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1. Help Close Figure 6 6 The TOXSWA Scenarios form for the example water sediment study Now the scenario for the water sediment study is defined the user can return to the main screen of TOXSWA and select the necessary elements the scenario and the water layer on the Run Components tab The other elements on the tab Substance Application Scheme and Initial conditions for pesticide are discussed in Sections 6 3 6 4 and 6 5 6 3 Definition of the substance Substance parameters need to be entered at the Substances form see Section 4 8 which is accessed from the Run components tab on the main form Table 6 2 lists the parameter values of the substance of the example water sediment study Alterra rapport 586 165 Table 6 2 Substance parameter values of the example water sediment study Parameter Value Molar mass g mol 418 9 Saturated vapour pressure Pa 1 7 107 20 C Solubility in water mg L 7 5 25 C Koe Lkg 76000 DT50 water d 0 84 DT 50 sediment d 590 0 6 4 Definition of the application scheme From the main form tab Run components the Application schemes form can be accessed An application scheme indicating that there are no applications in the water sediment study can be added This new application scheme can be named e g No Loadings No further action is needed because Spray drift entries are not yet created One can check that no Spray Drift events are in the se
2. Platforms explicitly tested Windows 98 MS Office 97 Windows NT Service pack 6a MS Office 97 Windows 2000 with installation of source files on D Windows 2000 MS Office 97 Windows 2000 MS Office 2000 without prior installation of Office 97 Windows XP MS Office XP without prior installation of other Office packages Windows XP German version Windows 2000 and Windows XP with alternated regional settings decimal symbol and digit grouping separator Access rights On Win98 WinNT Win2000 and WinXP machines it is necessary to have Administrator rights Pre installed software For Windows NT a MS Office package is needed A version of MDAC 2 7 or higher is needed to install the software The installer will halt when it is not present To obtain MDAC go to the Microsoft download center www microsoft com downloads and search for MDAC Or go to the Drivers section in the Download categories MDAC is listed as one of the popular downloads Currently Nov 2005 the most recent version of MDAC is 2 8 spl Hard disk memory TOXSWA requires 10 Mb for installation 184 Alterra rapport 586 Display Monitor with at least 800x600 at 256 colors Use as display setting Font size Small Fonts Processor The faster the better Remarks This installation package will also install a version of the IMAG drift calculator in the program files directory on your computer The IMAG drift calculator can be used from with
3. 986 0 986 0 986 0 986 0 986 0 986 0 986 0 Som 986 0 986 0 986 0 986 0 986 0 986 0 SEGA STO 2 987 00 987 00 987 00 987 00 Oe OO 987 00 QS TOs 987 00 STO 987 00 987 00 TOE OSM OUR 987 00 iS le PE AS HS SS PE ES ES eS SS tg i so toe UE gt EY o gt St Gn ie ar a Pe oe i a o BS A e SS SDR GDh Sor BS 85 Se So SDR 95 SDR JS SDR 85 So 04 04 04 04 04 04 04 04 04 04 04 04 04 04 04 NNNNNNNNNNNNNN ND 000 000 000 000 000 000 000 000 000 000 000 000 000 000 000 000500 001500 002500 003500 005000 007000 009000 012500 017500 025000 035000 045000 13 0 060000 14 0 085000 top 0 025000 SICA ICO AOS CIMA ES 1 12 RAET eG gt Ea e RO tw IG a coe A 0 000500 0 001500 0 002500 0 003500 0 005000 0 007000 0 009000 0 0 0 0 0 0 0 012500 017500 025000 035000 045000 060000 085000 top 0 025000 Lee A a A se SN gt ay oe Sah Tr Pos ib Di se DY e ET oe Fak gt Y e 2429008E 0 3066165E 0 3533046E 0 4064053E 0 4005998E 0 3280528E 0 2170050E 0 9194336502 ETA RO A AI 2621454E 0 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 4533236E
4. 3 25 8 o Bs E 10 15 0 50 100 150 200 250 300 350 400 450 Day number since 01 Jan 1985 Options E Difference between measured and calculated concentration in sediment V Total Difference yg dn 50 100 150 200 250 300 Day number since 01 Jan 1985 H Save as sl EX Clipboard B Print Close Figure 4 50 Graphs of differences between measured and calculated concentrations in water above and in sediment below Alterra rapport 586 145 5 Model parameterization 5 1 Introduction Subjectivity in the derivation of model inputs is often a major source of differences between model results Tiktak 2000 Boesten 2000 Therefore it is recommended to provide model users with strict guidelines and additional tools for deriving model inputs In Chapter 3 the technical entry of each parameter in the TOXSWA input files is discussed How to use estimation methods literature data or experimental data for the derivation of parameter values is discussed in this chapter for most of the parameters This concerns mostly parameters that have a geophysical or bio chemical meaning In the pesticide registration procedure several stages can be distinguished To minimize the model user subjectivity standard scenarios have been developed that represent realistic worst case conditions of the European agricultural environment with respect to surface water contamination FOCUS 2001 A stepped approa
5. 8951E 0 391 GEO 3 76E 01 3976E 01 3976E 01 Sod EN ek Be 106E 00 142E 00 181E 00 2 USERG OO 242E 00 265E 00 282E 00 296E 00 132E 00 132E 00 132E 00 adl SZARO DIO NEP EN REN LCN INN EE 283EF03 TIRES 165E 03 140E 03 124E 03 SOS 106E 03 LOTEFOS 22 dE FEOS ee EROS 22 REOS LL EOS SN EN KID Ja ENEN MS E A L63H 02 162E 02 o SOL 160E 02 ok 02 ples 02 6 LS 102 1758205 s 703 oS 0S o 7505 a a Se 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 63 3 3 5 2 thc output file Presence of the thc file Figure 3 11 is an indication for successful simulation of the hydrology part of the TOXSWA run It shows the monthly water balance elements and temperature of the water body The same table is also given in sum file For explanation of the numbers in the thc file the reader is referred the table Water balance elements and temperature of the water body in the sum file 986 Jan 30 0 0429 Zelk O30 Oz sil 2 496 09 10 5 986 Feb 149 0 4668 1509 OSL 0 36 114 2689 O2 10 5 986 Mar 14 0 0506 Ot 0 30 OSL 4 162 U Ad 986 Apr 3 0 0429 0 4 0 30 O30 2 58 4 4 14 8 986 May 0 0 0429 OO Ovens O OS 0 2 12 Sol 19 0 986 Jun 0 0 0429 0 0 0 350 0 30 2 12 Sol 22 8 986 Jul 0 0 0429 OER ORO OSO 2 12 Sell 29 986 Aug 0 0 0429 0 0 030 0 30 2 12 Sell ABe 986 Sep 0 0 0429 00 OS 0 30 2 12 S
6. mwl Mass balance of selected segment of the water layer as a function of time msa Mass balance of the top layer selected of the entire sediment all sediment subsystems of water body as a function of time ms1 Mass balance of the top layer selected of the sediment subsystem under selected segment of the water layer as a function of time mob Monthly water and mass balances Distributions dba Distribution of substance in water layer and top layer selected of sediment as a function of time db1 Distribution of substance in water layer and top layer selected of sediment as a function of time at selected segment of water layer 3 3 Description of input and output files 3 3 1 The TOXSWA input file txw The txw file contains values for all parameters needed to execute a simulation run In the header of the file the model and GUI versions and some general information about the run inputs are given The information in the header is not read by TOXSWA so it does not affect the run The file is divided into five sections e Run characteristics e Definition of water layer and sediment e Hydrology of water bodies Alterra rapport 586 25 e Pesticide loadings e Substance properties An example of a txw file is shown in Figure 3 1 In Table Al in Appendix 2 all parameters in the txw file are listed with their units including a short description and the range of values that can be entered The same information except the range
7. made between the isotherms for sediment and for suspended solids Different values for the Freundlich sorption parameters for suspended solids and sediment can be entered You can fill in either K m or the Ko the other value is calculated Oc automatically with the aid of the formula Koc 1 724 K see Section 5 6 TOXSWA Substances Browse Substances Dummy compound D_sw Dummy compound E_sw Dummy compound F_sw Dummy compound G_sw Dummy compound H_sw Dummy compound _sw M Edit Substance General Sorption Transformation Cade F Ww Bt Comments Name Dummy compound H_sw Molar mass g mol 300 00 Saturated vapour pressure Pa 1 000E 7 measured at C 20 0 Molar enthalpy of vaporisation J mol 95000 0 Solubility in water mg l 1 000E 0 measured at C 20 0 Molar enthalpy of dissolution J mol 27000 0 Diffusion coefficient in water m d 4 30E 5 Help Close Figure 4 25 Tab Sorption of the Substance form with the option General In the second part only a coefficient describing the slope of the sorption isotherm based on the dry mass of macrophytes has to be filled in Alterra rapport 586 123 Edit Substance General Sorption Transformation Freundlich sorption on sediment and suspended solids Bien General Sediment Suspended solids C General Kom L ka 200 00 350 00 Koe L ka 344 80 603 40 Freundlich exponent oo fs Ref concen
8. Oye a 000 odd VOE ORGELS TS OOS ZEGE 0 124 0 12 0 00 0 124 O0 166H 07 0 100E 03 ges eS A eas Udo 0 12 000 Ol 166 Oee IEA Ol LOGES tac Oli ZE 0 109 Cie TL USO OOS OS A a O OLON ORNE deel ee Ions Oa O 010 GO O US TEO OORD PRL OO 0 094 0 09 0 00 0 094 0 519E 07 0 100E 03 TeBe BED Alterra rapport 586 ope 003 003 004 004 005 005 006 006 007 008 010 01 012 014 016 018 021 023 026 030 034 040 046 053 062 073 088 105 129 Ted 67 2 00EG 0 09 OO OSE OSLO OW ODIA 15 059 SLO ZI 5 tet ONES 0 08 O00 O07 0 15352 06 0 VOA 15 030 32239291 O Ol 0 07 OO OL O 2295 06 OPA 154136 SOON 4127 0 064 0 06 0 00 0 064 0 423E 06 0 997E 04 IAS SSU OTS 3 0 056 0 06 0 00 0 056 0 850E 06 0 994E 04 75 480 3451 153 OA 0 05 0 00 0 049 0 191E 05 0 986E 04 19 050 S527 5203 0 041 0 04 OOO OF 0415S 0N502h OS 0 OA 77 690 3604 893 OO Sd 0 03 0 00 0 034 0 165E 04 0 892E 04 84 060 3688 953 w 0028 0 03 0 00 00 0 7951 04 0 52 04 LAS TS SOI US Boundary condition for watercourse E Distance from weir in upstream direction m 1000 000 os Water depth at upstream end m 8 ORS ON E Note that waterdepth at downstream end of the 100 0 m long watercourse equals 0 311 m according to the calculated backwater E curve in the 1000 0 m long representative channel Flow Profile and Froude Number in Representative Channel Key to columns in table EEE ALG NGS Step number 2 Dis Distance fro
9. 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 LOIL SOA 2962996E 04 5148885E 04 8035040E 04 ia TAOS 1636603E 03 2206943E 03 AIO 0S SNZ SOS 4271874E 03 Alterra rapport 586 EA RADA SR AD e o DA eo HE SE os O e El o E o 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 7304422E 10 1546684E 09 AGT TALS OS 4194291E 09 6122940E 09 8543068E 09 1152024E 08 1506075E 08 1894985E 08 2229918E 08 A o is AS SED a a Ms E o do A 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 3 3 7 2 cs1 output file The cs1 file Figure 3 15 gives concentrations in the sediment for the selected sediment subsystem as a function of time and depth In the header is specified under which segment of the water layer the sediment subsystem was selected A description of the columns is given in the header of the file under Key to columns in table 2 Oe AAA A A ne KE ee HEHH H d HIER HH di FOCUS_TOXSWA v2 2 1 Se did Ht HH Ht tt t
10. 0000E 00 0000E 00 0000E 00 0000E 00 1274E 02 Sua ZN ZE OZ LA 0 10 wltot oo N25 paa pala pS JUL whtots SL ga Silo Sis CTO IO O ODO 4 User s guide for the TOXSWA Graphical User Interface 4 1 Introduction This chapter gives an overview of the TOXSWA Graphical User Interface which is an integrated environment for data storage and data retrieval model control and viewing the output data Figure 4 1 SWASH User Interface A model Figure 4 1 Overview of the TOXSWA modelling system and its relations with SWASH and the MACRO and PRZM models SWASH TOXSWA database The user can access the system through the Graphical User Interface which is available for Windows 98 NT 2000 XP The Graphical User Interface is linked to a relational database SWASH TOXSWA database for easy data access The Graphical User Interface generates the input files for the TOXSWA model and calls Alterra rapport 586 89 the model To be able to run TOXSWA in its transient flow mode the model needs input from either the MACRO model or the PRZM model The SWASH Graphical User Interface helps the user to compose consistent runs for this sequence of models The summary output of TOXSWA can be viewed via the TOXSWA Graphical User Interface More comprehensive outputs Reports can be viewed with the Graphical User Interface as well It is clear this system is rather complex With the TOXS
11. 44 58 64 68 72 73 84 89 89 92 92 92 93 94 95 95 4 5 General properties of the TOXSWA GUI 4 6 Projects form 4 7 Main form TOXSWA project project_name 4 7 1 Status bar of the Main form 4 7 2 Main buttons of the Main form 4 7 3 Browse box of the Main form 4 7 4 Run Components tab 4 7 5 Lateral Entries tab 4 7 6 Simulation Control tab 4 7 7 Output Control tab 4 7 8 Run Status tab 4 8 Editing Scenarios 4 8 1 The Scenarios form 4 8 2 The Water layers form 4 8 3 The Sediment form 4 8 4 The Meteo stations form 4 8 5 Hydrology Pond and Hydrology Watercourse forms 4 9 Editing substances 4 9 1 Substance form 4 10 Editing Application schemes 4 10 1 Application scheme form 4 10 2 Spray drift events form 4 11 Running the model 4 12 Creating graphs 4 12 1 Viewing output 4 12 2 Manipulating the graphs 4 12 3 Comparing two simulations 4 12 4 Comparing a simulation with experimental data 4 12 5 Plotting graphs showing differences between simulated and measured concentrations in water and in sediment Model parameterization 5 1 Introduction 5 2 Run characteristics 5 3 Definition of water layer and sediment 5 4 Hydrology of water bodies 5 5 Pesticide loadings 5 6 Substance properties Simulating a water sediment study with FOCUS_TOXSWA 6 1 Introduction 6 2 Definition of the scenario 6 2 1 Water layer 6 2 2 Sediment layer 6 2 3 Temperature in the meteo data file 6 24 Composition of the scenario 6 3 Definition of the
12. 5 6 1 n 8 with A tortuosity factor m m porosity m m Note that the Dutch scenarios Beltman and Adriaanse 1999b and the EU scenarios FOCUS 2001 have been parameterized with the results of a literature compilation of Leistra 1978 and not with Boudreau see also Appendix 5 1 In the Help of FOCUS_TOXSWA 2 2 1 release Dec 2005 a method recommended for saturated soils is suggested See Appendix 5 for details and comparison with Boudreau s method Alterra rapport 586 153 raomwb mass ratio organic matter of dry sediment material as a function of depth Table 5 2 lists measured values of organic matter converted to carbon content as a function of depth As a rule of thumb one multiplies the organic matter content by 0 58 to obtain the organic carbon content or multiply by 1 724 to convert the organic carbon content into the organic matter content This multiplication factor is in accordance with FOCUS FOCUS 2001 Adriaanse et al 2002 report another recommendation They refer to research from STOWA 1997 demonstrating that for freshwater sediments the factor of 1 724 is an underestimation and that a factor of 1 97 is a better estimation This factor is based on linear regression between the total organic carbon TOC content and the loss on ignition of 38 Dutch freshwater sediments Idis dispersion length The dispersion length dis in the sediment is a measure of the length over which mi
13. Application pattern and deposition by drift on water surface Number of applications ke Appl No Date Hour Mass g ai ha 1 Areic mean deposition 1 05 Dec 1986 09 00 1000 0 927 Drainage or runoff entry route into surface water Catchment located upstream ha 8 2a Ratio catchment applied area total area 0 00 Contributing margin along watercourse for drainage or runoff m 100 0 Contributing margin along watercourse for erosion m 9 20 0 Maximum hourly fluxes and concentrations in drained water Water E ALTO it lak TITO labs la Toda Leer Substance 2 0 17 ner Zal 17 2 mer mel dal LOSE LOE 0600 Substance Concentration LI 99 pgubel 23 Dec 1986 08 00 Maximum daily fluxes and concentrations in drained water Water o AOA Mn del ANSA O de SL delo 20 Jan 1987 Substance g 2 09 ie Ase 203 7 mer mr keel ZOE Substance concentration 2 160082 pgebsl 19 Dec 1986 Table Monthly input of substance into water body Total mass g entered in water body Year Month Upstr boundary Drift dep Drainage 986 Jan 0 000 0 000 16 990 986 Feb 0 000 0 000 OSO 986 Mar 0 000 0 000 5 949 1986 Apr 0 000 0 000 15266 1986 May 0 000 0 000 0 000 1986 Jun 0 000 0 000 0 000 986 Jul 0 000 0 000 0 000 986 Aug 0 000 0 000 0 000 986 Sep 0 000 0 000 0 000 986 Oct 0 000 0 000 0 000 986 Nov 0 000 0 000 S4926 1986 Dec 0 000 0 1085 109 068 1987 Jan 0 000 0 000 67 385 LIST Feb 0 000 0 000 So LIS 1987 Mar 0 000 0 000 24 026 987 Apr 0 000 0 00
14. H Sao ott HR TOXSWA v2 1 2 F2 H tt tt ttt HIER Ft Het FH HR HH 10 Nov 2005 a H tt tt tt HH te PERE THEE AR ki tt EEEH H A tH t tt tt Copyright Alterra Compiled with VisualFortran v6 6 0 TOS One Xan enc SUROESTE ie SS ak al i lag 46 eh eS WARE RENES AA ASS A A EE AS AS en ET Ee oe ae oe ee Alterra Wageningen UR http www alterra wur nl ONB Om 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID 00002d_pa File name 00002d_pa csl Concentrations and distribution percentages for the selected sediment subsystem as a function of time and depth Sediment subsystem under segment 10 of the water layer middle of segment is at 95 000 m in water body Thickness top layer is 50 00000 mm upper 12 sediment segments Key to columns in table 1 Dat Hr Date and hour ee MS O ee A EE E A O MEE ee E OEE ME VE E me Die tr o AS E Time d 3 segm Segment number in sediment subsystem label top indicates depth weighted average for upper 12 segments 4 zed Position of middle of segment in the sediment m by oR Total mass concentration of substance in sediment segment g m3 Ga eiis Mass concentration of substance dissolved in pore water g m3 dea 29 Mass concentration of substance sorbed to solid phase g g A ee ee ee ee ee ee ee ee ee ce EI ae ops epg op E dl 2 3 4 5 6 7 E DEE E segm zcd ENS
15. K Manning m 1 3 s Alpha Figure 4 23 Representative channel form 4 9 Editing substances The Substances form is accessible from the Run Components tab of the Main form Press the button behind the pick list of the option field Substance in the Main form The Edit Substance section on the lower half of the form consists of three tabs The tabs are described below 4 9 1 Substance form General tab In this tab Figure 4 24 the user enters the general substance properties A unique code and the substance name must be introduced into the code and name fields of the Insert box that pops up when you press the button of the navigator or copy an existing substance The following parameter to be introduced is the molar mass mamol TOXSWA also needs the saturated vapour pressure psa the temperature at which this parameter is determined psaf the molar enthalpy of vaporisation mepsat the solubility of pesticide coso the temperature at which the water solubility is obtained eso the molar enthalpy of dissolution eso and the diffusion coefficient in water Adfy Alterra rapport 586 121 TOXSWA Substances Browse Substances Dummy compound D_sw Dummy compound E_sw Dummy compound F_sw Dummy compound G_sw ID ummy compound H_sw Dummy compound _sw wlm el el Edit Substance General Sorption Transformation Code E B Comments Name Dummy compound H_sw Molar mass g mol 3
16. Ord Time d 35 Oe Total water flow in representative channel m3 d 4 huni Uniform flow depth m Sn JG Water depth on weir crest m Gs Jalore Water depth at upstream end m 7 h end Water depth at downstream end m 8 Fr_up Froude number at upstream end A 1 2 3 4 5 6 7 8 4 Det HE E Ore huni her hbe h_end aR nf jn ee Ed teo ES 01 Jan 1986 00 00 0 000 0 371E 0 0 026 0 00 0 30 ORS 0 000 01 Jan 1986 01 00 0 042 0 371E 0 0 026 0 00 0550 O53 0 000 01 Jan 1986 02 00 0 083 0 371E 0 0 026 0 00 0 30 ONS 0 000 O Tan LENS IO SE 00 Q 125 0 3750 0 026 0 00 0 30 ORS 0 000 01 Jan 1986 04 00 OLO 0537112550 0 026 0 00 0 30 0 3 0 000 01 Jan 1986 05 00 0 208 Wasa 0 026 0 00 0 30 0 3 0 000 01 Jan 1986 06 00 Os250 Ws silos 0 026 0 00 0 30 OFS 0 000 Qil J20 1 98507300 O 292 037 0850 0 026 0 00 0 30 O33 0 000 IOA LIEZ Ass Os Sa 0 026 0 00 0 30 OFS 0 000 VOA NITO oe Oy 037100770 0 026 0 00 0 30 ORs 0 000 3032199723800 A954 958 0 S 719550 0 026 0 00 0 30 0 0 000 Ot MEL VOO OO A95 000 0 S718550 0 026 0 00 0a SO OS 0 000 Figure 3 12 Example of rc1 output file of FOCUS_TOXSWA Alterra rapport 586 65 3 3 6 2 rc2 output file The rc2 file contains the input data of the representative channel and weir Figure 3 13 It contains the calculated backwater curve in front of the weir at times selected for output via urve and teurvedate in Section 2 of the txw file The water depth calculated at the upstream end o
17. Serial number 1 Date Hour dd mm yyyy hh 2 dummy value in runs that use drainage or runoff file Spray drift calculation Dosage kg ha 1 0000 FOCUS drift calculator Drift depositi ne 1 540E 1 edel dy IMAG drift calculator Drift percentage 1 540E 1 Help Close Figure 4 29 The Spray drift events form 411 Running the model The model simulations have to be done from the Main form which shows all the runs in the selected project in its Browse box By default all runs in the project are selected for execution By double clicking a run in the Browse box the run is deselected for execution and vice versa The Selected indicator will change from Yes into No When you want to select or deselect all runs in the project select or deselect all runs by clicking Runs in the status bar in the Main form and then click select all runs or deselect all runs Before starting to run the model the wished output files can be selected By default only the minimum number of output files is selected ie the ech sum and err Alterra rapport 586 127 file for all runs The tick box All files for graphical output selected on the TOXSWA Project projectname form is an option controlling the project i e for all runs in the project all the files needed to see the pre defined graphs in the GUI are generated The tick box overrules selections made for individual runs via th
18. The time step for the sediment de twb is default set at 600 seconds Using 600 seconds for de twb usually results in a stable and positive solution of the differential equations for mass conservation at all concentration levels The TOXSWA program verifies whether the selected time step is sufficiently small to fulfil the positivity conditions i e to result in a positive solution of the mass conservation equations for the sediment implying a positive concentration If de twb is too large the program stops with an error message on screen and repeated in the err file the user should decrease the time step for the sediment The time step can be halved until it fulfils the requirements of a positive solution of the mass conservation equations for the sediment Note that when a water sediment system is simulated i e the hydrology option op_vafl 0 the calculation time step for sediment is used for the water layer as well Therefore the time step to solve the mass conservation equation for the water layer equals the time step to solve the mass conservation equation for the sediment sub systems Again the program stops if no convergent solution can be found and the user needs to decrease the time step See also the discussion in Section 5 3 concerning the number of segments in sediment 5 3 Definition of water layer and sediment The definition of the water layer and the sediment concerns the dimensions and the composition of the water and t
19. bar at the top of the form or the buttons at the form can be used to navigate through the GUI 100 Alterra rapport 586 ES TOXSWA project project_H_sw File Edit Scenario View Runs Graphs Help Projects View Make inputfile Calculation amp Hep Close _RunD Selected FOCUS step 3run Name Results E 00001p_pa Yes True Cereals winter_D4_Pond Available O0002d_pa Yes True Cereals winter_D6_Ditch Available gt 00003s_pa Cereals winter_R1_Stream Available Edit Run B Report we Graphs Run Components Lateral Entries Simulation Control Output Control Run Status Run name Cereals winter_R1_Stream Bi Comments Scenario Pesticide and scenario dependent Name R1 Meteo station Weiherbach Substance Dummy compound H_sw Water body Stream Application scheme loop N Cereals winte Po ro Gi Crop id Initial conditions for pesticide Figure 4 6 The Main form of the TOXSWA GUI The lower section of the main form consists of five tabs i e a Run Components tab a Lateral Entries tab a Simulation Control tab an Output Control tab a Run Status tab These tabs are described in more detail in Sections 4 6 4 to 4 6 8 4 7 1 Status bar of the Main form The status bar contains six menus File EditScenario View Runs Graphs and Help which will guide the user to different processes Clicking each of these menus will show a grey box with options for different proc
20. kdomwbl 44 08353 coobkomwb 1 00E 03 exfrwb 0 90 dt50wl 0 84 tedt50wl 293 15 aetf 54000 0 dt 50w b 590 00 tedt50wb 293 15 kdfw 43 0 EN 198 ILE E WILE e LIE E Viaje e ase e unae unit tte 8 Uae e D OF FILE Alterra rapport 586
21. leaching models using the same laboratory data set Agric Water Mgmt 44 389 409 Boudreau P B 1996 The diffusive tortuosity of fine grained unlithified sediments Geochimica et Cosmochimica Acta 60 3139 3142 Bowman B T and W W Sans 1985 Effect of temperature on the water solubility of insecticides J Environ Sci Health B 20 625 631 Alterra rapport 586 171 Crum S J H A M M van Kammen Polman and M Leistra 1999 Sorption of nine pesticides to three aquatic macrophytes Arch Envirn Contam Toxicol Vol 37 no 3 p 310 317 Chow Ven Te 1959 Open channel hydraulics McGraw Hill 680 pp Fischer H B E J List R C Y Koh J Imberger and N H Brooks 1979 Mixing in inland and coastal waters Academic Press New York FOCUS Soil Modeling Working Group 1997 Soil Persistence models and EU registration DG VI European Commission Doc 7617 V1 96 Brussels 74pp FOCUS 2001 FOCUS Surface Water Scenarios in the EU Evaluation Process under 91 414 EEC Report of the FOCUS Working Group on Surface Water Scenarios EC Document Reference SANCO 4802 2001 rev2 245 pp FOCUS 2005 Guidance Document on Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in EU Registration Report of the FOCUS Work Group on Degradation Kinetics EC Document Reference Sanco 10058 2005 version 1 0 431 pp Holterman H J and J C Van de Zande draft 7 Feb 2003 IMAG Drift Calculator v1 1 User
22. sediment systems Test Guideline 308 Adopted 21 April 2002 Roelofs J G M en F H J L Bloemendaal 1988 Trofze In F H J L Bloemendaal en J G M Roelofs Eds Waterplanten en waterkwaliteit Stichting Uitgeverij Koninklijke Nederlandse Historische Vereniging Utrecht p 113 125 Roller J A te F Van den Berg and P I Adriaanse Sept 2002 Surface WAter Scenarios Help SWASH version 1 9 Technical report version 1 2 Alterra rapport 508 Alterra Wageningen The Netherlands Smit A A M F R F van den Berg and M Leistra 1997 Estimation method for the volatilization of pesticides from fallow soil DLO Winand Staring Centre Environmental Planning Bureau Series 2 Wageningen STOWA 1997 Bepaling van organische stof gloeirest en organische koolstof Stichting Toegepast Onderzoek Waterbeheer rapport 97 30 Utrecht Tiktak A 2000 Application of pesticide leaching models to the Vredepeel dataset II Pesticide fate Agric Water Mgmt 44 119 134 Tomlin C Ed 2003 The Pesticide Manual 13 Edition Crop Protection Publications Royal Soc Chemistry Cambridge UK Tucker W A and L H Nelken 1982 Diffusion coefficients in air and water In Handbook of chemical property estimation methods Environmental behavior of organic compounds Chapter 17 W J Lyman W F Reehl and D H Rosenblatt Eds McGraw Hill Book Company New York Van den Berg F P I Adriaanse and J A te Roller 2005 Surface WAter Scenarios H
23. simulated period too short for calculation of PECsed50 simulated period too short for calculation of PECsed100 Maximum Time Weighted Averaged Exposure Concentrations in sediment in ug kg 1 DW Concentration Date Daynr TWAECsed 45 824 31 Mar 1987 14 00 455 TWAECsed2 45 818 01 Apr 1987 02 00 456 TWAECsed4 45 786 02 Apr 1987 06 00 457 TWAECsed7 45 717 04 Apr 1987 10 00 459 TWAECsed14 45 635 LOAD 137 11300 465 TWAECsed21 45 314 o LIST 21 2000 469 TWAECsed28 44 954 14 Apr 1987 18 00 469 TWAECsed42 44 465 16 Apr 1987 09 00 471 TWAECsed50 44 190 Tor 1967 00700 ATA TWAECsed100 41 430 21M IE OSE 00 482 The run time was 1 minutes and 53 seconds Figure 3 5 Example of sum output file of FOCUS_TOXSWA Alterra rapport 586 3 3 4 2 ech output file This file reproduces the input of TOXSWA s input file Figure 3 6 Ad Hd HH HH HER HH HH Hd FOCUS _TOXSWA v2 2 1 X HH HH tt Ht Ht HH ER tt HE TOXSWA V2Z L 2 F2 ia HH Ht tt HHH HER Ft tee FE FH HH 10 Nov 2005 x HH Ht tt Ht Ht tt ttt FEE FREE HE x Ht Hd He HAER HH HF He tt Copyright Alterra Compiled with VisualFortran v6 6 0 SO ad Re a ee ae ee a i eS E E S ee a a a SO a a a a a PS SE SB ee ee ee ee SETOR al EXT seam ees a inh SU i CS WA EE ES MS 7 to etn tn tn Tt A dn nn tn tn tn Fe tn E Ten ae Ten en ea cr aaa eo a tn le lie tn ah tn tn En TEN Alterra Wageningen UR http www alterra wur nl PO Box 47 6700 AA Wageningen The Netherlands SO a en en
24. solubility mesoj have to be specified Alterra rapport 586 39 Sorption The slope of the linear isotherm for sorption of the pesticide to macrophytes K has to be entered The slope of the Freundlich type isotherm for sorption to suspended solids based on the organic matter content amp domssdit Koms the reference concentration around which the measurements for of the isotherm have been done coobkomss c and the Freundlich exponent for sorption to suspended solids exfrss a have to be entered The Freundlich type isotherm for sorption is used for the sediment as well So the same parameters as above but then applying to the sediment kdomwb1 coobkomwb and exfrwb Kom ss Saws My have to be entered Transformation The DT50 for the water layer df50wl and the temperature at which it is measured tedt50wl have to be entered The Arrhenius activation energy aet adapts the transformation rate in water and the transformation rate in sediment from the observed temperature to the rate at the temperature of the system temperatures read from met file see 3 3 2 In addition the DT50 for the sediment layer d 50wb and the temperature at which it is measured dt50wb need to be specified Diffusion The diffusion coefficient of the pesticide in water kdfw D has to be inserted 3 3 2 Meteo input file The meteorological input file contains the average temperatures per month in the water body system An example of a met
25. 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 05 00 0 208 0 0000E 00 0 1000E 20 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 06 00 0 250 0 0000E 00 0 1000E 20 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 07 00 0 292 0 0000E 00 0 1000E 20 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 503490 15121200 ASAS SAVIO 15224108 OO ODO EEE O OMO ONO EE OS 10 OOOO OO 1 ES En ON SE OOS ONE O OA Elite OO OPO O SST 02 SOEP SE 0A SA oie OIS EI OIO gt 152511208 ORO OVO EER VOM Ors 67 6H OS Y OWN 0 ESCASO 2 SAMA OOS ONE OSM OMO OO OEE OO MERS EE LOS OP OS MODS HO 30 Apr 1987 23 00 484 958 5618E 06 1528E 06 0 0000E 00 0 3676E 03 0 0000E 00 0 9860E 01 2434E 00 3672E 03 0 0000E 00 2553E 00 2230E 03 0 5318E 02 01 May 1987 00 00 485 000 5624E 06 1529E 06 0 0000E 00 0 3676E 03 0 0000E 00 0 9864E 01 2434E 00 3672E 03 0 0000E 00 2553E 00 2230E 03 0 5292E 02 Figure 3 17 Example of mwa output file of FOCUS_TOXSWA Alterra rapport 586 i MARES eS TR A ee d E AE A A A E die cata tee AO O E e An A a JO E ES Ale Alle A en A alo A HEEE EEEH Ht Ht EEEE HH tt HHH FOCUS_TOXSWA v2 2 1 HH Ht tt Ht HH HH ER tt HE TOXSWA v2 1 2 F2 HH Ht tt HHH HRE F
26. 0000E 00 0000E 00 0000E 00 Figure 3 20 Example of ms1 output file of FOCUS_TOXSWA Alterra rapport 586 OD OO OI IEN IEN 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 EDAD SAO EE DICO 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 STO 62 PLC O2 oo PIO 3716E 02 EN NEN ID DD o SP en a 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 EDAD SAO Car 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 1423E 02 1424E 02 1424E 02 1425E 02 DIO O OO SOMO 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 ss 03 2984E 03 2 SS 2986E 03 DADO DO DON 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 USO OS RISE OIS STE SS OS e PND E E a e JE o AK Cr Cra per fa Be Es Jae io 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 1457E 02 1456E 02 1455E 02 1454E 02 83 3 3 10 Distribution output files 3 3 10 1 dba output file The dba file Figure 3 21 shows the distribution of substance between the water layer and the selected top layer of the sediment as a function of time for the entire water body system A description of the
27. 02 o IST LEZIA 398660E 0 831263E 0 39397 7H 0 966526E 02 Figure 3 15 Example of cs1 output file of FOCUS_TOXSW A 3 3 8 Drainage Runoff output file 3 3 8 1 mfl output file ee E car e 0 ci SI al Sr a Lar o e gt EY tes o PY e RAR AA A A A EE 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 9491700E 03 pL NOAZ AO 72929 o SESO 3834302E 02 5085864E 02 6419944E 02 SIS OE OZ 850932358502 8387768E 02 6868776E 02 4543656E 02 2834960E 02 DSZ O E OZ 4117517E 03 5488805E 02 RAR i PY ct SIG Ns E Sr je ib De eG CEE tee Pe d DA DO A E oe Bk DN Se in De oa Uae Gr Big ey ie Fe D SE NSD 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 4954667E 08 1024306E 07 15286865507 2001506E 07 2654821E 07 pS SLAM O 7 3861495E 07 4441867E 07 4378415E 07 SDO 1015 0 7 SO ON 1479849E 07 6333005E 08 2149344E 08 286591565307 The mfl file Figure 3 16 contains the pesticide mass fluxes of input by drainage or by runoff depending on the scenario as function of time A description of the columns is given in the header of the file under Key to columns i
28. 1 1 1 000 800 000 0 600 0 600 0 090 2 1 000 800 000 0 600 0 600 0 090 3 1 000 800 000 0 600 0 600 0 090 4 1 000 800 000 0 600 0 600 0 090 5 2 000 800 000 0 600 0 600 0 090 6 2 000 800 000 0 600 0 600 0 090 7 2 000 800 000 0 600 0 600 0 090 8 5 000 800 000 0 600 0 600 0 090 9 5 000 800 000 0 600 0 600 0 090 10 10 000 800 000 0 600 0 600 0 090 DT Lose 800 000 0 600 0 600 0 090 12 10 000 800 000 0 600 0 600 0 090 Alterra rapport 586 51 is 20 000 800 000 0 600 0 600 0 090 14 30 000 800 000 0 600 0 600 0 090 End_Table OESO OEL ldis m Table IniConSediment Layer castwb g m 3 il 0 000 2 0 000 3 0 000 4 0 000 5 0 000 6 0 000 7 0 000 8 0 000 9 0 000 10 0 000 11 0 000 12 0 000 13 0 000 14 0 000 End_Table Section 3 Hydrology of water bodies 0 000 qseif m3 m 2 d 1 0 000 Collo erm i Oj weve IL 0 op_hd 600 000 delthy s 0 500 wdh m 1 op_powc 1000 000 lerc m C 100E 03 DELS IEC de 1 000 wibotrc m 0 100E 04 Ss 3 706 Qbaserc m3 d 1 2 000 arrc ha 0 400 crestbodyrc m T500 wicrestrc m 25 000 kManim m 1 3 s 1 1 200 alphaen Sa lOG Qbasewc m3 d 1 2 000 arupwc ha 100 000 leplot m 20 000 leerwc m Section 4 Pesticide loadings opm ssp Ear Cheaicic op_lddr Drainage 0 op_ldro Runoff ntldsd 20 Dec 1899 00 chat ldsd 000 000 applot g ha 1 NO mldsd mg m 2 0 000 stxldsd m 00 000 enxldsd m 2 opl Lody 52 Alterra rapport 586 0 op_1ddrhd 0 00
29. 1 1 runs with multiple applications with different rates and rerun them if the sequence was mixed up The error can be noticed by inspecting the summary output files of MACRO PRZM m2t p2t files and of TOXSWA sum files and can be repaired by applying the Workaround advised in the bug descriptions of SWASH and TOXSWA mentioned abov s3 A Help function is now available s4 Input concerning lateral entries was located at the Application schemes form in v1 1 1 In v2 2 1 a new tab Lateral entries has been added at the Main form Alterra rapport 586 187 s5 In v1 1 1 the possibility to change the time step for sediment in the GUI was unintentionally locked in v2 2 1 this time step can be changed s6 Graphs of calculated residues between measured simulated concentrations can be generated concentrations and Scenario data No changes 188 Alterra rapport 586 Appendix 4 The txw input file for FOCUS_TOXSWA with recommended segmentation of the sediment in case of substances with a Koc higher than 30 000 L kg The values that have to be changed from the standard FOCUS segmentation are indicated in bold We we Peg E TN A A ee Ge eee ee ae ABs DO A 5 ip k op_hyd 0 TOXSWA input file for TOXSWA model version OS WAM PEREZ made by TOXSWA GUI version TOXSWA GUI 2 5 File name C SwashProjects c project _H_ sw toxswa 10003slpa txw Contents Be Iie sexe TOSVA Lol 2
30. 401359E 06 1 864856E 07 98704220630 2 267787E 06 243334E 07 98704220730 SMS ZAANSE OG 8S8 0M ETON 98704220830 4 379481E 06 2 40108E 07 98704220930 Se AISI Da OA SO 198704221030 4 201469E 06 De SOS m0 7 198704221130 IPSO 0IG 7 093006E 08 198704221230 2 199042E 06 1 20562 1107 Figure 3 3 The MACRO output file containing hourly water and pesticide fluxes entering the water body by drainage for TOXSWA 42 Alterra rapport 586 Filename Generated by Created PRZM3 output file TOXSWA input file C SwashProjects project_H_sw przm cereals_winter 00003 C1 P2T SEE OCW SB R ANOS NERO Ore OMZ tz 00 20030422094634 271 PRZM3 input files x Clas Trikes BUSCH TNF ed Met file Rlnoirr met Chemicals H_sw Ciojas Cereals Winter Seemee R1 PeEseripriome Selected 50th percentile year LOS Season Cie First Eller iojas autumn Oct Feb Selected 12 month period Od Oet LOG te S30 sep 1979 Application type ground spray Number of applications 1 Application Time YYYYMMDDHHMM Mass g ai ha 01 14 Nov 1978 09 00 1000 0000 bat Runoff Volume Runoff flux Erosion Mass Erosion Flux Infiltration Time YYYYMMDDHHMM mm h mg as m2 h kg h mg as m2 h mm h Ol Oce Lo7Te O s00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 1169E 01 Ol Oct 1978 02 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 1169E 01 01 0ct 1978 03 00 0 00
31. C Mass balance of pesticide in sediment Wv Print color area s black and white Help Close Figure 4 30 The Choice of Graph form 4 12 1 Viewing output The simulation results can be inspected in charts by pressing the Graphs button It is possible to view manipulate compare and print charts To select the chart you want to see mark its checkbox see Figure 4 30 The GUI shows the selected chart after pressing the View button By marking the check box Print colour area s black and white on the Choice of Graphs form graphs will be printed in black and white instead of colour Communal features of the various graphs are the Compare button refer to Sections 4 11 3 and 4 11 4 the square button with the magnifying glass This gives access to the graph enlarged to the full screen size where several options concerning the definition and title of the axis the presentation of the markers copying and printing the graph are offered see also Section 4 13 2 the tick box Show markers in the left hand lower corner for showing or not showing the markers from which the graph is composed the Print button sending the graph to the default printer of your PC and the Close button closing the window and opening the TOXSWA Choice of Graph form 1 Water flux and mass flux from drainage and runoff The drainage flux or runoff flux is presented as a function of time in the top graph of the screen see Fig
32. Figure 4 3 and 11 an edit section with option fields shown in Figure 4 4 Browse Substances Test compound 1_sw 2_sw Test compound 2_sw A 3 usw Test compound 3_sw A d sw Test compound 4_sw A 5 sw Test compound 5 sw ts ES C le sw Test compound 6_sw sue IE ke Figure 4 3 The browse box of the Substances form v The browse box allows the user to scroll through the records of a table in this example substances The information in the edit box in the lower half changes when scrolling All browse boxes are complemented with a navigator consisting of Go to the first record in the table gt Go to the last record in the table Add a new empty record Delete a new record El Confirm changes post edit x Cancel changes Copy a record ER Copy When not all actions are permitted for the records shown in the browse box the buttons related to those actions are not present in the navigator E g when the project selected is a FOCUS Step 3 project prepared by SWASH adding deleting and copying of records is not permitted so then the and Copy buttons ate not present Sometimes options of the navigator are locked because they are not yet applicable For instance when a record has not yet been edited then the signs on the buttons Confirm changes and Cancel changes are grey instead of black Alterra rapport 586 97 Edit Substance General Sorption Transform
33. ORD ENE O2 OIIO OW 1 Osias il 4 Apr 986 0 302E 00 0 225E 02 0 680E 01 0 476E 01 5 May 936 Oo SO OLAZ 0 3713 OB OL 6 Jun O36 Oo SOOO OLO Oe STO O S OL l Jul 986 OS OR SE OIO ONRI EO 0 3701 0 hil Sus0 1 8 Aug O36 Os SO 01234402 0 3710 0 Sil SOL 9 Sep 986 ORS ON SEO OMR ONES EO 0 3710 0 E 10 Oee WO OS Oc 12334 02 0 3701 OSL OL JL Nov 986 0 303E 00 0 446E 02 0 135E 02 0 252E 01 12 Dec 986 OS OEE LOOP 053095038 0953502 0 378h 00 13 Jan 987 0 309E 00 0 306E 03 0 943E 02 0 382E 00 14 Feb 987 0 306E 00 0 205E 03 0 629E 02 0 567E 00 15 Mar IE Or SO or O0 O nA ZE O Asa 10 1711500 16 Apr SET DOLO 0 SEO OLLA 0 29210 Monthly mass balance of substance in water layer Key to columns in table ik m Name of the month 2 year Year 3 initial Mass initially present in water layer g 4 cuinsl Mass entered via lateral loadings g month 1 5 cuinub Mass entered via upstream end g month 1 6 cuinwb Mass entered from sediment g month 1 7 cuouwb Mass penetrated into sediment g month 1 8 cuoueb Mass flowed out at downstream end g month 1 9 cuoufb Mass flowed out at upstream end g month 1 OE o Mass transformed g month 1 des euro Mass volatilised g month 1 12 totmwl Mass remaining in water layer g Le ma Name code of table 1 2 3 4 5 6 7 mo year initial cuinsl cuinub cuinwb cuouwb Jan 1986 0 000E 00 0 170E 02 0 000E 00 0 000E 00 384E 01 Feb 1986 O 000E 00 Or 983E 02 0 000E 00 0 2625E gt 03 gt 3395 01 S Ma
34. Press the Graphs button to view graphs of 1 Water flux and mass flux from drainage or runoff 2 Water flux out of the water body and the water level in the water body 3 Residence time of water in the water body 4 Concentration of pesticide in water and in sediment as a function of time 5 Concentration of pesticide in water and in sediment as a function of distance or of depth respectively 6 Distribution of pesticide between the various compartments 94 Alterra rapport 586 7 Mass balance of pesticide in water layer 8 Mass balance of pesticide in sediment 4 4 3 Special cases substances with Koc higher than 30 000 L kg The TOXSWA GUI selects the standard FOCUS segmentation with 14 segments in the sediment for FOCUS scenarios Section 2 of the txw input file of Appendix 2 For substances with a Koc of less than 30 000 L kg this leads to a stable and converging numerical solution of the mass conservation equations so to correct exposure concentrations in water and sediment For substances with a Koc higher than 30 000 L kg e g pyrethroids the numerical solution does not converge for the sediment nor for the water layer i e the calculated concentration in the sediment and in the water layer depend on the size of the segments in the sediment Therefore the GUI selects the FOCUS highKoc sediment segmentation for FOCUS Step 3 runs with substances with Koc values above 30 000 L kg This is indicated by a pop up message that appea
35. RunID Because the command line version is only suitable for experienced users the user is responsible for composing a run with consistent input from entry routes including spray drift deposition 3 2 Overview of input and output files The input for TOXSWA is organised in three input files The files are txw Main TOXSWA input file met Meteorological data m2t or p2t Lateral entries data of respectively drainage or runoff erosion The files plus the name of the meteo input file and the path and name of the drainage or runoff erosion input file are described in the Sections 3 3 1 to 3 3 3 The program produces a minimum of three and a maximum of 48 output files The echo file the summary file and the file containing all warnings and errors are always created All other files are optional and present data for the entire system at specific locations An overview of all output files is listed in Table 3 6 Output that is given for selected segements in the files cs1 mw1 ms1 and db1 can be given for up to 9 selected locations in the water body Then the file name extension changes allong for example for the cs files the extensions allocated are cs2 cs3 cs4 etc The numbers 1 to 9 are allocated in order of increasing water layer segment number When the option op_ yd in txw is 2 or 3 only the hdr binary file containing all data on hydrology is generated When op_hyd is hereafter set at 1 the hydrology res
36. SB3 670 00 0 770 0 770 0 060 A Vredepeel SB4 1500 00 0 360 0 280 0 020 1536 00 0 417 0 016 SOE Edit Building Block Building Black Code C3river_wS Bt Comments Basic parameters Dry bulk density kg m 1536 00 Tortuosity 0 364 Porosity 0 417 Mass ratio of organic matter kg kg 0 016 Help Close Figure 6 3 The sediment building blocks form for the example water sediment study Next the sediment layer can be defined Figure 6 2 by creating new sub layers Each sub layer contains a sediment building block and consists of a specified number of segments with the same thickness Note that you need to specify the entire thickness of the sub layer Therefore a sub layer of 0 05 m needs 5 segments to get a thickness of 0 01 m per segment It is advised to use thin segments of about 0 001 m in the top 0 005 m 0 5 cm of the sediment For compounds with high Koc values the thickness should be even smaller see Section 4 3 4 Because the Koc of the example substance is 76 000 L kg thin segments have been used For simplicity the same segmentation as for the FOCUShighKoc sediment is used except for sub layer 8 where 3 segment of 0 005 m have been defined instead of 2 segments of 0 005 m Alterra rapport 586 163 The total thickness of the sediment in the example water sediment study was 0 025 m 6 2 3 Temperature in the meteo data file The temperature in the water sediment system has to be specified
37. Scenarios form the user can access general data of the scenario data about the water layer the sediment layer the meteo station and the hydrology of the selected scenario 4 8 1 The Scenarios form In the Scenarios form Figure 4 13 the user can specify general information on the site of the scenario such as the name and the exact location if applicable A new scenario can be added with the button of the navigator or an existing scenario can be copied These options are not available when the project is a FOCUS Step 3 project prepared by SWASH After pressing the button in the appearing insert box the user must specify a unique code for the scenario and also a unique scenario name The country name not required can be specified in the Edit Scenario section Furthermore the user has to select a type of water layer a type of sediment a meteo station and a type of hydrology Please notice that it may be necessary to create e g a new water layer and or e g new sediment and or e g a new hydrology before you can select one Then you have to add these items at the Water layer Sediment Meteo station or Hydrology forms before proceeding The longitude latitude and altitude of the scenario location may be specified not required note that the meteo station may be located elsewhere this can be specified at the Meteo stations form Section 4 7 4 The seepage rate expressed in mm d of the contributing neighbouring plot and the co
38. Substance H_sw Location D6 Meteo station Thiva Type of flow variable Type of water body watercourse ditch small stream Simulation period Skant Ul May 0994 Time step output h aal except hydrology output Calculation based on hourly drainage or runoff erosion data Entry routes Occurring Entry stretch water body m Simulated by Spray drift yes 1 007 100 00 Drainage yes SUP 100 00 MACRO Runoff Erosion no Run comments FOCUS Run Main physico chemical properties for substance H_sw Molar mass g mol 1 8 300 0 Saturated vapour pressure Pa 0 100E 06 measured at C 20M0 Water solubility mg L 1 ze VOOEFOL Measured at GC 2 20 0 Half life in water d 100500 measured at CCl g 20 0 Half life in sediment d 5 300 00 measured at C 20 0 Kom susp solids coef for sorption on organic matter L kg 1 58 00 Freundlich exponent ROO Kom sediment coef for sorption on organic matter is kem 8 58 00 Freundlich exponent A OO Kmp coef for sorption on macrophytes dry weight ile 8 0 00 Summary of water body system properties Water layer Bottom width length m SO 100 00 Side slope hor vert 0 00001 1 Macrophytes g dry weight m 2 bottom g 0 0 Suspended solids mg L 1 i SO Selected top layer of sediment Sediment depth m B 0 050 Alterra rapport 586 45 Average bulk density kg m 3 SO OPO Average porosity i 0 60 Average mass ratio org matter dry sed 0 09
39. The user can change its value in the shown option field TOXSWA Sediment layers Browse Sediment layers Focus Sediment Code F OCUS A FOCUS_highKoc Focus_highKoc Sediment A Vredepeel Vredepeel sediment Name Focus Sediment ER Cop zm m1 4 Sediment layer Browse sub layers in sediment layer Sub layer no _ Building Block code Thickness of sub layer m E 3 FOCUS SBI 0 01000 4 FOCUS SB1 0 03000 E 5 FOCUS SB1 0 02000 D 6 FOCUS SB1 0 03000 i B allel m Edit sub layer in sediment Dispersion length of all sub layers en E Dispersion length m 0 015 Sediment Building Block code FOCUS SB1 hd E Thickness of sub layer m 0 03000 No of segments 1 Help Close Figure 4 16 The Sediment layers form It may be necessary to create new sediment building blocks You then have to enter the Sediment Building Blocks form pick list behind the Sediment Building Block code option field before proceeding Figure 4 17 A new sediment building block can be added with the button of the navigator or an existing sediment building block can be copied and next edited For each building block values need to be entered for the dry bulk density of the sediment p ddwb porosity por tortuosity A tor and mass ratio organic matter in the sediment m raomwb om wb 114 Alterra rapport 586 TOXSWA Sediment Building blocks Browse Building Blocks B Build
40. and upward seepage is Weck Date and hour Bek Time d So Joel Mass missing in balance of all terms g m 4 bal Mass missing in balance of all terms as percentage of initial mass loadings adsorbed to eroded soil and incoming mass 5 initial Mass initially present in sediment subsystem g m 6 cuiner Mass entered adsorbed to eroded soil g m da SER Mass penetrated from water layer g m e US Mass entered via upward seepage g m 9 cuouwb Mass transported into the water layer g m 10 cuper Mass IES ies Mass tra 12 totmwb Mass nsformed percolated below sediment subsystem g m remaining in sediment subsystem g m g m Negative values indicate fluxes leaving the system 82 Alterra rapport 586 A oe cuiner cuinwl 12 totmwb VTZ OO 484 OSV 22 200 484 OS 2333 00 484 987 00 00 485 RL RD o a Y e 875 Sa 958 000 Pi PISS ye E Bs Be Joe we Oe a Jag le A EE en ne Jae ee 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 3485E 08 SS HS 3268E 08 RS ONES de PIT ge Ge Jas Wee AK gt JA AG Er TEE hen ie Jae te d 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 9380E 04 8840E 04 8794E 04 8282E 04 de GN e E Bus e Joe tee A ET Jaa ie A jer EE en Ak ee Je ae A 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00
41. averaged hydraulic residence time and momentary hydraulic residence time of water in water body Alterra rapport 586 131 4 Concentration of pesticide in water and in sediment as a function of time The concentration in water as a function of time can be viewed for all water layer segments The concentration in the sediment is given as a function of time for maximally 9 positions in the water body Figure 4 34 One can only view the concentration in the sediment if the output file for the wished distance has been generated i e the segment should have been selected at the Output Control tab of the Main form Concentrations at different positions in the water body can be viewed for water layer and sediment separately Via the option field Distance m the desired position in the water body can be selected from the pick list Total concentration of the substance concentration of substance adsorbed to suspended solids macrophytes or sediment and the concentration dissolved in water can be viewed separately as well Simply select or deselect the check boxes in the legends of the graphs Especially for substances with a high Koc gt 30 000 L kg it is interesting to examine the difference between dissolved concentration and total concentration in the water layer In this case non negligible amounts of the substance can be adsorbed to suspended solids when present Concentration of pesticide in water and sediment f t Dis
42. clb Xb Ol dan 1986 00700 0 000 1 0 000500 0 0000000E 00 0 0000000E 00 0 0000000E 00 01 Jan 1986 00 00 0 000 2 0 001500 0 0000000E 00 0 0000000E 00 0 0000000E 00 OlJan 1 886 00400 0 000 3 0 002500 0 0000000E 00 0 0000000E 00 0 0000000E 00 Onde 08600 00 0 000 4 0 003500 0 0000000E 00 0 0000000E 00 0 0000000E 00 Q uen Lees 000 0 000 5 0 005000 0 0000000E 00 0 0000000E 00 0 0000000E 00 Olden TOs 6 00 500 0 000 6 0 007000 0 0000000E 00 0 0000000E 00 0 0000000E 00 01 Jan 1986 00 00 0 000 7 0 009000 0 0000000E 00 0 0000000E 00 0 0000000E 00 Ol dan 1986 00200 0 000 8 0 012500 0 0000000E 00 0 0000000E 00 0 0000000E 00 01 Jan 1986 00 00 0 000 9 0 017500 0 0000000E 00 0 0000000E 00 0 0000000E 00 01 dan 1956 003 00 0 000 10 0 025000 0 0000000E 00 0 0000000E 00 0 0000000E 00 Olden Ose 00 O 0 000 11 0 035000 0 0000000E 00 0 0000000E 00 0 0000000E 00 OL oven 08600000 0 000 12 0 045000 0 0000000E 00 0 0000000E 00 0 0000000E 00 Blan 1050 0402 O 0 000 13 0 060000 0 0000000E 00 0 0000000E 00 0 0000000E 00 Olan SS 6200200 0 000 14 0 085000 0 0000000E 00 0 0000000E 00 0 0000000E 00 01 Jan 1986 00 00 0 000 top 0 025000 0 0000000E 00 0 0000000E 00 0 0000000E 00 Alterra rapport 586 71 cen do ea US eno o RD EEEN o ee o A 4 o hae Rae A O EA EI EC CI E ah UE UE JEM UE UE JEM Jem JEM JE JE UE VE UE Jan JEM May May May May May May May May May May May May May May May
43. columns is given in the header of the file under Key to columns in table 3 3 10 2 db1 output file The db1 file Figure 3 22 contains the distribution of substance between the water layer and selected top layer of the sediment as a function of time for the selected segment of the water layer The file is equivalent to dba A description of the columns is given in the header of the file under Key to columns in table 84 Alterra rapport 586 ER E AG OE BE Se Mer ke LE a ee EP E E A a ee REE IE TIE E HEEE HE Ht Ht EEEE HH Ht HHH FOCUS_TOXSWA v2 2 1 Ht tt tH tt HE tt Ht tt tt HH TOXSWA v2 1 2 F2 Ht tt ttt BEER oft THE PE TE 10 Nov 2005 tt tt Ht tt fF tet PERE HEER HEEE tt EHEH t tt HER tt tt tH HH Copyright Alterra Compiled with VisualFortran v6 6 0 Alterra Wageningen UR PO Box 47 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID 2 OOV jee File name 00002d pa dba Distribution of substance in water layer and top 0 050 m of sediment as a function of time Key to columns in table do Deele Date and hour Alterra rapport 586 Thee Ae Time d SO Total mass in water layer g 4 wldis Mass dissolved in water layer g 5 wlss Mass sorbed to suspended solids g 6 wlmp Mass sorbed to macrophytes g Ae MOTOR Total mass in selected sediment layer g 8 wbdis Mass dissolved
44. file is shown in Figure 3 2 Monthly averaged temperatures can be calculated from daily air temperatures TOXSWA corrects transformation and volatilization parameters into their values at water body temperature The equations to account for this effect do not apply to frozen water Below 4 C the water starts to expand and freeze Therefore we recommend changing average temperatures that are lower than 4 C into 4 C 40 Alterra rapport 586 X TOXSWA input file Filename C SwashProjects project_H_sw toxswa Thiva met E Weather station Thiva E Contents Input data for TOXSWA concerning temperature Date 22 Apr 2003 MA a a A To E e A e E ey ee a A E a a ci es en A ge Ee ar a temperature in water and sediment per month yearmet momet momette 07 il roel 07 2 U2 62 SU 3 12 54 OT 4 14 08 OP 5 19678 SVT 6 DBS Ou 7 24 85 977 8 24 93 977 9 NDS OT 10 16 63 17 ik ISSO OT 12 9 69 994 il ORI 994 2 9 47 994 3 T2251 994 4 16 02 994 5 Lee 994 6 296 994 7 4538 994 8 26 08 994 9 24 49 994 10 19 74 994 ia 13 22 994 12 9 47 ofc Sie l 0 DI TIL vo Gee A uN oro DO range END OF FILE Figure 3 2 The met input file of TOXSWA 3 3 3 Drainage and runoff input files The m2t file is an output file of the MACRO model containing the hourly water and pesticide fluxes entering the water body by drainage An example of a
45. in an edge of field water body in a realistic way the field scale system is defined as the downstream part of a small catchment basin TOXSWA considers four processes i transport ii transformation 111 sorption and iv volatilisation In the water layer pesticides are transported by advection and dispersion while in the sediment diffusion is included as well Sorption to suspended solids and to sediment is described by the Freundlich equation Sorption to macrophytes is described by a linear sorption isotherm Pesticides are transported across the water sediment interface by advection upward or downward seepage and by diffusion In the FOCUS surface water scenarios transport across the water sediment interface takes place by diffusion only The water body system in TOXSWA has been described with the aid of a water balance that accounts for all incoming and outgoing water fluxes The variation of the water level in time has been calculated in two different ways for ponds and for watercourses ditches and streams This report presents the FOCUS_TOXSWA 2 2 1 model The most important new features of the FOCUS_TOXSWA model compared to TOXSWA 1 2 are entry of pesticides and water via drainage and via runoff off line coupling to drainage model MACRO and to runoff model PRZM simulation of variable hydrology input data stored in a relational database FOCUS Step 3 completely set up via linkage with SWASH The present FOCUS_TOXSWA tool
46. in sediment layer g 9 wbso Mass sorbed to solid phase in sediment layer g 10 wltot Ratio of mass in water layer and total mass in water layer and selected sediment layer 11 wbtot Ratio of mass in sediment layer and total mass in water layer and selected sediment layer 2 6 85 10 wltots ial wbtot 484 484 484 485 E e Se EE BEN A 875 SL 958 000 CRO SE PK EL km ee a 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 ToS TETO 5345E 02 SO y AR e a a RL kk en en 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 65 Tia 5344E 02 SOZ eZ Figure 3 21 Example of dba output file of FOCUS_TOXSWA 86 BO a GG RI Or Qa 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 4205E 06 4184E 06 4164E 06 4143E 06 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 DUDO SITO CED gt 0000E 00 0000E 00 0000E 00 0000E 00 Ore END EEN E o ED OO 010 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 LSO o MLS ma OL 6 SLB AYO 9147E 01 Alterra rapport 586 EEN IO COVES EN exo fos 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 LS DOL ALSO E OIS LSO 0 1 1149E 01 EDEN EED ENEN O OPO CD 0000E 00 000
47. in the meteorology file The time span in the meteorology file has to include the period specified by the start and stop dates of the simulation The meteorology file gtven in Figure 6 4 shows the format needed for importing into TOXSWA The file shown is used for the example water sediment study simulation The data in this file can be imported using the button Import Datafile on the screen TOXSWA Meteo Stations Figure 6 5 E TOXSWA input file Filename C SwashProjects water slib_manual toxswa C3 river_Water Sediment_study met ia Weather station E Contents Input data for TOXSWA concerning temperature Dare i wey 2005 ne en en i hte en N sc os he a temperature in water and sediment per month yearmet momet momette 2000 1 20 00 2000 2 20 00 2000 3 20 00 2000 4 20 00 2000 5 20 00 2000 6 20 00 2000 7 20 00 2000 8 20 00 2000 9 20 00 2000 10 20 00 2000 dit 20 00 2000 12 20 O0 l ONG Sunit O sses oe LH sssa 12 a Sass O10 range END OF FILE Figure 6 4 Meteorology file of example water sediment study Note that the name of the weather station specified in the meteorology file behind Weather station should be the same as the Meteo Station Code specified in the TOXSWA GUI on the screen TOXSWA Meteo Stations for details see Section 4 7 4 This is also explained in the pop up box which appears after clicking the butto
48. is intimately linked with the FOCUS_SWASH tool van den Berg ef al 2005 SWASH has been developed to prepare all run inputs needed by the different FOCUS surface water tools to run a FOCUS surface water scenario The user can access the FOCUS_TOXSWA system through the Graphical User Interface The Graphical User Interface is linked with a relational database SWASH TOXSWA database for easy data access The Graphical User Interface GUI generates the input files for the TOXSWA model and calls the model Summary of input and output can be Alterra rapport 586 11 viewed with the TOXSWA GUI More comprehensive outputs particularly time series can be viewed with the GUI as well To execute simulations with TOXSWA values for all input parameters are required Guidance is given for estimating parameters with the aid of information from other sources Some best guesses are given in case the relevant information is not available As an example of a simulation with FOCUS_TOXSWA the setup of a run and its simulation is demonstrated for a water sediment system The simulation is compared with measurements using the graphs in the TOXSWA GUI 12 Alterra rapport 586 1 Introduction 1 1 General This document is a guide to the use of TOXSWA TOXic substances in Surface WAters a simulation model developed to assess pesticide exposure concentrations PECs in water and in sediment for use in the EU registration procedure The TOXSWA model toget
49. layer the sediment layer both or only one water layer segment plus the sediment subsystem below it Everything that leaves the system is counted as being negative e g cvouwh stands for cumulative outgoing mass to the water bottom sediment 3 3 9 1 mwa output file The mwa file Figure 3 17 contains the mass balance of the entire water layer as a function of time A description of the columns is given in the header of the file under Key to columns in table Alterra rapport 586 73 When during the simulation a warning or error is given that mass is missing in the mass balance calculations then it can be traced back in these files when it occurred Look in the column bal to see where 0 1 or 1 has been exceeded Next it can be read from the other columns where particular values accumulated which may give an indication about the source of the error in the mass balance 3 3 9 2 mwl output file The mw1 file Figure 3 18 contains the mass balance of the selected segment of the water layer as a function of time In the header it is specified which segment of the water layer was selected A description of the columns is given in the header of the file under Key to columns in table 3 3 9 3 msa output file The msa file Figure 3 19 contains the mass balance of the selected top layer of the entire sediment all sediment subsystems of the water body as a function of time In the header the selected thickn
50. level is performed in SWASH for FOCUS Step 3 projects and it is performed in the TOXSWA GUI for FOCUS Step 4 and other projects The second level is the model run level At the third level the Run components combine a scenario a substance and an application scheme The Lateral entries contain data concerning the type of lateral entries drainage or runoff and the path to the m2t or p2t file The Simulation and Output control entries give access to parameters like the start and end time of the simulation and output control data Also part of level 3 is the Run status which gives information about run ID creation 90 Alterra rapport 586 date and modification date of the run After completion of a run the performance of the run is listed in the run status Hierarchy Project Run Run Lateral Simulation Output components entries control control Scenario Substance Application scheme Sediment Hydrology General layer Sorption Transfor Spray drift mation events Represen Sediment tative sublayer channel Sediment building block Figure 4 2 Hierarchies within the TOXSWA GUI A tun is composed of a scenario a substance and an application scheme level 4 At level 5 to 7 these three run components are futher defined The left hand side levels 5 to 7 in the diagram show the building blocks of the FOCUS scenarios A scenario is defined by its water layer sediment meteo station and hydrology The
51. loadings of 0 0005000 mg m2 and 0 001000 mg m2 confirmed the factor 2 The different PEC is only caused by entering the four significant numbers with v2 2 1 instead of e g only 1 significant number With increasing drift deposition the difference in PECs calculated with the two versions becomes smaller with drift depositions around 0 01 mg m2 above 1 mg m2 the difference in calculated PECs is around 1 or less than 0 1 respectively ms2 In v1 1 1 the PECs in the sum output file were shown down to values of 0 001 pg L or pg kg D W for the sediment In v2 2 1 the minimum PECs are 0 000001 pg L or mg kg D W for the sediment So PEC values of zero or very small values around 0 001 pg L or pg kg D W for the sediment of vl 1 1 can now be refined with v2 2 1 ms3 An option to simulate water sediment studies is added in v2 2 1 Shell s1 In v1 1 1 for FOCUS Step 3 runs the FOCUS_highKoc sediment segmentation 27 segments ranging from 0 03 mm in the upper part to 3 cm in the lowest part of the 10 cm thick sediment layer is selected automatically in runs with substance Koc values above 10 000 L kg In v2 2 1 the limit for automatic selection is changed from 10 000 L kg into 30 000 L kg For Koc lt 10 000 L kg or Koc 30 000 L kg this change does not result in differences in output between v1 1 1 and v2 2 1 for FOCUS scenarios For Koc values between 10 000 L kg and 30 000 L kg the calculations with v2
52. m2t file is shown in Figure 3 3 The p2t file is an output file of the PRZM model containing the hourly runoff water and pesticide fluxes as well as the hourly eroded soil and pesticide sorbed onto the eroded soil fluxes entering the water body by runoff and associated erosion An example of a p2t file is shown in Figure 3 4 The last column lists the infiltration below 1 m depth Alterra rapport 586 41 is MACRO to TOXSWA input file C SwashProjects project_H_sw MACRO cereals_winter macro00002_p m2t created on zee 2 MACRO in FOCUS Version 4 4 2 Output File C SwashProjects project_H_sw MACRO cereals_winter macro069 bin ed Parameter File C SwashProjects project_H_sw MACRO cereals_winter paren069 par x Run ID 2 ia Compound H_sw bs Scenario D6 Surface water drained at 1 m depth and 8 m spacing y Simulation from 19800101 to 19870430 application every year Ed 6 year warm up outputs for the last 16 months 2 Crop Cereals winter not irrigated Application type Ground spray os Number of applications 1 ER NR Date Mass g ai ha al 6 Dec 1986 1000 Time YYYYMMDDHHMM Drainage mm h Pest _flux_to_drains_mg m2 h 198611090530 1 267744E 04 4 935758E 06 198611090630 2 706982E 04 1 054902E 05 98611090730 3 004987E 04 LTL TOS 98611090830 5 250919E 04 2 049622E 05 98611090930 1 125564E 03 4 398255E 05 98611091030 ZONES 8 64807E 05 198611091130 3 017 39a O 1 417848E 04 198704220530 3
53. manually in the option field except for FOCUS Step 3 scenarios where the complete Application scheme form and Spray drift events form is automatically filled in because applications are defined in SWASH Note that TOXSWA uses the water depth to convert the mass deposited per m water surface to mass entering per running meter water body by multiplying the mass deposited per m with the cross section of the water layer b 2 s Due to the rectangular shape of the FOCUS water bodies s 0 this multiplication does not affect the FOCUS runs 126 Alterra rapport 586 When the application scheme is defined by SWASH FOCUS Step 3 run the date fields are empty TOXSWA receives the application dates from the header of the MACRO m2t file or from the PRZM p2t file The MACRO or PRZM model has determined the exact application date with the aid of the Pesticide Application Timer PAT and within the application window specified in SWASH see Section 4 2 6 of FOCUS 2001 The TOXSWA model checks that the input specified in the TOXSWA GUI with respect to number of applications and dosage corresponds to those mentioned in the header of the m2t or p2t file When no drainage or runoff input is used the dates of application cannot be read from the MACRO or PRZM output files so they have to be entered in the TOXSWA GUL TOXSWA Spray drift events Browse Spray drift events 1 155E 1 1 540E 1 _ 7 701E 2 1 540E 1 Copy Edit Spray Drift
54. op_dba op_db1 op_mob 30 MMM YYYY DD MMM YYYY HH Description name of project name of location comments for run simulation control option op_hyd 0 Run hydrology and then substance op_hyd 1 Assumes hydrology output and assumes hdr file present op_hyd 2 Runs hydrology if no hdr file op_hyd 3 Runs only hydrology path and name of meteo file met path and name of m2t or p2t file starting date of simulation in TOXSWA end date of simulation in TOXSWA starting month for which average temperature is given in met file last month for which average temperature is given in met file calculation time step for sediment time step for output except for hydrology output number of segments in water layer coupled to sediment sub systems for which output is wanted segment number in water layer at or under which output is wanted number of upper segments forming the top layer for which the PEC sediment will be calculated number of selected times for additional output on calculations in representative channel selected times for additional output date and hour detailed water balance water layer echo of drainage or runoff entries basic data characteristics representative channel only for watercourses ditch or stream additional data characteristics representative channel only for watercourses ditch or stream concentrations in water layer concentrations in sediment sub system mass
55. outflow of the pond and the atea from which erosion may enter the pond arerpo The contributing area of the pond corresponds to the area surrounding the pond that delivers its water and pesticide fluxes into the pond The pond hydrology is now fully described It does not need a representative channel as watercourses do 118 Alterra rapport 586 TOXSWA Hydrology ponds Browse Hydrology ponds Code D4 POND Name Hydrology Variable flow pond Contributing area ha Base flow ned Height weir m Width weir m Area erosion hal i B Comments Close Figure 4 21 The Hydrology ponds form The Hydrology form for a watercourse is shown in Figure 4 22 In the Browse Hydrology watercourses section a new hydrology of a watercourse can be added with the button of the navigator or an existing hydrology of a watercourse can be copied The form Figure 4 22 shows option fields in which you can enter the constant base flow Obasewc the upstream catchment area arupw delivering its water and sometimes pesticide fluxes into the watercourse the width of the plot contributing drainage or runoff fluxes water and pesticide into the watercourse p o and the plot margin erw contributing pesticide sorbed onto eroded soil fluxes to the watercourse Alterra rapport 586 119 TOXSWA Hydrology watercourses Browse Hydrology watercourses Code D4 STREAM Name Hydrology Wariable flow watercourse B
56. projectname MACRO ctopname or C SWASHProjects projectname PRZM cropname respectively 14 Alterra rapport 586 Users of FOCUS models can register at the JRC website in Italy When you have registered there you are not yet registered as a TOXSWA user We recommend you to register as a TOXSWA at our website Registered users have some benefits over non registered users o You will be put on the TOXSWA mailing lists Through the mailing list we will inform you about updates bugs and reports o You can obtain the source code upon request Registration as a TOXSWA user will become possible by the end of 2006 via www pesticidemodels eu 1 4 Reporting of errors and support Users of TOXSWA are encouraged to report difficulties and errors they experience as well as suggestions for improvements to toxswa swash wut nl For errors related to running FOCUS scenarios please contact focus helpdesk jrc it 1 5 Documentation This manual gives guidance for the use of FOCUS_TOXSWA 2 2 1 A general description of the TOXSWA model is given in this manual The theory and mathematical formulations of the pesticide processes in the TOXSWA model have been reported by Adriaanse 1996 1997 with additions for the effect of temperature on transformation and volatilization parameters in Beltman and Adriaanse 1999a A sensitivity analysis of the first version of TOXSWA 1 0 released in 1996 is reported by Westein ef al 1998 How
57. since 01 Jan 1986 5 Help E Print Close Figure 4 32 Graph Water flow and water level in water body 3 Residence time of water in water body The monthly average hydraulic residence time and the momentary hydraulic residence time of water in the water body is given as a function of time Figure 4 33 The hydraulic residence time is defined as volume of the water body divided by its discharge Residence time of water in water body al Monthly averaged and momentary hydraulic residence time of water in water body lt 4 EA Monthly d Momentary d 553 RR gt 25 0 one lt gt SRE 2 gt gt e gt d O OS 2 gt e Ox ZX ee 25 ee gt gt e gt e gt e gt e 53 x mz 3 lt 2 S gt 5 5 ves os ves 5 LR ee 5 gt gt lt gt ZK Ge gt lt gt gt tes gt gt e A gt gt 5 5 25 x pe rat 5 gt 2 ES ee x ES O gt gt pra 73 2 5 gt KX lt gt sd 5 Hydr residence time d Ty SS XX 27 lt gt o on 9 9 gt o ILLA 22 s gt 5 9 e e a ox rene lt gt ef SX AO Ae KX lt x RR Se lt 0 iets o w gt e e 5 5 ver PS KX tote Day number since 01 Jan 1986 kad Beit _ ome Figure 4 33 Graph Monthly
58. sorption isotherms for substances not being herbicides were found to be almost linear Freundlich exponent 0 9 1 1 For the herbicides atrazine and linuron sorption was found to depend strongly on the concentration of the herbicide in the water phase The macrophytes were affected by the herbicides especially when concentrations became higher A reasonable correlation R 0 80 was found for the relation between the sorption coefficient Ka of pesticides excluding herbicides and their solubility in water The equation log K 3 2 0 065loge 5 7 sol can be used for a first estimate of the sorption coefficient of a pesticide to aquatic macrophytes Note that the K value equals the K value the slope of the linear sorption isotherm based on the dry weight of the macrophytes When the organic matter content of the macrophytes is known log Kpa 3 37 0 064 loge 5 8 sol can be used to estimate the sorption coefficient for macrophytes R 0 86 Note that Knp WommpKom With Km is the slope of the linear sorption isotherm based on m mp om the organic matter content of the macrophytes and m is the mass fraction of om mp 156 Alterra rapport 586 organic matter in the dried macrophytes If more accurate information on pesticide sorption to specific macrophytes is required the sorption coefficient should be determined experimentally kdomssdit slope sorption isotherm based at organic matter content of s
59. subsystems for which output is desired Iwbsy is the segment number for which the output is desired The number of upper segments of the sediment amp top called the top layer should be entered The pesticide concentration will be calculated as an average in this top layer and presented in the output It is possible to obtain output on the hydrology of the representative channel output files rcl and rc2 see Section 3 3 6 for details This is only possible for variable flow in watercourses as the pond and constant flow situations do not simulate a representative channel The parameters needed for output of the rc2 file are ntourve and teurvedat Ntcurve is the number of times for additional output on calculations in the representative channel e g profile of backwater curve and teurvedate is the selected time for additional output Output files The output files desired op_ yb op_mob have to be selected in this section The contents of each output file are described in Section 3 3 4 3 3 10 3 3 1 2 Section 2 Definition of water layer and sediment In Section 2 of the txw file all parameters concerning the water layer and the sediment ate specified Table 3 2 presents the parameters in the sequence in which they appear in the txw file with a short explanation on each parameter Alterra rapport 586 31 Table 3 2 Parameters in Section 2 of the txw file Parameter Unit Description Water body xdit m the length o
60. that were made by SWASH e g combining a substance with another application scheme Another possibility is to set up runs from items that have been made by you in the separate forms 4 7 4 Run Components tab In the Run components tab of the Main TOXSWA form Figure 4 7 the user has to select the major run components of a run Le Scenario characteristics Name and Water body and the Pesticide and scenario dependent characteristics Substance Application scheme and Initial conditions for the pesticide In case a project containing FOCUS Step 3 runs is opened all run components are automatically selected and filled with the correct input data Notice that you can only select existing building blocks on this screen It may be necessary to add or create entirely new scenarios composed of entirely new components In this case you can use the button on the right of the pick list to go to a lower hierarchical level where you can e g compose new scenatios or substances 104 Alterra rapport 586 Run Components Lateral Entries Simulation Control Output Control Run Status Run name Cereals winter_D4 Pond Bl Comments Scenario Pesticide and scenario dependent Name D4 Meteo station Skousbo hd Bl Substance Dummy compound H_sw y El Water body Pond hd Application scheme AppScheme_00001p_pa hd El Crop Initial conditions for pesticide Figure 4 7 Run Components tab of the Main form The Run name f
61. the button of the navigator or an existing application scheme can be copied Application schemes are given a unique code by the GUI A unique name has to be entered Three entry routes to the surface water body are considered in TOXSWA spray drift drainage and runoff It is assumed that drainage and runoff do not occur simultaneously Figure 4 28 shows the Application schemes form Use the Spray drift Edit View button to define the individual spray drift events for the selected application scheme Section 4 9 2 In the checkbox below it can be marked that the entries do not occur over the whole length of the water body if the checkbox is not marked entries do occur over the whole length of the water body If not the whole length is considered the start and end positions in the watercourse where drift deposition and drainage or runoff take place s xldsd enxldsd spray drift stxldro enxldro runoff stxiddr enxlddr drainage need to be specified The ratio of the upstream catchment that is treated with the pesticide rasuupbound has to be entered In case of runoff values for the ratio of pesticide free infiltrated water at 1 depth that drains directly into the water body raindr and the thickness of the sediment layer to which pesticide mass sorbed to eroded soil is added msewbidro need to be entered in the data fields Alterra rapport 586 125 TOXSWA Application schemes Application schemes 511 AppScheme_O0005d_m
62. the mass balance The following options are available e Run hydrology and then substance e Assumes hydrology output and assumes hdr file This means that a run with exactly the same hydrology has been made before and that a hdr file see Section 3 3 5 3 with identical runID as the current run is available This option reduces computation time when a run is repeated several times e Runs hydrology if no hdr file TOXSWA checks whether a correct hdr file is available if not the entire simulation including the hydrology is run e Runs only hydrology This option is interesting when calibrating the hydrology part and not yet running the pesticide part The default option is Run hydrology and then substance More details about the Run option can also be found in Section 3 3 1 1 of this report Below the calculation time steps for the hydrology and the mass balance for the sediment can be entered The default value is 600 s for both time steps The calculation time step to solve the mass balance for the water layer is selected by TOXSWA itself It varies between 1 and 3600 s depending on the flow dynamics At the bottom of the form the time domain for the simulation is specified in the Start en Stop data fields stdate endate Dates are input in the format dd mm yyyy e g 30 01 2002 4 7 7 Output Control tab The Output Control tab of the Main TOXSWA form Figure 4 10 contains the output options of the run Names in
63. the meteorological data file The View Data button allows the user to inspect the used data on his screen The Create Datafile button creates from the selected meteo data the meteo file met in the TOXSWA directory of the project Alterra rapport 586 115 that the user is working in Note that creating the meteo file is not needed to perform a run When in the Main form the Calculate button is pressed the met file is created automatically TOXSWA Meteo Stations Browse Meteo Stations Joode Name Country Brimstone La Jailliere Lanna Porto Roujan Coe Thiva A Vredepeel Vredepeel Weiherbach Weiherbach v Edit Meteo Station Code kousbo ES View data Name Skoubo Create Datafile Country Import Datafile Longitude dec degrees East positive 12 05 _ ImportDatafie Latitude dec degrees 55 37 Altitude mn Help Close Figure 4 18 The Meteo Stations form The Import Datafile button allows the user to import new meteorological data into the SWASH TOXSWA database under the selected Meteo Station Code The new Meteo Station Code needs to have been created first with the aid of the Copy or button at the Browse Meteo Stations section It is possible to import a new set of meteo data into the TOXSWA SWASH database by creating a data file of identical layout as the TOXSWA met files in the SWASHprojects directory The name of the file and the name in the header of the
64. to be adapted to the proper dimensions 154 Alterra rapport 586 stxldsd start of stretch of water body onto which spray drift is deposited enxidsd end of stretch of water body onto which spray drift is deposited These two distances define the begin and end distance of a section of the watercourse onto which residues of a spray drift event deposit It may be the whole length of the watercourse or only a section of the watercourse A point source release into the water body can be simulated by allowing the pesticide mass to enter one small water body segment defined by its initial distance stxldsd and its end distance enxldsd stxlddr start of stretch of watercourse into which drainage enters enxiddr end of stretch of watercourse into which drainage enters Drainage water fluxes always enter the whole length of the water body 5 x ddr and enxlddr refer to pesticide mass drainage fluxes and they define the begin and end distance of the loaded section of the watercourse A point source release by drainage of pesticide into the water body can be simulated by allowing the pesticide mass to enter one small water body segment stxldro start of stretch of watercourse into which runoff and eroded soil enter enxldro end of stretch of watercourse into which runoff and eroded soil enter Runoff water fluxes always enter the whole length of the water body Stx dro and enxldro refer to pesticide fluxes in runoff water or sorbed onto eroded so
65. turning on the switch op dupbound Then the ratio of the upstream area treated with pesticide rasuupbound should be entered TOXSWA calculates the mass entering via the upstream boundary by multiplying this ratio raswupbound with the area of the upstream catchment arupwe Section 3 and the pesticide flux read from the drainage or runoff file This entry across the upstream boundary occurs simultaneously with the lateral inputs There is no delay by transport of water or pesticide in the catchment For runoff simulations the entry of pesticide mass adsorbed to eroded soil via the upstream boundary is not taken into account 38 Alterra rapport 586 3 3 1 5 Section 5 Substance section Section 5 contains data on the properties of the pesticide Table 3 5 presents the parameters in the sequence in which they are given in the txw file with a short explanation of each parameter Table 3 5 Parameters in Section 5 of the txw file parameter unit description General suname substance name mamol g mol molecular mass M V olatilization psat Pa saturated vapour pressure P tepsat K temperature at which saturated vapour pressure was measured mepsat J mol molar enthalpy of vaporisation cosol g m solubility pesticide in water Csol tesol K temperature at which solubility was measured mesol J mol molar enthalpy of dissolution Sorption kdmpdit m3 kg slope sorption isotherm based at dry weight macrophytes Kmp distribution coeffic
66. version 1 2 2 9 May 2003 FOCUS_TOXSWA version 2 2 1 is linked with the FOCUS SWASH version 1 1 consisting of SWASH model shell FOCUS version 1 2 1 SWASH TOXSWA database FOCUS version 1 2 2 9 May 2003 FOCUS TOXSWA version 2 2 1 reads the output files m2t from MACRO or p2t from PRZM which have been prepared with the aid of the SWASH and the MACRO or PRZM tool respectively The used versions of the two last mentioned tools are stated in SW ASH tab information button Versions The FOCUS Version Control Working Group is responsible for version control and distribution of all FOCUS tools FOCUS TOXSWA version 2 2 1 is loosely coupled to the IMAG Drift Calculator version 1 2 Holterman and van der Zande 2003 It calculates spray drift deposition onto the ditch used in the Dutch registration procedure for standard as well as refined risk Alterra rapport 586 13 assessments Moreover spray drift deposition onto FOCUS like water bodies can be calculated 1 2 Main differences between TOXSWA 1 2 and FOCUS TOXSWA TOXSWA 1 2 is used in Dutch pesticide registration for first and higher tier assessments Higher tier assessments include the interpretation of field studies for pesticide registration TOXSWA 1 2 can be downloaded via http www toxswa pesticidemodels eu The main improvements in FOCUS_TOXSWA are entry of pesticides and water via drainage and via runoff simulation of transient hydrology off lin
67. yes 0 1 op_cs1 concentrations sediment sub system 0 no 1 yes 0 1 op_mwa mass balance water layer 0 no 1 yes 0 1 op_mw1 mass balance of specified segment in water layer 0 1 0 no 1 yes op_msa mass balance sediment 0 no 1 yes Octal op_ms1 mass balance of specified sediment sub system in sediment 0 1 0 no 1 yes op_dba Distribution substance in total water body water layer and 0 1 sediment 0 no 1 yes op_db1 Distribution substance in specified segment water layer and 0 1 underlying sediment sub system 0 no 1 yes op_mob monthly water and mass balances 0 no 1 yes 0 1 Section 2 Definition of water layer and sediment xdit m the length of the water body buffers excluded 0 05 10000 xf m length of front buffer O 1000 xe m length of end buffer 0 1000 nxnodit number of segments in water body 1 500 nxnofb number of segments in front buffer 0 25 nxnoeb number of segments in end buffer Os Zo lesefb m lengths of each segment in front buffer O 1000 lesedit m length each of segment in water body 0 05 1000 leseeb m length each of segment in end buffer 0 1000 wibot m bottom width of water body 0 05 100 sisl side slope horizontal vertical 1 105 10 wdhfl m water depth defining perimeter for exchange between water layer NZ sediment hy coss g m concentration of suspended solids ss 1 1
68. 0 0 0000E 00 SO Aon 1907 21 8 000 484 875 0 1788E 06 0 7346H 04 0 0000E 00 0 0000E 00 0 2434E 00 0 0000E 00 9852E 01 1905E 01 3421E 01 0 9162E 01 SO Aon I 22 8 OO 484 917 0 1695R 06 0 6964E 04 0 0000E 00 0 0000E 00 0 2434E 00 0 0000E 00 9856R 01 1906E 01 3422E 01 0 9157E 01 IO Aare LOE DS 00 484 958 0 16765 06 0 6887H 04 0 0000E 00 0 0000E 00 0 2434E 00 0 0000H 00 9860E 01 1906E 01 3422E 01 0 9152E 01 01 May 1987 00 00 485 000 TOF 15 OIESOG 0619958204 0 0000E 00 0 0000E 00 0 72434E 00 OO OOOEKOO 98641E 201 1907E01 5 3423E01 0 9147E01 Figure 3 19 Example of msa output file of FOCUS_TOXSWA Alterra rapport 586 81 nn a a ee Se ae ez No TE wr tE O a ee EP En ES UD AN E a TN SN SP e FEEFEE HEEF HR HH Ht HH Ht HH HEEF Compiled with Visual FOCUS_TOXSWA v2 2 1 TOXSWA v2 1 2 F2 10 Nov 2005 Copyright Alterra HEEF HR HEERE Ft HA HEO PERE HRH HEO HEER OT lean Woo a messe at sa S Alterra PO Box 47 6700 AA Wageningen The Netherlands Wageningen U TOXSWA simulation Working Directory Run ID 00 File name Mass balance of the top 0 050 m of the sediment subsystem under segment water layer as a function of time Key to columns in tab 002d_pa le 23 Jan 2006 14 44 22 C SwashProjects project_H_sw toxswa 00002d_pa msl middle of segment is at 10 of the 95 000 m from water layer
69. 0 4 442 Table Water balance elements and temperature of the water body Key to table Waflux total water flux from adjacent plot mm m 2 month 1 Qoutmin minimum monthly outflow L s 1 Qoutmax maximum monthly outflow L s 1 Hmin minimum water depth of the month m 46 Alterra rapport 586 Hmax Umin Umax Motau Temp Year 986 986 986 1986 1986 1986 1986 Table maximum water depth of the month minimum flow velocity of the month maximum flow velocity of the month Key to table initia eum cuinub cuinwb cuouwb cuoueb cuoufb cut f cuvol totmwl initia Year 1986 1986 Table m m m CEE Ci 0 0 0 cuvol totmwl 000 000 000 000 000 000 000 000 E o EN Ls dl 0 IVES ES Re Yael E ED A e Pa ee SD OF AOS NEN O EPI CO ee NO NES 328 IS 087 002 00 000 000 000 monthly average hydraulic residence time d constant temperature of the month C Month Waflux Qoutmin Qoutmax Hmin Hmax Umin Jan 30 0 0429 Plt BO OL 2 Feb 149 0 4668 SUL US Ons 114 Mar 14 0 0506 A SO AAS 4 Apr 3 0 0429 re ER OSO 12 May 0 0 0429 OVO NR OERS OMR OERS 0 12 Jun 0 0 0429 0 0 0 30 0 30 12 Jul 0 0 0429 0 0 0 30 0 0 12 Aug 0 0 0429 IS O SO 12 Sep 0 0 0429 QA 0 30 OS O 2 Oct 0 0 0429 0 0 0 30 OW 30 2 Nov 10 0 0429 ISS O OS 0 2 Dec 95 0 0510 Tres OESO OE 4 Jan 94 0 3620 WA CORSO OE 89 Feb 59 Os O Ok A OTSA 26 M
70. 0 stxlddr m 100 000 enxlddr m 0 op_1dupbound 0 000 rasuupbound Section 5 Substance section H_sw suname 300 000 mamol g mol 1 0 100E 06 psat Pa 293s 5150 tepsat K 95000 000 mepsat J mol 1 1 000 cosol g m 3 B93 150 tesol K 27000 000 mesol J mol 1 0 000 kdmpdit m3 kg 1 0 580E 01 kdomssdit m3 kg 1 0 100E 02 coobkomss kg m 3 1 000 exfrss 0 580E 01 kdomwb1 m3 kg 1 0 100E 02 coobkomwb kg m 3 1 000 exfrwb 100 000 dt50wl d DESTINO tedt50wl K 54000 000 acct do malt 300 000 dt50wb d 29S 150 tedt50wb K 43 000 kdfw mm2 d 1 Figure 3 6 Example of ech output file of FOCUS_TOXSWA 3 3 4 3 mob output file The mob file Figure 3 7 gives the major water balance terms the hydraulic residence time per month the mass balances of the water layer and the mass balance of the selected top layer of the sediment These tables present the same numbers as the tables in the sum file but in the mob file the numbers are given in exponential form instead of in a limited number of decimals In exponential form also very small numbers can be quantified The average hydraulic residence time is calculated by dividing the time averaged volume of the water body by the cumulative water flux out of the water body in the selected month Therefore the average hydraulic residence time is not the average of the hydraulic residence times given for each of the output time steps in the hyb out
71. 00 00 Saturated vapour pressure Pa 1 000E 7 measured at C 20 0 Molar enthalpy of vaporisation J mol 95000 0 Solubility in water mg l 1 000E 0 measured at C 20 0 Molar enthalpy of dissolution J mol 27000 0 Diffusion coefficient in water m d 4 30E 5 Help Close Figure 4 24 The Substances form with the tab General Sorption tab The sorption of substances to suspended solids and sediment is described with a Freundlich equation assuming that sorption to suspended solids and sorption to sediment are analogous processes to sorption to soil Adriaanse 1996 The Sorption tab consists of two parts e the first part Freundlich sorption on sediment and suspended solids contains parameters describing the Freundlich coefficient for sediment kdomwb1 for suspended solids kdomssdit and the reference concentration at which the Freundlich coefficient has been estimated for sediment coobkdomwb and for suspended solids voobkomssdit and the Freundlich exponent for sediment exfrwb and for suspended solids exfrss e the second part Macrophytes contains the coefficient for linear sorption on macrophytes kdmpdit In the first part you can select the option General Figure 4 25 or Detailed Figure 4 26 The option General attributes the same Freundlich sorption isotherm to both sediment and suspended solids If you select the option Detailed a distinction is 122 Alterra rapport 586
72. 00000 raomss mass ratio of organic matter Mom ss in suspended solids O 1 dwmp g m2 dry weight of macrophyte biomass per m bottom DW 0 1000 castwl g m initial mass concentration of pesticide in water layer c for O 100 segments in x direction nxsetot so buffets included coait g m3 constant background concentration of pesticide in air O 0 1 zwb m depth sediment end buffer excluded 0 001 0 5 zebb m depth end buffer sediment 0 if none 0 0 1 nznowb number of segments in sediment end buffer excluded 1 50 nznoebb number of segments in end buffer 0 if none 0 10 lesewb m thickness of each segment in sediment 0 00001 0 5 leseebb m thickness of each segment in end buffer 0 if none O 0 1 178 Alterra rapport 586 bdwb kg m bulk density of dry sediment material py as a function of depth 10 3000 end buffer excluded por R porosity volume fraction void water as a function of depth 0 001 0 999 end buffer excluded tor tortuosity as a function of depth end buffer excluded O 1 raomwb mass ratio organic matter of dry sediment material Mom wb as a el function of depth end buffer excluded Idis m dispersion length Dile castwb g m initial mass concentration pesticide in sediment c for the total O 1000 number of segments in z direction nzsetot end buffer included Section 3
73. 00000070 000R 00 Gi lt sJan 1956 06 00 T250 OO OS LEO eee OO IBEN OIE OZ O LORO ELIEN NO OO UE EDO O DOED 01 Jan 1986 07 00 Uceda Oe 301 Ue 37 IEX0L Os tee roe Or ST NEKO CO Des E 0 OL 000 OEL ZERO O OOOR FOOD OOB 30 Apr 1981 21 00 Aaron OSO OC S710 Oel LSEEO TO STIEF OVI eee 6 000 OBA SE FOLIO OUOEFTOO 00 A00 EED 30 Apr 1987 22 00 484 917 0 301 0 371E 01 0 123E 02 0 371E 01 0 123E 02 0 000 0 813E 01 0 000E 00 0 000E 00 30 Apr 19087523500 264 958 0 300 0 TEFOD O ASE FOZ 0 3 IEGOL 10123502 07000 023813 E 01 0 0000070 000E 00 QdlMay lS 70000 489 000 0 301 OeSTIEFOL OU 12302 O S E ROL Oe LEO 10 000 OC 813 ROL 0 000E 00 0 009E 00 Figure 3 9 Example of hyb output file of a watercourse Alterra rapport 586 62 oe Oe EE DE Ly ae TI He Mi E e E ES SAL EN E TE A EE ME OE cae EE E O E E ES O E HEEE HEE tt tt EEEH Ht tt tt EH Ht tt tt tH ttt id tt tt tH tt HF tt tt EEEH tt tt HE Compiled with VisualFortran v6 Ht Ht tt tt tt e HH EEEH HE Ht tt Gaon FOCUS_TOXSWA v2 2 1 Ht TOXSWA v2 1 2 F2 E 10 Nov 2005 Copyright Alterra Alterra PO Box 47 6700 AA Wageningen The Netherlands Wageningen UR TOXSWA simulation Working Directory Run ID File name 00001p pa Input data for pond Inflow characteristics baseflow into pond m3 d 23 Jan 2006 C SwashProjects project_H_sw toxswa 14 43 30 00001p pa hyb contributing area for runoff drainage Pond and weir characteristics bottom w
74. 000E 00 0 172E 02 845E 03 56 143E 02 oe OIL Alterra rapport 586 Sep 1986 0 000E 00 Oct 1986 0 000E 00 Nov 1986 0 000E 00 Dec 1986 0 000E 00 Jan 1987 0 000E 00 Feb 1987 0 000E 00 Mar 1987 0 000E 00 Apr 1987 0 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 aA 785E 01 20 9K 0 y ALSINA ellis 0 iL TS SES 02 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 TSEZ TOTSES OS 2208503 TGZ ETON SSH 417E 02 SOS 3 OESO ZOP ETOS 342E 03 T2 ORTOS ALIAS 821503 PIEZO SOES O2 o HO 02 865E 03 5 SZ OS sels 05 180E 02 SOZ 0 360E 02 473E 02 ZO 2 748E 02 SS E O OASES OT TOETO 119E 00 128E 00 5 OLS Oil Figure 3 7 Example of mob output file of FOCUS_TOXSWA Alterra rapport 586 57 3 3 4 4 err output file This file repeats all the warning and error messages which have been directed to the screen during execution Figure 3 8 When a run is simulated without warning or error messages this is indicated in the error file by the message No warnings during run and the run time of the run is given If the percentage of the mass that is missing exceeds 0 1 a warning is given in err file It should be checked whether errors have been made or whether the missing mass is due to a normal accumulation of small errors caused by the numerical solution of the mass conservat
75. 00E 00 Alterra rapport 586 Te EG HL E y 0000000E 00 0000000E 00 69 01 Jan 1986 00 01 Jan 1986 0037 Oil damn OEE Nig Orden LOGO Olga LOEG OLE 01 Jan 1986 01 Olden LOGO Olen 1086018 Oil Tero IEE Mig Olden IGO Olden LIG Og Olga 19086018 ORN OE OO s OA Ma IE 00 01 May 1987 00 Oil SME LOE 00 8 01 May 1987 00 OM Manzano Sa 008 01 May 1987 00 QlAMey 19872008 01 May 1987 00 Oil Mey LOE 008 Es E is fe dE ES RS ES ie dn Shs 85 So SO So Son Soe 85 She 000 04 04 04 04 04 04 04 04 04 04 AD REN APN NEN EDEN EDEN GD 000 N NINN OTON O NO 000 000 000 000 000 000 000 000 000 p hb pb D OOO EA On TSS EON 1S We 0w0 J004u0N RA Se Se 000 000 TS DD BON 45 3Sa 65 hone SOR OSR 000 000 000 000 000 000 000 000 000 000 000 LS DOE De 45 Io 65 ID Coe 000 000 000 000 000 000 000 000 000 Figure 3 14 Example of ova output file of FOCUS_TOXSWA 70 PINNEN MEN NEN ED IED KEN KD ico sa o e EN 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 1399424E 04 2963228E 04 5149288E 04 8035669E 04 o 1173069203 1636731E 03 22071165503 2885428E 03 TOS OSSES 4272209E 03 pe a EN so o a o O e 2 EE o DE EE Y ss a sa 0000000E 00
76. 00E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 1169E 01 01 0ct 1978 04 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 1169E 01 ise r LISTE CO COOOUE 00 0 0000E 00 0 0000E 00 0 0000E 00 0 1169E 01 OLO LISTS 06 00 COS DO000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 1169E 01 Ol 0ct 1978 09 700 DO O000R 00 0 0000E 00 0 0000E 00 0 0000E 00 O 1169E 01 OlOSE LTS ASO COCUOUOE 00 0 0000E 00 0 0000E 00 0 0000E 00 O 1169E 01 11970200 0 22 OZ 0 24512 ON BITS 01265120 0 LOOSE OO Lieg 1979 02200 WO 2827 02 0 245SuB 12 09573003 0 12651 240 0 1000 LSA CN CSE Or ZA TO GZESa OBE 0 12651 20 0 LOOSE E00 11 Feb 1979 04 00 0 2827E 02 024812 OSS 0 OLAZ O LOC HOO 11 Feb 1979 05 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 1098E 00 11 Feb 1979 06 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 1098E 00 11 Feb 1979 07 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 1098E 00 11 FebB 1979 08300 0 0000R 00 0 0000E 00 0 0000E 00 0 0000E 00 0 1098E 00 Figure 3 4 The PRZM output file containing hourly water and pesticide fluxes entering the water body by runoff and erosion for TOXSWA Alterra rapport 586 43 3 3 4 General output files 3 3 4 1 sum output file This file gives a summary of the input and output Figure 3 5 The header of the file presents information about the performed run At the right hand side of the large TOXSWA letters information is given about the versions used for the executed run Therefore it can always be traced back wi
77. 0100 0 0200 0 0300 bdwb 800 0 800 0 800 0 Alterra rapport 586 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 por 0 60 0 60 0 60 Lakes I ounce a aulas e Laker vatios waag warieg evoked Laak Ie mulas water and mass balances 3 g m3 gym 2 g m 3 COT raomwb 0 60 C7090 0 60 0 090 0 60 0 090 27 800 0 0 60 0 60 0 090 800 0 0 60 0 60 0 090 800 0 0 60 0 60 0 090 800 0 0 60 0 60 0 090 800 0 0 60 0 60 0 090 800 0 0 60 0 60 0 090 800 0 0 60 0 60 0 090 800 0 0 60 0 60 0 090 800 0 0 60 0 60 0 090 800 0 0 60 0 60 0 090 800 0 0 60 0 60 0 090 ners kay me 3 ldis 0 0150 eee Ss mi castwb 0 0000 Dates pian Si 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 os Section 3 Hydrology of water bodies qseif 0 Pee ee O colot 0 lies ens op_vafl 1 lisis op_hd 0 U aties delthy 600 ile SS wdh 0 500 EA op_powc 1 Cates lerc 1000 Eert botslrc 0 0001 Lae Sy hg a wibotre 1 0 1 ware iin sisine 1 0E 05 U winieg Qbaserc 3 706 meg MASAE areg 2 U binme g el crestbodyrc 0 40 analice mt wicrestrc 0 5 U uinte g ii kMan1m 25 0 edes mf LZS Ze alphaen 1 2 U ti Qbasewc 3 706 makes mel arupwc 2 J Waer level leplot 100 saties mm leerwc 20 ioe e mi We ae ae has ss me me ee eee eee ee eee ee ee eee ee eee ee eee eee eee eee eee eee eee ee ie Section 4 Pesti
78. 0E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 SOL TESO 8007E 01 8002E 01 ISSO dada aa DIO SIDO CSE CD soa gol 49 47 94 94 94 94 EA B TEE Nn Gy OL 3 46 49 En 58 KHE Hd HF HH Het HH HH Hd FOCUS_TOXSWA v2 2 1 3 HH Ht tt Ht Ht HH HH Ht tt FH TOXSWA v2 1 2 F2 A HH Ht tt HHH Hi Ft tee FE FH HH 10 Nov 2005 z HF Ht tt Ht tt ttt PERE HAER HH Hd HH He HER HH HH Ht tt Copyright Alterra Compiled with VisualFortran v6 6 0 A A A A ed ed lb AAA A AUS RS SES aL ja S UW a 2 ad WAE ES NT ett Os en ee eb de ee eh ee Alterra Wageningen UR http www alterra wur nl Ee BO Bebe di 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID 00002d_pa File name 00002d_pa dbl Distribution of substance in water layer and top 0 050 m of sediment as a function of time at segment 10 of water layer middle of segment is at ODO OIO Mm Key to columns in table IO Date and hour ZE Time d 3s WEGOE Total mass in water layer segment g m 4 wldis Mass dissolved in water layer g m So WLSS Mass sorbed to suspended solids g m 6 wlmp Mass sorbed to macrophytes g m 7 wbtot Total mass in selected top layer of sediment g m 8 wbdis Mass dissolved in sediment g m 9 wbso Mass sorbed to solid phase in sediment g m 10 wltot Ratio of mass in water
79. 1 630 AppScheme_00006s_pa 631 AppScheme_00006s_m1 632 Example Vredepeel 633 Appl name 634 Appl nameu 635 FOCUS Step 4 application scheme 3 mM mM ei X Edit application scheme Code Spray drift Edit View Bi Comments Name FOCUS Step 4 application schem JV Spray drift and drainage or runoff NOT over whole length of water body Start position for spray drift and drainage or runoff m 0 End position for spray drift and drainage or runoff m 100 Ratio of upstream catchment treated 0 1 0 4 Runoff runs Ratio infiltration in soil 0 1 0 1 Thickness sediment layer to which mass sorbed to eroded soil is added m 0 01 Figure 4 28 The Application scheme form 4 10 2 Spray drift events form Figure 4 29 shows the Spray drift events form A new event can be added with the button of the navigator or an existing event can be copied In the lower half of the screen the event has to be further defined The date chatldsd the dosage applot and the drift deposition w dsd or the drift percentage needs to be entered The option field of the drift and the drift percentage are connected Changing a value in one box automatically changes the other The drift percentage may be defined by the user calculated with the FOCUS drift calculator Appendix H FOCUS 2001 or calculated with the IMAG drift calculator Holterman and Van de Zande 2003 The user has to enter the value for the drift percentage
80. 2 1 using the standard FOCUS sediment segmentation may result in slightly different sediment PEC values than those obtained before with v1 1 1 using FOCUS_highKoc sediment segmentation If there is a difference the v1 1 1 results are closer to numerical convergence The background of this change between v2 2 1 and v1 1 1 is that sometimes runs with substances having a Koc value between 10 000 L kg and 30 000 L kg crashed because of th selected finer FOCUS_highKoc sediment segmentation see bug 11 of updated list 2 of all known bugs for FOCUS_TOXSWA 1 1 1 at http viso ei jrc it focus sw It is the user s responsibility to decide whether the result of v2 2 1 should be refined bey re running with the finer sediment segmentation s2 In v1 1 1 the sequence of applications in runs of FOCUS step 3 projects made in SWASH are mixed up in the application scheme in the TOXSWA shell this is a bug see TOXSWA bug 11 of updated list 2 of all known bugs for FOCUS_TOXSWA 1 1 1 reported on http viso ei jrc it focus sw as well as the bug dated 06 Jun 05 under Download SWASH at the same website This bug is repaired in v2 2 1 and v2 2 1 now always stops when the multiple applications of one run are not in the correct order This bug of v1 1 1 only caused rroneous results for runs having multiple applications with different applications rates So in those cases v2 2 1 results differ significantly from v1 1 1 results and the user is advised to check his v1
81. 38 6 34 3 28 6 25 4 23 8 19 5 16 8 12 4 15 4 10 5 Residues in sediment g m Run CiSwashProjectsWWater sedimentitoxswaW00000007 cwa at distance 0 5 1 o Concentration pg L 5 0 017170 0 015926 0 017976 0 018144 0 017304 0 017942 0 018614 0 018278 0 012970 0 011525 0 009610 0 008534 0 007997 0 006552 0 005645 0 004166 0 005174 0 003528 5 6 7 8 Day number since 01 Jan 2000 9 10 Run CASwashProjectsWWater sedimentitoxswaW00000007 cb at distance 0 5 5 ho o on Concentration pg dm o on o D 10 20 30 40 50 60 70 Day number since 01 Jan 2000 80 90 100 e Measured1 m Dissolved Ads to susp solids Ads to macroph Total e Measured O 0 025 m Dissolved Ads to sediment Total Figure 6 7 Comparison of simulated and measured concentration in water and in sediment for the example water sediment study Alterra rapport 586 169 References Adriaanse P I 1996 Fate of pesticides in field ditches the TOXSWA simulation model DLO Winand Staring Centre Report 90 Wageningen Adriaanse P I 1997 Exposure assessment of pesticides in field ditches the TOXSWA model Pestic Sci 49 210 212 Adriaanse P L J P M Vink W W M Brouwer M Leistra J W Tas J B H J Linders and J W Pol 2002 Estimating transformation rates of pesticides to be used in the TOXSWA model from
82. 4 2000 where 01 01 2000 corresponds to t 0 day and 15 04 2000 to t 105 day 6 5 4 Output On the Output Control tab specify the thickness of the top layer The thickness of the top layer is an output parameter for the sediment It determines for which upper part of the sediment the output is given e g the concentration in the sediment for the top layer is written in the cs1 file Section 3 3 7 2 Because the residue measured in the sediment of the water sediment system applies to the entire sediment it is important to get the simulated concentration of the entire sediment as output of the TOXSWA simulation Therefore it is necessary to set the thickness of the top layer on the Output Control tab equal to the entire thickness of the sediment in the experiment 2 5 cm in the example water sediment study Note that the selected Time interval of output determines whether residues can be plotted in a graph The times specified in the output files cwa or cs1 have to match the times specified in the text files with the measurement For example using a Time interval of output of 24 hours the calculated concentration in the output files is given per day at 00 00 h In the text files with the measurements the time for each measurement is specified at 09 00 Then the TOXSWA GUI is not able to link the Alterra rapport 586 167 calculated concentration in the cwa and cs1 files to the measured concentrations in the text files alth
83. 5 Substance properties suname 4_sw mamol 505 20 unit g mol psat 1 240E 08 unit Pa tepsat 298 15 Wines IE mepsat 95000 0 cosol 2 000E 04 tesol 298 15 mesol 27000 0 unit J mol maite a emt 3 wales 1X unit J mol kdmpdit 0 00000 kdomssdit 59390702 coobkomss 1 00E 03 exfrss 0 93 kdomwbl 593 96752 coobkomwb 1 00E 03 unit m 3 kg unit m 3 kg tares keys Urs unit m 3 kg Wires Key mes exfrwb 0 93 ii ee dt50wl 0 70 tines El tedt50wl 293 15 wils TK aetf 54000 0 unio y mol dt50wb 76 00 unio a tedt50wb 293 15 Wines IK kdfw 43 0 unites mice 7d END OF FILE 192 Alterra rapport 586 Appendix 5 Estimation of the tortuosity factor for sediment The tortuosity factor A is strongly related to porosity Boudreau 1996 derived the empirical equation 4 1 1 Ln e from experimental data and theoretical work The tortuosity factor can also be estimated with the relation derived theoretically for a medium containing a mixture of different sized spherical particles as recommended for saturated soils by Nye and Tinker 1977 4 e Also used in the past for estimation of the tortuosity factor is a table recommended by Leistra for soils 1978 These two methods Boudreau s method and tortuosity factors calculated from measurements by Sweert ef al 1991 are presented in Figure A5 1 The dat
84. 50 200 250 300 350 400 450 Day number since 01 Jan 1992 Vs n J Show markers Options Run C SwashProjects project_O toxswa DO0000003 cw at distance 08 Measured O 0 01 m E Dissolved E 05 Ads to sediment 3 Total e 2 B04 502 o 0 0 50 100 150 200 250 300 350 400 450 Day number since 01 Jan 1992 H Save as El EX Clipboard B Print Close Figure 4 46 Example of the window containing graphs for comparing simulated and measured concentrations in water and in sediment Concentration of pesticide in water f x and sediment f z V Show standard deviation J Show markers Options Run C SwashProjects project_O toxswa 000000003 cwa Measured 01 05 1992 12 00 00 01 May 1992 12 00 00 121 5 Conc dissolved pg L 0 0 10 20 30 40 50 60 70 80 90 100 Distance in water body m I Show standard deviation I Show markers Options Run C SwashProjects project_O toxswa 000000003 cw Total conc yg dm 0 1 Measured 01 05 1992 12 00 00 D 01 May 1992 12 00 00 121 5 0 02 a bo A 2 0 06 0 08 Save as ad EX Clipboard B Print Close Figure 4 47 Example of the window containing graphs for comparing simulated and measured concentrations in water as function of the distance in the water layer and in sediment as a function of depth Alterra rapport 586 143 The format of the data file containing the measu
85. 72 Sauer Creation 8 23 Jam 2008 103 343 2G Characteristics of run Run id 3 OOS Substance Test compound 4_sw Crop Cereals winter Water body type focus_stream Application method ground spray Application rate of first application 1 0000 kg ha Number of applications e al Remarks Section 1 Run characteristics prname c_project_H_sw Name of project max 25 pos locname Rl Meteo station Weiher Name of location max 35 pos runcom Not a FOCUS Step 3 run Comments for run max 35 pos 1 Hydrology simulation control option met Weiherbach met rodr c swashprojects project_h_sw przm cereals_winter 00003 cl p2t sedare OlsOetr 1973 U wines endate 30 Sep 1979 watts chastdatemet Jan 1975 chaendatemet Dec 1994 deltwb 600 RTE deltouth 1 U wate g da nwbsy 1 luis iwbsy 20 wales ktop 25 RE eee ntcurve 1 Gte a tcurvedate 201l Oct 1Lo7o 04 unite op_hyb 10003slpa hyb water balance op_mfl 10003slpa mfl echo of drainage or runoff entries op_rcl 10003slpa rcl basic information on repr channel op_rc2 10003slpa rc2 additional information on repr channel op_cwa 1 10003slpa cwa concentrations water layer op_csl 10003slpa csl concentrations sediment sub system op_mwa 1 10003slpa mwa mass balance water layer op_mwl 10003slpa mwl mass balance segment water layer op_msa 10003slpa msa mas
86. A description of the columns in the file is given in the header under Key to columns in table 64 Alterra rapport 586 x FETE HH HEE tH HEER HH Hi EEEH FOCUS_TOXSWA v2 2 1 H Ht HH Ht tt Ht H HE ott HR TOXSWA v2 1 2 F2 as t Ht HH ttt HERRE Ft HEE TH FH TF 10 Nov 2005 z Ht Ht HH Ht tt HOH HEEE AAR ES HERH H tt tHE t HH HR HF Copyright Alterra Compiled with VisualFortran v6 6 0 TORNE Stl Sit em ees al il Sl ae ie Er WAters tt Ss soso 552552 Sso gt 22253222 323222355925 52 02 25 55 252 a SS on Ss Ss entree Alterra Wageningen UR http www alterra wur nl OE ON 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID lt OOdO2ZEL pe File name OOOO jo el Input Data for Representative Channel and Weir Channel Characteristics base flow m3 d Oa Sri mO catchment area ha 8 2000 channel length m LOA bottom slope 8 0 10E 03 bottom width m OO side slope hor vert a 0 10E 04 kManning at 1 m water depth m1 3 s y 2150 energy coeff alpha ee Weir Characteristics height crest body m 8 0 40 width crest m 3 0 50 Output Data for Channel Time Dependent Characteristics Representative Channel including Boundary Condition for Watercourse Key to columns in table AGE Me ee eee get a Mt a OE et REN o O O OA e SO Sr DS ate ADE OE A SE N SEM ND ln EED an NOUL EA
87. ALTERRA WAGENINGEN PEGS MearLeal cf Fas TOSMAvers an 2 21 MMJ Beltran MMS Ter Horst RI Achicerse A Dejong Aterra rapport 586 ISSN 1566 7197 Manual of FOCUS TOXSWA version 2 2 1 W H J Beltman M M S Ter Horst P I Adriaanse A De Jong Alterra rapport 586 Alterra Wageningen 2006 ABSTRACT W H J Beltman M M S Ter Horst P I Adriaanse amp A De Jong 2006 Manual of FOCUS_TOXSWA version 2 2 1 Wageningen Alterra Alterra rapport 586 198 pp 84 figs 12 tables 41 refs The FOCUS_TOXSWA model calculates exposure concentrations in small watercourses ot ponds these concentrations are used in the pesticide registration procedure at EU level The model concepts are shortly described The input files and output files are described and how the model can be parameterized Input data are stored in a relational database except pesticide entries resulting from drainage or runoff erosion These ate stored in separate files made by the MACRO and PRZM models respectively Model input and output can be accessed through a graphical user interface The FOCUS Surface Water Scenarios can be run easily as well as water sediment studies Keywords pesticides exposure concentration TOXSWA FOCUS surface water ISSN 1566 7197 2006 Alterra P O Box 47 NL 6700 AA Wageningen The Netherlands Phone 31 317 474700 fax 31 317 419000 e mail info alterra wut nl No part of this publication may be reproduced or
88. ASH automatically prepares these runs and adds them to the project so no special actions have to be undertaken 2 Metabolite is only formed in the water sediment studies Compare the time needed for formation of the maximum metabolite mass tem to the monthly averaged hydraulic residence time of the FOCUS surface water bodies Alterra rapport 586 95 T The monthly averaged residence time is approximately 0 1 5 and 150 d for a stream ditch and pond respectively for details see FOCUS 2001 Section 4 4 3 Etec td Formation of metabolites in the FOCUS surface water body is negligible nearly all substance has flowed out before a considerable metabolite mass has been formed ete Ses A Metabolite is mainly formed in water phase Determine the time of the global maximum concentration for the parent and enter at taobal max trom the maximum percentage of formed metabolite expressed in g m water surface atea Enter this mass as an artificial spray drift loading into TOXSWA see Section 4 9 for guidance Copy the m2t or p2t file give it a unique ID number in its directory Change this m2t or p2t loadings file of the parent into a file delivering water fluxes only by setting all pesticide fluxes in these files to 0 Couple this file to TOXSWA as indicated in Section 4 6 5 Next run TOXSWA for the metabolite You now obtain an approximate metabolite exposure concentration based on a correct hydrology T
89. Distribution of pesticide in water and sediment For the entire water body the distribution of the pesticide between the compartments is given as a function of time in the top graph Figure 4 37 In the bottom graph the distribution is given at a selected distance in the water body the mass is given per m meaning per metre length of water body Only those distances can be selected for which output for the sediment has been made i e the segment should have been selected at the Ouput Control tab of the Main form In the legends of the graphs compartments to be shown can be selected or deselected 134 Alterra rapport 586 Distribution of pesticide in water and sediment Distribution of pesticide in water body 1 400 1 200 1 000 800 600 400 200 0 u 0 100 150 200 250 300 350 400 Day number since 01 Jan 1986 Distribution of pesticide at selected position in water body Vv Sorbed sed Vv E Dissolved sed lv EN macrophytes lv w Susp solids Vv GM Dissolvea 450 Distance m EE M aj 150 200 250 300 350 Day number since 01 Jan 1986 M Show markers Figure 4 37 Graph Distribution of pesticide in water and sediment iv sorbea sea Vv EH Dissolved sed lv MM Mecrophytes Vv El Susp solids Vv EN Dissolved Help B Print Close 7 Mass balance of pesticide in water layer In the top graph the positive terms of the pesticide mass balance of the entire water layer are shown as a function of ti
90. Do not edit the original files so they can serve as a back up The TOXSWA directory in the SWASHprojects directory contains the following two input files A general input file txw A meteo input file met The third input file can be found in the MACRO or PRZM directory of the SWASHprojects directory depending on whether the run has a lateral entry of drainage or runoff erosion Drainage input file m2t Runoff erosion input file p2t Of course simulations should be performed with the MACRO or PRZM model before the drainage input file or runoff erosion input file are available in the SWASHprojects directory You can change the name of the input files but the extensions are fixed Assuming that the TOXSWA is installed in the directory C SWASH TOXSWA you can start the model by typing C SWASH TOXSWA toxswa focus RunID where RunID is the first part of the name of the general input file If for example the name of the input file is test1 txw you can start the TOXSWA kernel by typing Alterra rapport 586 23 C SWASH TOXSWA toxswa focus testl The Run ID has a maximum length of nine alphanumerical characters If you wish to run the model several times it may be handy to create a batch file toxswa bat which contains the following two lines echo off C SWASH TOXSWA toxswa focus testl If the batch file is put in the working directory the model can be run by typing toxswa_focus followed by the
91. E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 4019E 02 4019E 02 4019E 02 4019E 02 cuvol SOLS oS OLS sl o SOLS 505 E 05 79 Ee aa o E S KA NEEN HCN ALS totmwln 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 od S Les OS TOS 1288E 03 hek Alke ee Mat E bie ne a eee Ose AIRES A E ME ME TA IE AET E NA ME ERM ET MIE NC MET MR NEE HEEE HE Ht tt EEEE HH Ht HHH FOCUS_TOXSWA v2 2 1 HH Ht tt Ht Ht HH HH Ht tt HR TOXSWA v2 1 2 F2 HH Ht tt Het HRE Ft tHE FE FH HH 10 Nov 2005 HH Ht tt Ht Ht ttt HR AAR HH Hd HH He HHH HH HH HHR Copyright Alterra Compiled with VisualFortran v6 6 0 OA ale E SU ley B AE COS at igh S i we Ge eh et a WAters Alterra Wageningen UR http www alterra wur nl PO Box 47 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID 00002d_pa File name 00002d_pa msa Mass balance of the top 0 050 m of the entire sediment all sediment subsystems of water body as a function of time Key to columns in table iL E Date and hour oa E Time d AN Mass missing in balance of all terms g 4 bal Mass missing in balance of all terms as percentage of initial mass loadings adsorbed to eroded soil and incoming mass from water layer and upward seepage 5 initial Mass initially present in sediment layer g 6 tu
92. FH Fortran v6 Copyright Alterra Ht t Ht t tt HEE HH EEEE HH Ht Ht OF L Jol 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 0000000E 00 TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID 00002d_pa File name 00002d_pa cwa Concentrations as a function of time for all segments of the water layer Key to columns in table 1 Dat Hr Date and hour 5 DE Time d 3 segm Segment number in water layer RASO Position of middle of segment in the water layer m DEA Total mass concentration of substance in water segment g m3 Sage Mass concentration of substance dissolved in water g m3 Wo 23s Mass concentration of substance sorbed to suspended solids g g 8 Xmp Mass concentration of substance sorbed to macrophytes g g iL 2 3 4 5 6 Davee irs E segm xcd cx e O1 Jan 1 996 00200 CE KONG Ik 5 000 0 0000000E 00 0 0000000E 00 Ui Jan 1996 00200 0 000 2 1E OO 0 0000000E 00 0 0000000E 00 01 Jan 1986 00 00 0 000 3 25 000 0 0000000E 00 0 0000000E 00 01 dan 1 93600200 0 000 4 35 000 0 0000000E 00 0 0000000E 00 01 Jan 1986 00 00 0 000 9 45 000 0 0000000E 00 0 0000000E 00 01 tan 1988 00 300 0 000 6 55 000 0 0000000E 00 0 0000000E 00 o geirn 15995600 00 0 000 y 65 000 0 0000000E 00 0 0000000E 00 4i Jan 1986 gt 007 00 C2000 8 de 0 0000000E 00 0 00000
93. Hydrology of water bodies qseif m3 m2 d constant upward or downward seepage through sediment 0 0 01 expressed as volume of drained or supplied water divided by contributing plot area and time colot g m concentration of pesticide in upward seeping incoming water O 1 op_vafl a switch for constant flow of water in time and space or a Osse L variable flow in time and in space because of incoming drainage or runoff water 0 constant flow 1 variable flow op_hd switch for hourly or daily data on drainage runoff entries 0 0 1 hourly 1 daily delthy s calculation time step for water balance calculations of the pond or 1 86400 the watercourse wdh m if op_vafl 0 constant flow of water in time and space constant 0 01 2 0 water depth in pond or in watercourse u m d constant flow velocity in pond or in watercourse 100000 100000 op_powc switch for pond one segment or watercourse more segments 0 1 with one water depth 0 pond 1 watercourse arpo ha size of area surrounding the pond from which drainage or runoff O 50 water and pesticide mass will flow into the pond arerpo ha size of area surrounding the pond from which eroded soil O 50 including pesticide sorbed onto the soil will flow into the pond Qbasepo m3 d base flow i e minimal inflow into pond occurring even when 0 001 50 there is no runo
94. If present uninstall FOCUS_TOXSWA 1 1 1 by uninstalling TOXSWA_GUI 2 4 2 confusingly the name of the GUI is shown in stead of FOCUS_TOXSWA 1 1 1 as label in your Add or Remove programs window Run the Setup exe program and follow the on screen instructions Putting back FOCUS_TOXSWA 1 1 1 Uninstall FOCUS_TOXSWA 2 2 1 Run the Setup exe program of FOCUS_TOXSWA 1 1 1 and follow the on screen instructions Alterra rapport 586 183 It is not possible to install SWASH twice on a PC on different drives is also not possible When results of the two FOCUS_TOXSWA versions need to be compared it is recommended to do this via uninstalling and installing FOCUS_TOXSWA versions This does not affect the database and the SWASHprojects directory It is possible to install both versions of FOCUS_TOXSWA on your PC During the installation of FOCUS_TOXSWA 2 2 1 the installation of this version can be directed to e g C SWASH TOXSWA_2 FOCUS_TOXSWA always has to be installed in a subdirectory of SWASH otherwise FOCUS_TOXSWA will not find the database It is not recommended to use both versions in parallel because this is not thoroughly tested unwanted interferences may occur when the user switches between th two versions too often Hard and software requirements Operating systems TOXSWA will run on Win98 SE WinNT4 SP5 or greater Win2000 WinXP TOXSWA is not likely to run on Win95 machines
95. OO 06356 OST ELO Tar COO 450 One Das 0 00 0 349 0 400E 09 0 100E 03 75 000 525 0 34 0 34 SA MOA 0 431E 09 0 100E 03 PS ONO 600 0 334 0538 0 00 0 334 0 465E 09 0 100E 03 75 000 GPs 0 326 Docs ORDO Usas Ds 003 09 Us LOOR DS 75 000 OE Oa SIES Oe 0 00 Oe vO S46R 09 0 100E 03 75 000 825 omo omon OOO see OSE O OOS 75 000 900 0 304 0 30 0 00 0 304 0 645E 09 0 100E 03 75 000 oo On oe 0 30 0 00 0 296 0 704E 09 0 100E 03 75 000 050 0 289 05 ISI SS VOLE Oel OORD Le 000 1295 US 0 28 0 00 0 28 0 845E 09 0 100E 03 75 00 200 0 274 OE OE OG 278 GEE E LOOR Ee AVSI 0 266 Ors OOO Ob Om OZBE O 1T00E 03 Han DU 0 299 0 26 Oee Oron OEE DS Us I0DB 05 75 001 1425 Oz 025 000 0 251 01265608 0 100E 03 1800 LOS 0 244 0 24 0 00 0 244 0 140E 08 0 100E 03 HD AO 0 236 0 24 O00 LAS O LSTE 0S OU IUOE 03 heen 650 229 oS COO OAA OAOA 0 TODE 03 1500 TEA OEE OEE OG OEZ QO L9SE 08 O 1L00E 03 dae 800 0 214 OL 0 00 0 214 0 224E 08 0 100E 03 75 002 bei ee ar 0 206 0 21 0500 07206 0 255ER 08 O0 100E 03 TS 002 19505 Oer 0 20 000 OL VIS Wee OC LOGES TS 002 2025 Ore SEM 0 00 Os lot 0 3384R 08 0 IODE 03 79 002 2100 0 184 ORENS O00 Oded OSa O8 0 100E 03 PO AS a TS OLS 0 00 0 176 0 450E 08 0 100E 03 Fo 003 2450 MEA oma OO OG EGS Oe SAna OS Oe LOOTS PIR OOA ASAS DS STO 000 70 18 0 623E 08 0 100E 03 75 004 2400 0 154 Ogee 0 00 0 154 0 742E 08 0 100E 03 A OS 0 146 0 15 0 00 0 146 0 892E 08 0 100E 03 Ta 006 2550 om9 0 14 DEO VO oo BE US LOE Jo 2620
96. P Ee 01 May OS TU 2 18 NIZA OZ DE 700 3 484 a o A o Ms A e E eh AA SIS 484 484 485 Se 958 000 pe e se ER mo Ae fluxes leaving the 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 OTOP ON SAO ATO NON A Pies OU ONS Es ON 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 ZE ON SE Ou OE ON 1276E 07 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 cuinsln SONO SONO 3676 3676 Figure 3 18 Example of am output file of FOCUS_TOXSWA Alterra rapport 586 E 01 E 01 E 01 E 01 cuinfn 23305 53305 53308 OS E 02 E 02 E 02 E 02 cuinen 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 cuinwbn 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 1423E 02 1424E 02 1424E 02 1425E 02 e a a a e Pa 10 cuouwbn 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 STE ST LGE ESSO ST LOOD TA cuouen T62 O2 63012 SOD E 02 E 02 E 02 E 02 112 cuoufn 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 13 cutfn 0000E 00 0000E 00 0000
97. S0 Output Date 1986 Jan 01 04 00 Situation at Weir Water depth on top weir crest m 0 001 Water depth in front weir m d 0 401 Alterra rapport 586 ee as E der RET Re ES GX AE ESE A O AA A See ee OR gt TE A TE A A Te E SR IR A E e TAS A TE E A A A Situation at Uniform Flow Uniform flow depth m 0 026 Number of iterations for uniform flow depth 8 25 Froude number for assumed uniform flow situation 0 003 Backwater curve in representative channel Size of water depth steps for direct step method 0 00750 delh negative h decreases in upstream direction M1 type of flow profile delh positive h increases in upstream direction M2 ere HA CYPE Chow IOS Bees Output for representative channel backwater curves Key to columns in table o Jel Water depth m Zo eds Cross sectional area of flow m2 Sean Flow velocity m d 4 En Specific energy m Do Sue Friction slope 6 DifSlo Difference between bottom slope and average friction sl 7 Rea Length of the reach between the consecutive steps m do Bis Distance from weir in upstream direction m 2 3 4 5 6 Y h A En Sue Da ie SAL Rea 0 40 0 40 0 00 0 40 0 247E 09 0 000E 00 100 000 Os 0 394 O39 0 00 0 394 0 264E 09 0 100E 03 75 000 TASES 0 386 039 000 0 300 OZBE 09 Oe LOGES 75 000 TSOR O STS Ore OO DE EADE OOR 75 000 229 ORSTA OS Ordo Ole 10 a278 09 WALES 15000 300 0 364 0536 0 00 0 364 0 346E 09 0 100E 03 75 000 ae 05356 0 36
98. TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa ED B OOV File name 00002d pa ech Echo of all TOXSWA input Section 1 Run characteristics project_H_sw prname D6 Meteo station Thiva locname FOCUS Run runcom 0 op_hyd Thiva met path and name met file c swashprojects project_h_sw macro cereals_winter macro00002_p m2t path and name rodr file 0l Jan 1986 S05Apr 1987 Jan 1977 Dec 1994 600 000 0 2 01 Jan 1986 04 50 stdate endate chastdatemet chaendatemet deltwb s deltouth hr nwbsy iwbsy ktop ntcurve tcurvedate op_hyb op_mfl Spore OPB op_cwa opel op_mwa op_mwl op_msa op_ms op_dba op_db op_mob Alterra rapport 586 Section 2 Definition o 100 000 0 000 0 000 10 Table WaterBodyPropertie Segment lesedit m i 0 000 2 10 000 3 0 000 4 0 000 5 0 000 6 0 000 7 0 000 8 0 000 9 10 000 WO 0 000 End_Table 1 000 0 100E 04 0 100E 0 15 000 0 900E 0 0 000 Table IniConWaterLayer Segment castwl f water layer and sediment xdit m xfb m xeb m nxnodit S wibot m Sek wdhfl m coss g m 3 Tems 5 dwmp g m 2 g m 3 at 0 000 2 0 000 B 0 000 4 0 000 5 0 000 6 0 000 J 0 000 8 0 000 9 0 000 10 0 000 End_ Table 0 000 eee erm 0 LOG zwb m 0 000 zebb m 14 nznowb Table SedimentProperties layer thickness bdwb por TOn raomwb mm kg m 3 Ge gt kg kg
99. WA Graphical User Interface you do not need to bother about all the relationships The TOXSWA Graphical User Interface makes it easy to e access standard scenarios as defined by the FOCUS Surface Water Scenarios Working Group FOCUS 2001 e select one or more model runs for execution e actually perform one or several model runs e display a summary report containing annual water and mass balances the maximum concentration in surface water and sediment of the water body and the output as agreed in the FOCUS Surface Water Scenarios Working Group FOCUS 2001 e display model results graphically e export graphs in Bitmap format bmp or in windows meta files format Section 4 3 describes how FOCUS Step 3 runs can be executed with the TOXSWA GUI In Sections 4 4 4 10 the set up of the TOXSWA GUI is described into full detail to enable the user to perform FOCUS Step 4 and other runs Section 4 11 describes the graphical output that can be viewed The SWASH TOXSWA database and SWASH User Interface are designed to facilitate the set up of FOCUS Step 3 runs The SWASH TOXSWA database contains data for the FOCUS drift calculator the drainage model FOCUS_MACRO the runoff model FOCUS PRZM SW and for TOXSWA The SWASH User Interface is used to set up the input for the FOCUS drift calculator MACRO PRZM and TOXSWA Figure 4 2 shows the hierarchy within the TOXSWA GUI The highest level of the TOXSWA GUI evel 1 is the project level This
100. Zande 2003 The IMAG Drift Calculator contains the so called Dutch drift table used for registration purposes in the Netherlands Drift deposition on FOCUS like water bodies can be calculated according to the Dutch deposition data The values of the IMAG Drift Calculator are not automatically transferred to TOXSWA The user has to fill in the values for drift deposition manually at the TOXSWA Spray drift events form in the TOXSWA shell Section 4 9 2 On the right hand bottom end of the screen the user has access to the Help of TOXSWA or he can leave the TOXSWA GUL Alterra rapport 586 99 Select TOXSWA project Name Description Last modified SWASH project E project _0 Example project non FOCUS 10 3 2003 13 53 45 True project_H_sw Example project 1 23 1 2006 14 35 20 True Example project 2 23 1 2006 14 35 28 lw lt Open selected project oY OK Copy m m Name projects Description Example projet Go to SWASH Help fl Ext Figure 4 5 The Projects form of the TOXSWA GUI 4 7 Main form TOXSWA project project name The Main form appears after selecting a project and pressing the OK button in the Projects form Its title displays the name of the selected TOXSWA project Figure 4 6 This form is the central point from where the different tables of the database can be accessed the model runs can be started and graphs from the TOXSWA output can be viewed The status bar
101. _vafl 0 constant water depth in pond or in watercourse constant flow velocity in pond or in watercourse switch for pond one segment in water layer or watercourse more segments with one water depth 0 pond 1 watercourse If op_powc 0 size of atea surrounding the pond from which drainage or runoff water and pesticide mass will flow into the pond size of area surrounding the pond from which eroded soil including pesticide sorbed onto the soil will flow into the pond base flow i e minimal inflow into pond occurring even when there is no runoff or drainage water entering height of weir body up to crest in the pond crest width of weir located at the outflow of the pond If op_powc 1 length of representative channel bottom slope of representative channel bottom width of representative channel side slope hor vert of representative channel base flow i e minimal inflow into representative channel occurring even when there is no runoff or drainage water entering size of the area located upstream of the representative channel from which drainage or runoff water flows into the representative channel height of the weir crest above the channel bottom of the representative channel crest width of weir located at the outflow of the representative channel value of the Manning coefficient for bottom roughness at 1 m water depth energy coefficient resulting from the non uniform distribution of flow velocities
102. a number indicating the order of the run i e parent substance 1 metabolitel 2 metabolite2 3 which is followed by a 2 character code indicating whether the run is performed with a parent substance or a metabolite e g 10004s2m1 3 In projects created in TOXSWA with the button of the Navigator in the Projects form FOCUS Step 4 projects and non FOCUS projects the runID consists of a code of nine numbers e g 000000001 A difficulty is the difference in runID numbers for FOCUS runs with a parent having two metabolites because D drainage scenarios runs use four ID numbers while R runoff scenario runs use three ID numbers For a parent with two metabolites of a drainage scenario four runID numbers are used in TOXSWA parent Le runID 00004d_pa metabolite 1 i e runID 00004d_m1 parent Le runID 00005d_pa metabolite 2 i e runID 00005d_m1 ote that the two parent runs refer to one and the same run For a parent with two metabolite for a runoff scenario three runs are necessary in TOXSWA parent i e runID 00006s_pa metabolite 1 i e runID 00006s_m1 3 metabolite 2 i e runID 00006s_m2 Zeer NR The background of this difference is that MACRO can only handle one metabolite in one simulation so it needs two simulation runs i e four runID numbers to calculate the drainage fluxes of the parent and of two metabolites PRZM can handle both metabolites in one simulation run and therefore only u
103. a function of time The files containing the measured data need to be located with the aid of the Browse button behind the option field File name For the water concentrations a distance in the water body has to be selected where simulated and measured concentrations can be compared At this same distance the sediment concentrations are compared for the selected depth Note that only those distances or that depth can be selected with the pick list for which simulation results are available i e were selected at the Ouput Control tab of the Main form Check that the selected distance and depth of the run are consistent with the measured data If the tick box Show standard deviation is marked the standard deviation of the measured concentration is shown in the graphs as well Alterra rapport 586 141 Graphs of simulated concentrations as a function of distance After having selected the files with the measured data with the aid of the Browse button the time one wants to compare the concentrations for has to be selected Check that the selected distance and depth of the run are consistent with the measured data If the tick box Show standard deviation is marked the standard deviation of the measured concentration is shown in the graphs as well Select run to compare with xj Current RunlD Current Run name 000000003 Example Vredepeel drainage substance D Calculated Runs Measured Concentrations M Measured concentra
104. a of Sweerts ef al 1991 originating from investigations of freshwater sediments cover approximately 1 3 of the whole data set Boudreau used to fit his empirical equation The other 2 3 of Boudreau s data set were from marine sediments The study of Sweerts ef al 1991 is based on experimental data of sediments from medium sized and small lakes covering a large porosity range 0 41 0 96 and different sediment types including sand silt peat and flocs consisting of 0 1 37 3 organic carbon Sweerts ef al 1991 suggested that the tortuosity decreased in high porosity sediments because the viscosity of the porewater was enhanced by dissolved or gel like organic compounds obstructing diffusion Tortuosity factor 1 0 0 9 0 8 0 7 0 6 0 5 E y a Nye amp Tinker 0 4 L a Boudreau j ma cs Leistra on measurements Sweerts ws 0 3 ie L L L 1 L 0 3 0 4 0 5 0 6 0 7 0 8 0 9 1 0 Porosity e Figure A5 1 The tortuosity factor as function of porosity The lines indicate tortuosity factors calculated with equations of Nye and Tinker 1977 of Boudreau 1996 and of Leistra 1978 The dots indicate tortuosity factors calculated by Sweerts et al 1991 from measurements in freshwater sediments 1 Other authors define the product el as being the tortuosity factor or as the tortuosity which causes confusion We define tortuosity as the effect of traversing a tortuous path
105. and Hornsby e al 1996 list saturated vapour pressures and temperatures at which they have been measured for most pesticides mepsat molar enthalpy of vaporization The enthalpy of vaporisation depends on the substance Smit ef al 1997 estimated an average enthalpy of vaporisation of 95 kJ mol from literature data covering 16 pesticides range 58 to 146 kJ mol The saturated vapour pressure is a basic physical property of the substance hence the average estimated by Smit ef a 1997 is valid for surface water as well We suggest using 95 kJ mol as the default value when the enthalpy is not available cosol solubility in water tesol temperature at which solubility was measured The Henry coefficient is calculated in TOXSWA using the solubility of the pesticide Gj Tomlin 2000 and Hornsby ef al 1996 list solubilities and the temperature at which they are measured for most pesticides mesol molar enthalpy of dissolution The enthalpy of dissolution depends on the substance For most pesticides an enthalpy of dissolution of 27 kJ mol can be taken as default value see Bowman and Sands 1985 range was 17 to 156 kJ mol kdmpdit slope sorption isotherm based at dry weight macrophytes distribution coefficient Coefficients of sorption to macrophytes are hardly available Crum et al 1999 studied the sorption of nine pesticides to the aquatic macrophytes Chara globularis Elodea nuttallii and Lemna gibba The
106. and run Below an overview is given of all steps in SWASH MACRO and PRZM that are necessary to create open and run a FOCUS Step 3 project in TOXSWA 1 Start SWASH 2 Define the substance or select an already defined substance from the SWASH database 3 Use the FOCUS wizard to define a project for the specified substance and crops you wish to consider 4 Press View Projects and Define Applications and fill in the relevant application pattern so by editing the given default application pattern if necessary and check all other run specifications 5 Press the button Export FOCUS input to MACRO PRZM and TOXSWA with all options selected 6 Print the project report 7 Click on the MACRO button on the upper bar of the SWASH main screen to start the MACRO shell SWASH remains in the task bar 8 Run MACRO for all D scenarios listed in the project report Do not forget to create the m2t output files after having finished the MACRO runs they are automatically stored in the correct directories 9 Exit the MACRO shell and enter SWASH again 10 Click on the PRZM button on the upper bar of the SWASH main screen to start the PRZM shell and SWASH closes 11 Run PRZM for all R scenarios listed in the project report The p2t files are automatically prepared during the PRZM runs and placed in the correct directories 12 Exit the PRZM shell and enter SWASH again 13 No action is needed to calculate the spray drift deposition onto t
107. apport 586 175 pesticides range 58 to 146 kJ mol The saturated vapour pressure is a basic physical property of the substance hence the average estimated by Smit ef al 1997 is valid for surface water as well We suggest using 95 kJ mol as the default value when no value is available The effect of the temperature on the water solubility is derived from the Van t Hoff equation via AH 1 1 c T c T ex sol A3 sol arl ref pl R a Leistra ef al 2001 with Cool solubility of substance in water g m AH sol enthalpy of dissolution J mol The enthalpy of dissolution depends on the substance For most pesticides an enthalpy of dissolution of 27 kJ mol can be taken as default value Bowman and Sans 1985 found a range of 17 to 156 kJ mol Note that using the default values 95 and 27 kJ mol implies that the Henry coefficient increases with temperature corresponding to an activation energy of 68 kJ 1 mol 176 Alterra rapport 586 Appendix 2 Input files for FOCUS_TOXSWA The input of the FOCUS_TOXSWA program is organised in three input files The files are txw met m2t or p2t Main TOXSWA input Meteorological data Lateral entries data of respectively drainage or runoff erosion The txw input file contains values for all parameters needed to execute a simulation run The met and m2t or p2t files contain time series defining the environment and i
108. ar 41 0 2037 o Bes we Apr 8 0 0429 Oe 4 OA 06 29 12 Monthly mass balance of the water layer alk mass initially present in water layer g mass entered via lateral loadings g month 1 mass entered via upstream end g month 1 mass entered via sediment g month 1 mass penetrated into sediment g month 1 mass flowed out at downstream end g month 1 mass flowed out at upstream end g month 1 mass transformed g month 1 mass volatilised g month 1 mass remaining in water layer g ls 0 000 g Month cuinsl cuinub cuinwb cuouwb cuoueb cuoufb dan 16952 0 00 0 000 SO OS LEE 0 000 Feb 98 276 0 000 0 000 0 034 98 249 90 000 Mar S NSN 0 000 0 010 0 000 Ge L55 01 000 Apr 1 268 0000 OLE 000 1 30 0 000 May 0 000 0 000 0 009 0 000 0 010 GO 000 Jun 0 000 0 000 0 004 0 000 0 004 0 000 Jul 0 000 0 000 0 003 0 000 0 003 0 000 Aug 0 000 0 000 0 002 0 000 0 002 OG 000 Sep 0 000 0 000 0 001 0 000 0 001 0 000 Oct 0 000 0 000 0 00 0 000 O OIO 0 0100 Nov 32029 0 000 OOGO 0025 35 75 Oo000 Dee LUST OO D503 O 07 erie e 67 04000 Jan 67 412 0 000 0 004 0 021 67 424 0 000 Feb 36 106 0 000 O 004 SO O2L S6 003 O 00 Mar 24 038 4 000 02000 0JX0L6 24 025 02000 Apr 4 456 TOO OEE ENE AS 0 000 Monthly mass balance of the top 0 050 m of the sediment layer Key to table Alterra rapport 586 47 48 balies cuiner cuinwl cuus cuouwl cuper cut f totmwb imeskely m m m m m m m m ass initia
109. ase flow m3 d 106 300 Upstream area ha 100 000 Width plot allong watercourse m 100 000 Margin erosion m 20 000 Representative channel EX Comments Close Figure 4 22 The Hydrology watercourses form The Representative channel button gives access to the characteristics of the representative channel Figure 4 23 It represents the average conditions for a watercourse in the catchment considered channel length ero bottom slope bots r bottom width of the channel wzbotre side slope sisir constant base flow Obaserc the upstream catchment area arr height of the weir crest above the channel bottom of the channel crestbodyrc crest width of the weir located at the outflow of the channel wicrestrc K Manning bottom roughness at 1 m water depth amp Man1m and alpha the energy coefficient resulting from the non uniform distribution of flow velocities over a channel cross section a phaen The representative channel is used to calculate the variation of the water level as a function of time in TOXSWA s watercourse for the discharge coming out of the upstream catchment basin More information about the representative channel can be found in Section 2 1 of this report 120 Alterra rapport 586 Representative channel Representative channel Length m Bottom slope m Bottom width rm Side slope hor ver Base flow m3 d Upstream area ha Weir height m Weir width m
110. ate Available to be able to view and compare the data Alterra rapport 586 139 Select run to compare with Current RunlD Current Run name 00002d_pa Cereals winter_D6_Ditch Calculated Runs Measured Concentrations Browse Projects Name Description Example project non FOCUS Dy project H sw E project _6_sw Example project 2 3 A c_project_H_sw copy_Example project 1 L Browse Runs 00001p pa Cereals winter_D4_Pond Available 00002d_pa Cereals winter_D6_Ditch Available 00003s pa Cereals winter_A1_Stream Help Even Close Figure 4 42 Example of the Select run to compare with window of the TOXSWA GUI with tab Calculated Runs If both project en run are selected the user may press the View button A window appears with at the top of the page the graph of the original run and at the bottom of the page the graph of the run the user wants to compare the upper graph with Figure 4 43 In some cases the program will ask the user to select a water layer segment The axes of the graphs can be customised using the button Options in the right hand upper part of the window Section 4 11 2 Furthermore the same options Save as Clipboard Print and Close as for a magnified graph are available see Section 4 11 2 The tick box Scale Axis at the lower left hand corner allows the user to make a scale of the x axis of the lower
111. ation Code JE B Comments Name Test compound 1_sw Molar mass g mol 190 30 Saturated vapour pressure Pa 1 700E 2 measured at C 20 0 Molar enthalpy of vaporisation Jmol 935000 0 Solubility in water mg l 6 000E 3 measured at C 25 0 Molar enthalpy of dissolution Jmol 27000 0 Diffusion coefficient in water m d 4 30E 5 Figure 4 4 The edit box of the Substances form In the edit box of the form the user can edit the record selected in the browse box above The TOXSWA GUI has four categories of data fields e ordinary data fields where the user can enter a text string a data string of numerical data The TOXSWA GUI will perform range checking after entry of the data C Detailed e radio buttons e g General where the user can select only one of the shown options e pick lists e g Test compound 1_sw ee E where the user can make a choice between a number of options The button to the right of a pick list a square with three dots allows the user to edit the underlying tables i e go to a lower hierarchical level Additional output hydrology e check boxes e g where the user can switch variables on or off Most forms ate provided with a comments button which allows the user to add comments ot meta data in a text box 4 6 Projects form The TOXSWA Projects form appears after starting the TOXSWA GUI The Projects form allows you to organize
112. balance of water layer mass balance of specified segment in water layer mass balance of sediment mass balance of specified sediment sub system in sediment distribution of substance in total water body water layer and sediment distribution of substance in specified segment water layer and underlying sediment sub system monthly water and mass balances Alterra rapport 586 Input files The names of the meteo file met and the drainage file m2t or the runoff file p2t have to be entered When they are in the same directory as the txw file the paths do not have to be given When a file is in a different directory than the txw file the path has to be indicated as well Simulation and meteo data periods The starting and end dates of the simulation have to be entered in seconds using the indicated format Chastdatemet is the starting month for which an average temperature is given and chaendatemet is the last month for which an average temperature is given These dates should correspond with data that feature in the met file not necessarily the first and last data in that file Simulation options The calculation time step for sediment de twb has to be entered The time step for output de touth defines the output time step in hours of the mass balance The output of the hydrology is always given on an hourly basis and thus needs to be specified Nwbsy is the number of water layer segments with their underlying sediment
113. be homogeneous only one sediment building block is necessary The characteristics of the building block are presented in Table 6 1 The dry bulk density of the sediment is not known Therefore it has been calculated from the texture data using Eq 5 3 Section 5 3 The median particle size of the sand was estimated as 160 ym based on the particle size class of 105 210 um indicated for low loam sandy soils by W sten ef al 2001 The porosity has been calculated using Eqs 5 4 and 5 5 Section 5 3 The tortuosity has been calculated with Eq 5 6 Section 5 3 The organic carbon of the sediment of 0 9 has been converted into organic matter content by multiplying by 1 724 according to FOCUS 2003 see also Section 5 3 162 Alterra rapport 586 Table 6 1 Parameter values for the sediment in the example water sediment study Parameter Value Thickness of layer m 0 025 Dry bulk density kg m 1536 Porosity 0 417 Tortuosity 0 364 Mass ratio of organic matter kg kg 0 016 Note that the dry bulk density porosity and tortuosity differ from the values given in Annex 12 of FOCUS 2005 because slightly different equations have been used see footnote in section 5 3 TOXSWA Sediment Building blocks Browse Building Blocks Building Block Code Bulkdensity kg m Mass ratio o m kg kg FOCUS SB1 800 00 0 600 0 600 0 090 Vredepeel SB1 80 00 0 820 0 820 0 250 E Vredepeel SB2 220 00 0 770 0 770 0 130 A Vredepeel
114. ch was developed and in Step 3 various deterministic models are used to simulate the pesticide entry routes spray drift drainage and runoff erosion The TOXSWA model is used to simulate pesticide fate in three types of water bodies The FOCUS Step 3 scenario calculations are supported by TOXSWA The entry route models as well as TOXSWA are parameterized in the overall shell SWASH In SWASH the following steps should be followed to parameterize the models Specification of pesticide properties including the half life at reference temperature in soil in water and in sediment the coefficient for sorption on organic matter in soil suspended solids and sediment the saturated vapour pressure at reference temperature and the solubility in water Selection of crop type Selection of water body types pond ditch or stream Selection of one or more scenarios Selection of application method number of applications application rate period during which the pesticide is applied and the minimum required interval between applications OV PS By selecting a combination of crop type water body type scenario and application data most model inputs are fixed The parameterization of the FOCUS Step 3 water bodies and hydrology is described in Chapter 4 and Appendix E of FOCUS 2001 In Chapter 7 of FOCUS 2001 also some guidance on the parameterization of the pesticide input parameters for TOXSWA is given In higher tiers of the registration proced
115. cide loadings MR A A A DN TO SS LN a Ney Magen ag ey age Merny Sry Saya ye ary ee eye ery ni et ew ees op else 1 I Weg op legie i U Weg op elko S 0 Weg neldsd 1 Lies chatldsd applot mldsd 30 Dec 1899 00 1000 0 127 28 Alterra rapport 586 OE g ha mg m 2 stxldsd 0 00 AN dE enxldsd 100 00 LITO ay opl_lddr 2 E biae a op_lddrhd 0 i wiles stxlddr 0 00 AR enxlddr 100 00 Source a op_ldupbound 0 Wikies rasuupbound 0 00 viales A A A A A A A Ge A A A A A A i ae ANEAN Ce AS AE eee x Section 5 Substance properties Dee eee ae A np AS A ASA A A A A ee ee ee ee ee ee eee tat E suname H_sw mamol 300 00 L owes g mol psat 1 000E 07 Gates Pa tepsat 293 15 mulas IE mepsat 95000 0 unes mol cosol 1 000E 00 Pane CNAS tesol 293 15 Lo wines JK mesol 27000 0 unit J mol kdmpdit 0 00000 Lats mo ay ke kdomssdit 0 05800 Dh wigabies l coobkomss 1 00E 03 ISS MS Figure 3 1 Example of tron input file for FOCUS_TOXSWA 3 3 1 1 Section 1 Run characteristics This section contains some general information names and paths of input files simulation settings and output options Table 3 1 presents the parameters in the sequence in which they appear in the txw file and gives a short explanation of each parameter General information The name of the project the location and some run comments can be entered Hydrology simulation When a tun needs to be repea
116. data Sediment Selected sediment subsystem Monthly water and mass balances Concentrations Distributions Wv Water layer v t t ted locati V Selected sediment subsystem Y ae V Substance in total water body Drainage Runoff Echo of water and substance entries Help x Cancel Figure 4 11 The TOXSWA output files form Please note that when the check box All files for graphical output selected on the Main form is marked the output options selected for the individual run via the Output Control tab are overruled 4 7 8 Run Status tab The Run Status tab page presents the date the run was created as well as the date that it was modified for the last time The error file is always created it displays messages Alterra rapport 586 109 concerning warnings errors and run time Figure 4 12 Press the View error file button to see the entire error file err Run Components Lateral Entries Simulation Control Output Control Run Status RunlD O0002d pa TOXSWA error file messages Creation date dd mm yyyy 18 09 2002 End of simulation The run time was l minutes and 53 seconds Modification date dd mm yyyy 18 09 2002 E 7 No warnings during run View error file Figure 4 12 Run Status tab of the Main form 4 8 Editing Scenarios At the Scenario tab Pressing the button behind the Scenario Name option field will lead to a lower hierarchical lev Sin TOXSWA the Scenarios form From the
117. de in the sediment as a function of time 136 Alterra rapport 586 8 Mass balance of pesticide in sediment In the top graph the positive terms of the pesticide mass balance of the entire sediment layer are shown as a function of time Figure 4 39 In the bottom graph the negative terms of the balance are shown The line in the top graph indicates the total mass present in the sediment layer of the water body In the legends the check boxes enable the user to select the balance terms to be shown 4 12 2 Manipulating the graphs Each of the charts can be enlarged and be presented in a single window by clicking the button with a magnifying glass al Figure 4 40 shows an example of a magnified graph The window can be exited by pressing the Close button _ cose Close Charts can be printed by pressing the Print button Print ES The button Clipboard EX Clipboard can be used to copy the graph to the clipboard This is a typical Microsoft function From the clipboard the graph can be inserted in for instance Word for Microsoft Windows by the option paste in the program or the shortcut CTRL V The button Save as fel Save as A is used to save the graph as a Windows meta file wmf or a Bitmap file bmp The size of a Bitmap file is smaller less Kb than the size of a Windows meta file The quality of the picture is also less Alterra rapport 586 137 Water drained or runof
118. ditional sediment by sedimentation of suspended solids Therefore Alterra rapport 586 21 increases in sediment thickness and deposition of suspended solids on the bottom have not been incorporated in TOXSWA Neither has resuspension been included The sediment has been divided vertically into subsystems in the direction of flow in the watercourse see Figure 2 2 These subsystems are composed of thin horizontal layers segments in which pesticide concentrations are calculated determined by the pesticide concentrations in the overlying water layer It has been assumed that lateral interaction between the sediment subsystems does not occur TOXSWA does not include the possible variation of transformation rate in time caused by e g changes in acidity and intensity of light In estimating the parameters for transformation one should keep in mind which period one wants to characterise To obtain a 24 h representative transformation rate one may e g average the transformation parameters determined with and without light weighing them for the duration of the day and night period It should be stressed that TOXSWA is a model hence a simplification of reality One should therefore always be cautious when drawing conclusions from the simulation results Keep in mind that the quality of the model results is limited by the quality of the input data Therefore careful selection of the input data is of utmost importance Experiments are done to cal
119. e waters with highly variable discharges and water levels Therefore the TOXSWA model was expanded by including a transient flow module and it was coupled to the runoff and erosion model PRZM and the drainage model MACRO The TOXSWA model together with its Graphical User interface GUI and database is the FOCUS_TOXSWA tool The FOCUS_TOXSWA model including its graphical user interface and database was developed from 1998 up to 2002 by a project team consisting of pesticide research scientists of Alterra and software engineers of WISL Wageningen Software Labs The Dutch Ministry of Agriculture Nature and Food Quality funded the TOXSWA development Erik Querner Alterra and John Hollis NSRI Cranfield University UK contributed to the water flow concepts in FOCUS_TOXSWA their contributions are gratefully acknowledged Also Erik van den Berg Alterra is thanked for doing the final quality check of this document This manual describes the FOCUS_TOXSWA model version 2 2 1 released in December 2005 It is an updated version of FOCUS_TOXSWA_ 1 1 1 released in May 2003 in which Alterra rapport 586 9 bugs have been repaired and the simulation of water sediment studies is now possible This version of the FOCUS_TOXSWA tool is intended to simulate so called standard Step 3 FOCUS Surface Water Scenarios as well as higher tier FOCUS Surface Water Scenarios FOCUS TOXSWA 2 2 1 always needs to be coupled to an output file of the runoff and ero
120. e Output Control tab The Output Control tab on the TOXSWA Project projectname form offers the possibility to define for each individual run of a project the wished output files see Section 4 6 7 After having checked that all input is correct and the wished output files are selected the run can be started A powerful feature of the TOXSWA GUI is that it is possible to execute multiple runs in a series so it is not necessary to wait with starting the second run until the first run is ready When all desired runs are selected the Calculate button can be pressed to run the model Every time the Calculate button is pressed the TOXSWA GUI will generate the TOXSWA input files and weather data files of the files selected for execution This can take some time Be aware that this also means that when the input files were changed outside the GUI those changes are lost because the GUI recomposes the input files and so the edited input files are overwritten After a while a console window with the logo of the TOXSWA simulation kernel appears The user can follow the progress of the simulation in this window Use the CTRL C option of the keyboard of the pe to interrupt the model execution The actual computation time depends mainly upon the number of numerical segments in the water layer To give an indication execution of the stream FOCUS scenario for field beans in Skousbo took about 11 minutes on a Pentium 4 2 26 GHz computer with me
121. e are no lateral water and associated pesticide fluxes entering the water body The file name option field shows empty in this case When lateral entries have to be simulated a variable hydrology in the water body is assumed The wished hydrology needs to be selected at the Scenarios page The Fluxes section shows two radio buttons Hourly fluxes or Daily fluxes The latter option is not operational in FOCUS TOXSWA 2 2 1 Therefore these options ate greyed out Run Components Lateral Entries Simulation Control Output Control Run Status JV Simulate drainage or runoff entries File name C SwashProjects project_H_ sw MACRO cereals_winter macro00001_p m2 eS Fluxes e C Figure 4 8 Lateral Entries tab of the Main form lateral entry is drainage calculated with the model MACRO 4 7 6 Simulation Control tab This tab page contains general options for controlling the simulation run Figure 4 9 106 Alterra rapport 586 Run Components Lateral Entries Simulation Control Output Control Run Status Run option Run hydrology and then substance Calculation time steps Hydrology s 600 Sediment layer s 600 Start 7 Stop Start date dd mm pyyy 01 01 1985 Stop date dd mm pyyy 30 04 1986 Figure 4 9 Simulation Control tab of the Main form In the Run option field op_hyd the user can indicate if hydrology as well as mass balance need to be calculated or only the hydrology or only
122. e calculation of TWA values m5 In v2 2 1 the minimum values that can be entered for the transformation DT50 in water and the transformation DT50 in sediment have been reduced from 0 1 to 0 01 d Model and shell ms1 In vl 1 1 the aeric mean deposition of spray drift mass was rounded off to 0 001 mg m2 by the GUI into the TOXSWA input file At low application rates or low spray drift percentages due to large buffer zones this resulted in inexact PECs In v2 2 1 aeric mean deposition of spray drift mass is always written in at least four significant numbers So the FOCUS_TOXSWA txw input files prepared by v2 2 1 differ from those prepared by v1 1 1 when in v1 1 1 less than four significant numbers were written in the txw file This change results in different PECs in case spray drift deposition is low e g due to low application rates or large buffer zones and the PECS are caused by spray drift deposition and not by drainage or runoff entries The difference may maximally equal a factor 2 a mass loading of 0 0005000 mg m2 in v2 2 1 was written 186 Alterra rapport 586 as 0 001 mg m2 in the TOXSWA input file of v1 1 1 This results in a 2 times lower concentration for v2 2 1 than the one of v1 1 1 because spray drift triggered maximum PECs are a linear function of the deposited mass on the water surface Simulations of the D3 Ditch scenario with substance C_sw used in winter cereals with mass
123. e coupling to drainage model MACRO and to runoff model PRZM time step in water layer automatically optimised to decrease run time monitoring of run via on screen reporting input data stored in database easy selection and combination of scenarios application schemes and substances in Graphical User Interface management of runs in projects FOCUS Step 3 completely set up via linkage with SWASH serial execution of multiple runs that are in 1 project link to IMAG Drift Calculator 1 3 Installation and registration Official FOCUS_TOXSWA versions can be downloaded from the website of the Joint Research Centre in Ispra Italy http viso ei jtc it focus Notice that the installation of TOXSWA is the third step of the complete installation of the FOCUS surface water software package Installation of SWASH and TOXSWA is explained in the read_me_first and read_me_TOXSWA text files Appendix 3 Installing comes down to first installing SWASH and next installing TOXSWA If you encounter problems in installation of TOXSWA contact us at toxswa swash wut nl FOCUS SWASH the shell that prepares the input files for the TOXSWA model performs all runs of a specific project and presents the main output All input and output files of TOXSWA are located at C SWASHProjects projectname TOXSWA except the lateral entries input files The lateral entries files m2t made by MACRO and p2t made by PRZM are located at C SWASHProjects
124. e length on the sidewalls across which the substance in the water interacts with the sediment Above this water depth there is no exchange of substance between water and sediment e Edit the number of segments within the water layer nxnodit and their length lesedit button Segments e Change some water layer characteristics dry weight of the macrophytes per m bottom area dwmp concentration suspended solids coss and the mass ratio of organic matter of the suspended solids raomss For all parameters described above values have to be entered in the option fields in the Water layers form To edit the segments within the water layer press the Segments button A box Segments of name water layer will appear Figure 4 15 The number of segments 112 Alterra rapport 586 nxnodit can be specified in this box The length of the segments is calculated from the number of segments and the length of the water layer xdt Segments of VP_ditch Segments No of Segments Segment length m Figure 4 15 The edit segments box of the Water layers form To indicate that a water sediment study is simulated mark the checkbox Water sediment study Then instead of a trapezium shaped sediment system see Adriaanse 1996 a vertical sediment column is simulated When the checkbox is marked the value of the Depth defining perimeter changes to 1 and when the mark is removed the value is set to 0 4 8 3 The Sedime
125. e only transport process is diffusion in the vertical direction The water layer has to consist of 1 segment which should be specified button Segments The water depth of the water layer in the example water sediment system was 0 06 m The side slope has been set to its minimum value because a test vessel has vertical walls The option water sediment study should be selected Then automatically the depth defining perimeter gets the value 1 which indicates that the wetted sediment is situated in a vertical column below the water layer see Section 4 7 2 Suspended solids and macrophytes were not present in the water sediment study The minimum value of the concentration of suspended solids is 1 mg L However setting the mass ratio organic matter to zero means that sorption to suspended solids is not simulated 160 Alterra rapport 586 TOXSWA Water layers Browse Water layers Water layer Dimensions Length water layer m 1 00 Segments Water depth m Bottom width m Side slope hor ver Y Water sediment study Depth def perimeter m 0 060 1 00 0 00001 A Ditch Code Pond Stream Name C3riv_WS VP_ditch EX Copy ta mi m Macrophytes Dry weight ger 0 00 m Suspended solids Mass ratio organic matter Conc suspended solids mg L 1 00 Bi Com Help Close Figure 6 1 The water layers form for the example wa
126. elp SWASH version 1 1 User s guide version Alterra rapport 507 Alterra Wageningen The Netherlands Van Ommen H C M Th van Genuchten W H van der Molen R Dijksma and J Hulshof 1989 Experimental and theorethical analysis of solute transport from a diffuse source of pollution J Hydrol 105 225 251 Walker A K 1974 A simulation model for prediction of herbicide persistence J Environ Qual 3 396 401 Westein E M J W Jansen P I Adriaanse and W H J Beltman 1998 Sensitivity analysis of the TOXSWA mode DLO Winand Staring Centre Report 154 Wageningen Alterra rapport 586 173 Wosten J H M G J Veerman W J M de Groot J Stolte 2001 vernieuwde uitgave Waterretentie en doorlatendheidskarakteristieken van boven en ondergronden in Nederland de Staringreeks Alterra Rapport 153 Wageningen Wosten J H M 1997a Pedotransfer functions to evaluate soil quality In E G Gregorch and M R Carter Soil quality for crop production and ecosystem health Developments in Soil Science 25 Elsevier Amsterdam Wosten J H M 1997b Bodemkundige vertaalfuncties bij SC DLO State of the art SC DLO Rapport 563 Wageningen 174 Alterra rapport 586 Appendix 1 Theory on effect of temperature on transformation and volatilization Adriaanse 1996 reported the theoretical background of TOXSWA appended in 1999 by Beltman and Adriaanse 1999a with the effect of temperature on transformation in volatilizatio
127. ence calculation scheme that is used by FOCUS_TOXSWA see Section 7 2 2 in Adriaanse 1996 and the equation of Fischer Fischer ef al 1979 for calculation of the dispersion coefficient implemented in FOCUS_TOXSWA The influence of the sorption processes and of the flow velocity has been ignored because their impact on the segment length is relatively small 2 Ar lt 5 5 E 6 1 h with w width of the water surface m h water depth m To be able to estimate the segment length the maximal width of the water surface and the maximal water depth in the watercourse during the run need to be known To obtain the maximal width of the water layer and maximal water depth it is possible to first calibrate the hydrology with large segments of e g 10 or 20 m long which can be sufficient to simulate the hydrology of the water body Next the maximal depth during the simulation can be looked up in the hyb file see Section 3 3 5 From the maximal depth and the dimensions of the water body the maximal width of the water surface can be calculated We advise to select an integer value for the segment length close to the calculated value of which a multiple equals the Alterra rapport 586 149 length of the water body Because of the assumptions made for deriving Eq 5 1 larger segments may be possible as well in the order of 1 to 5 m larger depending on flow dynamics However if during the run the message The length of the segments i
128. ent studies The water sediment study itself can be simulated with TOXSWA The degradation rates can be fitted to the measured concentration profiles in water and in sediment using optimization tools In this chapter the simulation of a water sediment study is explained with an example The optimization of degradation rates is not described An example of an optimization can be found in Annex 12 of FOCUS 2005 which is based on the water sediment study used also in this chapter To simulate a water sediment study with the TOXSWA GUI the following steps have to be made creation of a project creation of a run definition of the scenario definition of the substance definition of the application scheme specification of run settings moan The TOXSWA GUI handles simulation runs via projects A project contains one or more runs A run is composed of a scenario a substance and an application scheme These run components can be build bottom up from small components e g Sorption for the substance component How the run is composed with the GUI from the lowest hierarchic level up to a complete run is illustrated by the scheme in Figure 4 2 in Section 4 1 To simulate a water sediment study an entirely new project needs to be created in the GUI step a see alos Section 4 5 In the opened project at the main form the run can be created with the button step b On the tab Run Components the user can select different compo
129. entire sediment layer is subdivided into sediment sub layers level 6 The sediment sub layers are defined by a specific sediment building block level 7 The meteo station contains the meteo data level 6 The hydrology data are subdivided in data defining Alterra rapport 586 91 the individual water body characteristics like bottom slope distance to weir level 5 For watercourses data for the representative channel are given at level 6 The substance entry at level 4 gives the name of the substance which can be a parent or a metabolite The properties of the substance are entered in the substance sections at level 5 i e the general physico chemical properties the sorption parameters and the transformation rates in water and in sediment At level 4 the application scheme is pesticide and scenario dependent and is unique for each run At level 5 the application rate and spray drift deposition are entered in the spray drift events section 4 2 Getting Started After installing SWASH the TOXSWA software package can be installed When FOCUS TOXSWA has been installed the TOXSWA Graphical User Interface can be started directly via the start menu or via a shortcut on the desktop if you copied the shortcut of the TOXSWA GUI to your desktop during installation of FOCUS_TOXSWA The TOXSWA GUI can also be started indirectly via the TOXSWA button in SWASH Please note that it is not possible to have both software shells SWASH and TOXSWA r
130. entration Date Global max Gosse 23 Dec 1986 cis Us PASO 56 387 PECsw 46 897 24 Dec 1986 PECsw2 42 780 25 Dec 1986 PECsw4 30 416 27 Dec 1986 PECsw7 22 041 30 Dec 1986 PECsw14 16 101 06 Jan 1987 PECsw21 UY 20 LS dam 196 PECsw28 27 457 20dan 907 PECsw42 5 708 03 Feb 1987 PECsw50 ono MAS 11 Feb 1987 PECsw100 6 659 OA AnS Maximum Time Weighted Averaged Exposure Concentrations in water layer in pg L 1 Date 18 Dec 1986 20 00 TWAECswl Concentration 54 071 Alterra rapport 586 TWAECsw2 49 798 19 Dec 1986 17 00 353 TWAECsw4 43 063 26 Dec 1986 18 00 360 TWAECsw7 SOMS AS 24 Dec 1986 17 00 399 TWAECsw14 34 446 SDE S 1500 305 TWAECsw21 28 697 07 Jan 1987 14 00 SIA TWAECsw28 De PUA 14 Jan 1987 15 00 STO TWAECsw42 Z 28 Jan 1987 14 00 393 TWAECsw50 23 OLS 05 Feb 1987 14 00 401 TWAECsw100 20 LOS DME 15200 451 Tables Maximum exposure concentrations in sediment n the top 5 00 cm sediment located under the water body segment from 90 00 to 100 OO 0 expressed as pg substance per kg dry sediment Actual concentrations in sediment in pg kg 1 DW Concentration Date Daynr Global max 45 826 3L Mat 1987 02500 455 PECsedl 45 801 01 Apr 1987 02 00 456 PECsed2 45 716 02 Apr 1987 02 00 457 PECsed4 MONO 04 Apr 1987 02 00 459 PECsed7 45 581 O7 Apr L987 02200 462 PECsed14 44 210 14 Apr 1987 02 00 469 PECsed21 3951153 Ds LIST 02200 476 PECsed28 34 302 28 Apr 1987 02 00 483 simulated period too short for calculation of PECsed42
131. er 6 TOXSWA input file for TOXSWA model version made by TOXSWA GUI version File name Water body type Application method Application rate of first application Number of applications Remarks Wert vR CS a O E ON RS E NES E E EN Section 1 Run characteristics Ro E O ARON RRM AAE a bad SP DME od RON ad ONE dal ONS DEN EE prname Water sediment locname C3 river_Water sediment s runcom Not a FOCUS Step 3 run op_hyd 0 option met Water sediment met rodr empty stdate 01 Jan 2000 Dee hawker endate 15 May 2000 U Gimatie 8 chastdatemet Jan 2000 chaendatemet Dec 2000 deltwb 600 anes deltouth 1 Lovins cit nwbsy 1 U Sanit ss iwbsy 1 ktop 23 oun ues ntcurve 1 Panes tcurvedate 01 Jan 2000 04 unit op_hyb 1 000000007 hyb op_mfl 1 000000007 mf1 op_rcl 0 OOOO OO OO zee op_rc2 0 000000007 rc2 op_cwa 1 000000007 cwa OPB MR 000000007 cs1 op_mwa 1 000000007 mwa op_mwl 0 000000007 mwl Alterra rapport 586 TOXSWA 2 1 2 F2 TOXSWA GUI 2 5 C SwashProjects Water sediment toxswa 000000007 txw Contents Warie Om WOW 2 Lo 2 satinmonllereaoin Creation WSA ESO Characteristics of run Run id 000000007 Substance Water sediment WS Crop C3 river_ WS 0 0000 kg ha 0 Name of project Name of location max 35 pos Comments for run max 35 pos Hydrology simulation control max 25 pos Wine g water balance echo
132. es calculated bulk densities are possibly not realistic 1 Eq 5 3 differs from the equation given in the Help file of the TOXSWA GUI Additional soil data have been used to derive Eq 5 3 For medium particle sizes below 250 um the bulk density calculated with Eq 5 3 differs slightly from the bulk denisity calculated with the equation in the Help file 152 Alterra rapport 586 The porosity can be estimated from the dry bulk density p and the density of the solid phase of soil p To do so the density of the solid phase of soil can be estimated using the relationship derived by W sten 1997a 1997b 100000 7 5 4 PEGG WC MEE 04 1 47 2 88 2 66 with p bulk density kg m Then the porosity can be calculated via e 1 Le 5 5 p with E porosity m m The pedotransfer functions have been derived for well settled non disturbed soils containing e g earthworm holes and so the bulk densities calculated in this way may underestimate the bulk density of the sediment This implies that the porosity may possibly be somewhat overestimated in this way tor tortuosity Tortuosity is the effect of traversing a tortuous pathway through sediment Boudrau 1996 fitted different empirical models to a large number of measurements of tortuosities in marine and freshwater fine grained unlithified i e uncemented sediments concluding that the best estimate of the tortuosity factor tor is given by 1 TR
133. es in the water and sediment layers are in the order of magnitude of metres and millimetres respectively 181 E18 Figure 2 2 Structure of the TOXSWA water body system one water layer subsystem and many sediment subsystems FOCUS TOXSWA handles transient hydrology and pesticide fluxes resulting from drainage and surface runoff including erosion as well as instantaneous entries via spray drift deposition Figure 2 3 In order to simulate the flow dynamics in an edge of field water body in a realistic way the field scale system is defined as the downstream part of a small catchment basin 18 Alterra rapport 586 volatilisation atmosphere use of pesticides Figure 2 3 Possible entry routes of pesticides into field ditches The water body system in FOCUS_TOXSWA has been described with the aid of a water balance that accounts for all incoming and outgoing water fluxes The incoming fluxes include the discharge from the upstream catchment basin base flow component plus runoff or drainage component the runoff or drainage fluxes from the neighbouring field and as appropriate the precipitation and upward seepage through the sediment The outgoing fluxes are composed of the outgoing discharge of the water body and if desired a downward seepage through the sediment The water fluxes in the modelled system vary in time as
134. ess of the top layer is specified A description of the columns is given in the header of the file under Key to columns in table 3 3 9 4 ms1 output file The ms1 file Figure 3 20 contains the mass balance of the selected top layer of the sediment under the selected segment of the water layer as a function of time In the header the selected sediment subsystem is specified A description of the columns is given in the header of the file under Key to columns in table 74 Alterra rapport 586 Alterra rapport 586 75 B E FO E a A AA A Se Book WE CE a OGEN GRA AS Er NR SE En EE GL E O EEHEEHE EEEE Ht Ht EEE HH H HHH FOCUS_TOXSWA v2 2 1 t Ht Ht HE t t HR ft HH TOXSWA v2 1 2 F2 t Ht t EEEE oft HEE FH HR HE 10 Nov 2005 Ht Ht Ht tt HE Ht PERE EEE HRE t EEEE t tt HERH Ht H HH HH Copyright Alterra Compiled with VisualFortran v6 6 0 IO 36 ak SU lj Si aimee ak ig SURE ce WAters Alterra Wageningen UR http www alterra wur nl PO Box 47 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID 00002d_pa File name 00002d_pa mwa Mass balance of the entire water layer as a function of time Key to columns in table o Dees Date and hour Dab Time d So pal Mass missing in balance of all terms g 4 bal Mass missing in balance of all terms expressed as percentage of initial loaded and i
135. esses Table 4 1 explains all options Alterra rapport 586 101 Table 4 1 Options on the Status Bar on the Main form of the TOXSWA GUI Option Sub option Action File Close Closes the GUI EditScenario Projects Return to the Projects form Scenarios Opens the Scenarios form Substance Opens the Substances form Application Schemes Opens the Application Schemes form Initial conditions for pesticides Opens the Initial conditions for pesticide View Input File Opens the input file txw Report File Makes and opens the report file excerpt of summary output file sum Summary output file Opens the summary output file sum Log file Opens the echo file ech Error file Opens the error file err Runs Select all runs All runs will be selected Yes in browse runs box Deselect all runs All runs will be deselected No in browse runs box Delete output of selected run Removes the output of a selected run in the browse box Graphs Graphs Opens the Choice of Graph form Help Content and index Help function About Shows details on development 4 7 2 Main buttons of the Main form The functions of the main buttons below the status bar and at the right hand side of the Main form are described in Table 4 2 Table 4 2 Main buttons of the Main form of the TOXSWA GUI Button Action Projects Return to the Projects form View Make input file Opens the TOXSWA input file txw Calculate Starts the calculat
136. f riperian land Water flux mm h 150 200 250 Day number since 01 Jan 1986 7 Help Options A Saveas EX Clipboard 24 Print Close Figure 4 40 Graph Water flux entering the water body magnified It is also possible to zoom in on a specific part of the chart To do so click with the cursor at the left side at the top left corner of that part and drag the cursor to the bottom right corner To undo the zooming drag the cursor from bottom right to top left Note that for the last action bottom right to top left the movement with the cursor should start in the graph area You can move the graph by pushing the right button of your mouse keeping it pressed and then move the mouse which will move your graph in the window The axes of the graphs can be customised Use the button Options in the screen with the zoomed graph Figure 4 40 The title of the axis the axis range and the tic steps along the axis can be altered Two sections are shown Figure 4 41 one for the X axis and another for the Y axis For both axes you can enter the start and end values of the axis the titles of the axis the major tic steps and the number of minor tics Note that the major tic step is a numerical value of a certain dimension e g 25 m and that the number of minor tics indicates the number of tics between two major tics hence without dimension The size and amount of markers as a percentage of the total number of marker poi
137. f the representative channel is the boundary condition for TOXSWA s watercourse i e the watercourse in which the water depth is assumed to be constant over the entire length of the watercourse and to vary with time only In TOXSWA s watercourse the fate of the pesticide is simulated Oa ee a ee aa aE x HEER EEEH E HEHE HH HH HH FOCUS TOXSWA v2 2 1 ig HHR HH HOH HH TOXSWA v2e1 2 F2 A tt HH t HERE Ft HHH HH FE FF 10 Nov 2005 E HHR HH HEO PERE HEEE HEE ig HH HH HA HAHAHA Hi HA Ht HA Copyright Alterra Compiled with VisualFortran v6 6 0 MS tn tn A A TA nn tn a e fame sy tn Nn ice e a e nn Tt TTT EL Fn A tn nn A a i Poy E ia S EROS Sul sae ss a ial Uk ea es Wi Ae 8 T Ep I AI A te FFP PE A PD pe PE PD RR Rg ne ge a pe ee eS G Alterra Wageningen UR http www alterra wur nl PO Box 47 A E ME ES E A E E AE E E A a ee 66 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID e OOWZe ja File name e OONOZE oz Input Data for Representative Channel and Weir Channel Characteristics base flow m3 d Die Sah ives catchment area ha E 2 00 channel length m E 1000 bottom slope S ORO EOS bottom width m 1 00 side slope hor vert 0 10E 04 kManning at 1 m water depth m1 3 s 250 energy coeff alpha 8 1 20 Weir Characteristics height crest body m 0 40 width crest m 0
138. f the water body buffers excluded xf m length of front buffer xe m length of end buffer nxnodit number of segments in water body nxnofb number of segments in front buffer nxnoeb s number of segments in end buffer lesefb m lengths of each segment in front buffer lesedit m lengths of each segment in water body leseeb m lengths of each segment in end buffer wibot m bottom width of water body sisl E side slope horizontal vertical wdhfl m water depth defining perimeter for exchange between water layer sediment hw coss g m concentration of suspended solids ss raomss mass ratio of organic matter Mom ss in suspended solids dwmp g m dry weight of macrophyte biomass per m bottom DW castwl g m initial total mass concentration of pesticide in water layer c for segments in x direction buffers included Air coait g m constant background concentration of pesticide in air Sediment zwb m depth sediment end buffer excluded zebb m depth end buffer sediment 0 if none nznowb number of segments in sediment end buffer excluded nznoebb number of segments in end buffer 0 if none lesewb m thickness of each segment in sediment leseebb m thickness of each segment in end buffer 0 if none bdwb kg m bulk density dry sediment material op as a function of depth end buffer excluded por porosity volume fraction void water e as a function of depth end buffer excluded tor tortuosity A as a functio
139. ff or drainage water entering crestbodypo m height of weir body up to crest in the pond 0 2 5 0 wicrestpo m crest width of weir located at the outflow of the pond 0 1 5 0 lerc m length of representative channel 10 2000 botslrc bottom slope of representative channel O 0 01 wibotrc m bottom width of representative channel 0 5 10 0 sislrc side slope hor vert of representative channel 105 10 Qbaserc m3 d base flow i e minimal inflow into representative channel 0 001 1000 occurring even when there is no drainage or runoff water entering arrc ha size of the area located upstream of the representative channel 1 10000 from which drainage or runoff water flows into the representative channel average over channel length crestbodyrc m height of the weir crest above the channel bottom of the 0 1 15 0 representative channel wicresttc m crest width of weir located at the outflow of the representative 0 1 10 0 channel kManlm m 1 3 s value of the Manning coefficient for bottom roughness at 1 m 1 0 100 water depth alphaen energy coefficient resulting from the non uniform distribution of i a a E flow velocities over a channel cross section Qbasewc m3 d base flow i e minimal inflow into watercourse occurring even 0 001 10000 when there is no drainage or runoff water entering Alterra rapport 586 179 arupwc ha size of
140. fferent balance terms than the hyb file for watercourses The Froude number indicating whether flow is 58 Alterra rapport 586 subcritical or supercritical and the flow velocity are both not given in the hyb file for a pond The hydraulic residence given in the hyb file is calculated by dividing the volume of the water body by the water flux out of the water body at the selected time Alterra rapport 586 59 Me OEE ET ME Mere oe REE ee MERE E E PIE AO O o TERME E AI E E ar ES TAO A O EL UL Fr A a E a 60 HEEE EEEH Ht Ht EEEE HH tt HHH FOCUS_TOXSWA v2 2 1 HH Ht tt Ht Ht HH HH Ht tt FH TOXSWA v2 1 2 F2 HH Ht tt HHH Hi Ft tee FE FH HH 10 Nov 2005 HF Ht tt Ht tt ttt PERE HAER HH Hd HH He HER HH HH HH Copyright Alterra Compiled with VisualFortran v6 6 0 TOEG S iol Jey Be ic Ek in CASAS al ig SUI Cac wAters Alterra Wageningen UR http www alterra wur nl PO Box 47 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID 00002d_pa File name 00002d_pa hyb Input data for watercourse and catchment Catchment characteristics baseflow discharge m3 d OVS ALEROL catchment area upstream of field ha 250 contributing margin of treated plot m 100 00 Watercourse characteristics bottom width m 1 00 side slope hor vert 0 10E 04 watercourse length m 100 Output data for watercourse water bala
141. for water and for sediment from water sediment studies should be determined with a model that takes into account all relevant processes like diffusion into and out of sediment volatilization and transformation in water and sediment layers e g TOXSWA FOCUS 2001 recommends using the overall DT50 of the entire water sediment system for both the water layer and the sediment when it is not possible to derive the DT50 values for individual phases water and sediment To optimize DT50 values from water sediment studies the FOCUS Degradation Kinetics workgroup 2005 recommends using kinetic models at different levels of complexity and TOXSWA for verification and for complex datasets In Chapter 6 it is explained how a water sediment study can be simulated with TOXSWA aetf molar Arrhenius activation energy for transformation rate The FOCUS Soil Modelling Workgroup 1997 found an average value of the molar Arrhenius activation energy of 54 kJ mol S D 22 kJ mol from 114 measurements covering a range of pesticides and soils The value 54 kJ mol can be used as default value for water and for sediment Note that all values of the molar activation energy were determined for soils In surface waters additional processes as photolysis may occur and in sediments anaerobic conditions affect microbial transformation kdfw diffusion coefficient pesticide in water Alterra rapport 586 157 The diffusion coefficient in water D kdfw may be esti
142. g and outgoing water fluxes of the watercourse Within a time step a constant water depth is assumed for the whole watercourse In the representative channel calculation this constant water depth is determined as a function of time The representative channel represents the average conditions in the catchment considered It is defined by a length erc a bottom slope bots rc a bottom width wibotrc and a side slope sis rc Its inflow is composed of a small constant base flow Obaserc and either the runoff or the drainage fluxes from the upstream catchment with area arre As both runoff and macropore flow to drains ate event driven processes discharges and water levels may be very dynamic A minimum water depth occurring during low base flows needs to be maintained with the aid of a weit in the representative channel The weir is defined by the height of its crest crestbodyrc and the width of its crest wicrestre The flow conditions are calculated with the aid of the Ch zy Manning equation for a backwater curve in front of a weir or for uniform flow conditions if the influence of the weir is no longer noticeable because it is located far downstream For these calculations the Manning coefficient describing the bottom roughness kMan1m and an energy coefficient a phaen are also needed The calculated water depth at the upstream end of the representative channel is a function of time This h t is assumed the water depth for TOXSWA s
143. g in backwater curves in front of a small weir The water depth at the upstream end of the representative channel as a function of time is used in the water balance and mass balance calculations to simulate the pesticide behaviour in the watercourse of TOXSWA By requesting Additional output 108 Alterra rapport 586 hydrology backwater curves at specified times are reported in the rc2 output file of TOXSWA They give insight in the type of water flow simulated in the representative channel Note that this option is only operational if the box for the output file Representative channel additional data is ticked on the TOXSWA Output files form Different output files can be created during the simulation By clicking the button Output files it is possible to select i all output files 11 all output files needed for viewing graphical output with the GUI iit the minimum set of output files or iv the user may specify the output files Figure 4 11 By default minimal output is obtained To analyse several aspects of the run select All output files needed to for viewing graphical output with the GUP to view the pre defined graphs TOXSWA Output Files TOXSWA output files CAN C All needed for viewing graphical output with UI C Minimal output summary echo and error file User defined Hydrology Mass balances Wv Detailed water balance Wv Water layer Selected segment water layer Representative channel V Basic
144. graph identical to the scale of the x axis of the upper graph 140 Alterra rapport 586 Concentration of pesticide in water and sediment f t Show markers Options Run C SwashProjects project_H_sw toxswa 00002d_pa cwa at distance 95 60 Dissolved Ads to susp solids Ads to macroph Total Concentration pg L gt No wo E mn o o o o o o o 150 200 250 300 Day number since 01 Jan 1986 Show markers Options Run C SwashProjects project_H_sw Toxswa 00003s_pa cwa at distance 97 5 60 Dissolved Ads to susp solids Ads to macroph Total wn o Concentration ug L N Q o o o o 150 200 250 300 350 400 450 Day number since 01 Jan 1986 I Scale Axis B Save as Clipboard Print Close Figure 4 43 Example of the window containing graphs for comparing two runs 4 12 4 Comparing a simulation with experimental data The compare button in Figures 4 34 and 4 35 can also be used to compare a simulation with experimental data Only simulated concentrations in water and sediment as function of time or as function of distance can be compared with experimental data The tab Measured Concentrations Figure 4 45 at the Select run to compare with window must be used to select the two files with experimental data one for the concentration in water and one for the concentration in sediment Graphs of simulated concentrations as
145. h for hourly or daily input data 0 hourly 1 daily wend stxlddr m start of stretch of watercourse into which drainage enters 0 10000 enxlddr m end of stretch of watercourse into which drainage enters 0 10000 op1_ldro output from which runoff model 1 PEARL 2 PRZM Lise op_Idrohd switch for hourly or daily input data 0 hourly 1 daily 0 1 stxldro m start of stretch of watercourse into which runoff and eroded soil 0 10000 enter enxldro m end of stretch of watercourse into which runoff and eroded soil 0 10000 enter raindr ratio of infiltrated water draining directly into water body dummy O 1 if no runoff nsewbldro number of upper segments in sediment into which the pesticide 1 50 mass sorbed onto the eroded soil will be evenly distributed dummy if no runofff erosion op_ldupbound switch for inflow across the upstream end of the watercourse Onl O no 1 yes dummy for pond rasuupbound ratio of upstream area where substance is applied and the total Ord upstream area if op_ldmupbound 0 this is a dummy Section 5 Substance properties suname substance name max 20 positions mamol g mol molecular mass M 10 10000 psat Pa saturated vapour pressure Psat 0 0 25 10 tepsat K temperature at which saturated vapour pressure was measured 273 15 313 15 mepsat J mol molar enthalpy of vaporisation 1 106 1 106 cosol g m solubility in water 1 106 2 106 tesol K temperature at which solubili
146. he approximations consist of formation of metabolites happens during a certain period of time while the maximum percentage has been added all at once to the water layer for FOCUS streams only formation of metabolites in upstream catchment has not been taken into account B Metabolite is mainly formed in sediment phase Enter the maximum percentage of formed metabolite expressed as g m sediment for the upper sediment layer i e 5 cm for FOCUS runs as an initial concentration Change the m2t or p2t loadings file of the parent into a file delivering water fluxes only by setting all pesticide fluxes in these files to 0 Couple this file to TOXSWA Section 4 6 5 Next run TOXSWA for the metabolite You now obtain an approximate metabolite exposure concentration in the sediment based on a correct hydrology The approximations consist of formation of metabolites happens during a certain period while the maximum percentage has been added all at once to the sediment at the beginning of the simulation 3 The same metabolite is formed in the soil metabolite study as well as in the water sediment studies Combine the approaches described under 1 and 2 96 Alterra rapport 586 4 5 General properties of the TOXSWA GUI All screens of the TOXSWA GUI have a similar set up which will be explained n this section The Substances form is taken as an example The form consists of two parts 1 a browse box shown in
147. he sediment layers 148 Alterra rapport 586 xdit the length of the water body The length of the water body xdif is in general equal to the length of the adjacent field because the pesticide inputs at the field on a certain crop need to be simulated For water sediment systems the used length may be as small as 0 05 m ie the minimal value nxnodit number of segments in water body Ponds and water sediment systems are defined by one segment in the water body For watercourses in general the segments are distributed uniformly over the total length of the water body Hence the number of segments nxnodit is the length of the water body xdi divided by the segment length esedi See the item esedit below for guidance on the segment length with its restrictions When the segments are not distributed uniformly nxnodit is the number of segment lengths defined within the length of the watercourse lesedit lesedit length of segments in water body Ponds and water sediment systems are defined by only one segment in the water layer so the segment length is equal to the length of the water body For watercourses the segment length that can be used is restricted by the numerical solution of the model te the mass conservation equations need to result in a positive and convergent solution The maximum allowable segment length Ax can be estimated via Eq 5 1 This estimation method is derived based on the explicit central differ
148. he water body SWASH prepares this value automatically when you clicked the button Export FOCUS input to MACRO PRZM and TOXSWA 14 Click on the TOXSWA button on the upper bar of the SWASH screen to start the TOXSWA shell and the SWASH shell closes 15 You will now enter the TOXSWA Projects screen from where you can proceed 441 Running TOXSWA In the TOXSWA GUI the project can be opened by selecting the project and pressing the OK button or by double clicking on the project A new screen with all the runs in the project appears By default all runs in the project have been selected for execution 1 You can switch runs on and off by double clicking in the column Selected Alterra rapport 586 93 2 If you wish to view graphical output you can select the checkbox All files for graphical output selected Default the minimal output is selected so only the TOXSWA summary file sum the file that echoes the input ech and the error file err are written By clicking on the Report button at the right hand upper side on the TOXSWA project form the Graphical User Interface displays a report of the run which is an excerpt from the summary output file You may want to check that the m2t or p2t files are ready at the correct directories to do so select a run and press the button View Make input file on the status bar You can now read the path and name of the m2t or p2t input file behind the var
149. her with its Graphical User Interface GUI and database is the FOCUS_TOXSWA tool TOXSWA simulates the behaviour of pesticides in a water body at the edge of field scale Le a ditch pond or stream adjacent to a single field It calculates pesticide concentrations in both the water and sediment layers FOCUS_TOXSWA simulates a transient hydrology and it simulates pesticide fluxes resulting from drainage surface runoff and erosion as well as instantaneous entries via spray drift deposition In order to simulate the flow dynamics in an edge of field water body in a realistic way the field scale system is defined as the downstream part of a small catchment basin The present FOCUS_TOXSWA tool is intimately linked with the FOCUS_SWASH tool van den Berg ef al 2005 SWASH is developed to prepare all run inputs needed by the different FOCUS surface water tools to run a FOCUS surface water scenario as defined by the FOCUS surface water scenarios working group It sets up the so called standard Step 3 exposure calculations in which the FOCUS Drift Calculator the FOCUS MACRO tool for drainage entries and the FOCUS_PRZM_SW tool for runoff erosion entries have been coupled to the FOCUS_TOXSWA tool for fate in surface waters This document has been written for FOCUS_TOXSWA version 2 2 1 which consists of the following parts TOXSWA model FOCUS version 2 2 1 2 F2 Nov 2005 TOXSWA shell FOCUS version 2 2 5 Nov 2005 SWASH TOXSWA database FOCUS
150. hly mass balance of substance in the top 0 050 m of the sediment Key to columns in table Name Year Mass Mass Mass Mass Mass Mass Mass Mass Name of the month initially present in sediment layer g entered adsorbed to eroded soil g month 1 penetrated from water layer g month 1 entered from sediment below g month 1 transported into the water layer g month 1 percolated to sediment below g month 1 transformed g month 1 remaining in sediment layer g coce GE talolle N 349E 03 o OA LINZ 202 AI OZ 214E 02 od a 02 380H 01 Toop ETON SOL 423E 01 294E 01 TASETON oO May 1986 0 Jun 1986 0 Tal 1986 O Aug 1986 0 Sep 1986 0 Oct 1986 Y Nov 1986 0 Deer Ue O damast oC Feb 1987 0 Mar 1987 0 Apr Toen O IO 2 year Sa ayee 4 cuiner So Ciil Sc Cus 7 cuouwl 8 cuper os curt 10 totmwb 11 wie i 2 3 4 5 6 7 8 mo year daer cuiner cuinwl cuus cuouwl cuper Jan 1986 0 000E 00 0 000E 00 0 384E 01 0 000E 00 0 000E 00 267E 06 Feb 1986 0 000E 00 0 000E 00 0 339E 01 0 000E 00 0 262E 03 751E 04 ers TES 0000 00 Om OO OES 00 0 3 112 035 0 0003 00 0 IS 02 7171 05 Apr 1986 0 000E 00 0 000E 00 0 728E 02 0 000E 00 0 182E 01 161E 02 May 1986 0 000E 00 0 000E 00 0 000E 00 0 000E 00 0 852E 02 206E 02 Jun 1986 0 000E 00 0 000E 00 0 000E 00 0 000E 00 0 408E 02 174E 02 Jul 1986 0 000E 00 0 000E 00 0 000E 00 0 000E 00 0 258E 02 129E 02 Aug 1986 0 000E 00 0 000E 00 0 000E 00 0
151. hoal eed Zend 986 Oct 0 0 0429 0 0 0 30 0 30 2 12 Sol 18 0 986 Nov 10 0 0429 OS OS W300 2 TO Bist Aes 986 Dec 95 0 0510 Tes W530 OERS ZI 4 1689 Ors 9 4 987 Jan 94 0 3620 14st OS OG 89 2901 0 3 dod 987 Feb 55 Or ROMI LOS OOS 26 962 Oss 1151 987 Mar 41 0 2037 o ONS OK OPS Sil 265 Ol 7 So T 987 Apr 8 0 0429 064 OS 050 2 94 250 ASS Hydrology part of simulation completed succesfully Figure 3 11 Example of the output file of FOCUS_TOXSWA 3 3 5 3 hdr output file The hdr output file contains the results of the simulation of the hydrology part of TOXSWA This is an unformatted file therefore not shown because it is an intermediate in the simulation The hdr file is written when option op hyd 3 Thereafter via changing op_ yd into 2 the simulation can be done without rerunning the hydrology part of the simulation reducing the simulation time of the run 3 3 6 Representative channel output files Output files for the representative channel can only be generated for watercourses For ponds these files are not generated because the representative channel is not simulated then 3 3 6 1 rcl output file The rcl file contains the output data of the representative channel Figure 3 12 It contains time dependent characteristics of the representative channel including water depth and the boundary condition for the watercourse In the header the dimensions of the representative channel and the weir characteristics are given
152. iaanse 1999a Therefore in water bodies with water depths of 0 25 m we estimate 35 g m dry weight of macrophytes for spring 200 g m for summer and 100 g m for autumn to be realistic values in case of high macrophyte densities An estimation of a realistic low macrophyte mass can be derived from Roelofs and Bloemendaal 1988 They found that the mass frequently is less than 100 g dry weight m in oligotrophic surface waters with sediments with a low nutrient status Most of this macrophyte mass resides in the roots in the sediment Bloemendaal ef al 1988 found that mass of roots could be up to 50 80 of the total macrophyte mass Combining the above findings we estimate that 20 50 g dry weight m is a realistic value for low macrophytes density occurring e g in oligotrophic waters with sediments having a low nutrient status Taking the season into account 20 g dry weight m is an appropriate estimate for spring and autumn and 50 g dry weight m for summer Beltman and Adriaanse 1999a zwb depth sediment The total thickness of the sediment layer has to be large enough to keep the pesticide mass in the sediment during the simulated period i e diffusion into and out of the sediment layer is fully taken into account When the sediment layer is too thin the 150 Alterra rapport 586 pesticide may bounce against the lower boundary of the sediment layer because downward diffusion out of the sediment layer is not possib
153. iable named rodr at the 6 line under Section 1 Run characteristics Check with the aid of the Windows explorer if the correct m2t or p2t input file is available at the specified location Now press the Calculate button to run the model 1 All selected runs will be carried out 2 The TOXSWA GUI will write the input files and call the simulation kernel 3 You can follow the progress of the simulation in the DOS box on your screen At the TOXSWA project screen in the Browse Runs table under the header Results after completion of a run you will see the message Not available change to Available or to Error in case errors have been encountered during the run 1 If errors are encountered you will see that the Report and Graphs buttons have been disabled 2 The nature of the error can be learned from the error file Press View and then Error file in the status bar to display the error file on the screen 3 Errors can also be reviewed in the Run Status tab of the main form 4 4 2 Viewing the results Press the Report button to view the FOCUS report This report contains amongst others 1 An overview of the applications and pesticide entries via the two entry routes spray drift and drainage or runoff erosion 2 The Global Maximum Concentration in water and in sediment 3 TWAECs Time Weighted Average Exposure Concentrations in water and in sediment over pre defined periods
154. ibrate and verify the results of model simulations When the fate of a pesticide in an experiment is simulated with the aim of obtaining realistic concentrations accompanying experiments in the laboratory with water and sediment from the experimental site should be done to parameterize the model correctly 22 Alterra rapport 586 3 User s guide for the command line version of FOCUS_TOXSWA This chapter contains a description of the command line version of FOCUS TOXSWA The command line version is interesting for those who want to use FOCUS_TOXSWA without using the shell It is interesting for performing FOCUS Step 4 or other higher tier exposure calculations uncertainty and sensitivity analyses or inverse modelling exercises In all other cases we recommend the use of FOCUS TOXSWA Graphical User Interface Chapter 4 This interface has some distinct advantages such as automatic generation of input files data storage in a relational database easy access to scenarios and an integrated viewer Please realize that the command line version is only suitable for experienced users 3 1 Running the model After you have installed the model Appendix 3 a copy of the TOXSWA kernel toxswa_focus exe will be available in the TOXSWA directory of the SWASH directory Copies of input files are available in the SWASHprojects folder after running an example project in FOCUS_TOXSWA It is a good practice to copy all input files to a working directory
155. idth m pond length m side slope hor vert height crest body m width weir crest m Others switch hourly daily input es On EEMS water depth on crest m water depth in pond m Output data for pond O h an OPS EKO E ON 0 45 30 00 SOR 0 100E 04 1 0000 0 5000 0012 0012 water balance terms as a function of time Alterra rapport 586 Key to columns 10 tables sil Deicke Dee mol laos 5 E Time d e Uy Water depth in pond m 4 Qintot Total incoming water flow m3 d ooo Sea Outflow across weir m3 d Ge wl Flow velocity m d Gan He Hydraulic residence time d B Ges Water drained or run off contrib area S Oa Mirs Preciprecatiomn Ea On ato ni mee E i 2 3 4 Dat Hr tE h Qintot 01 Jan 1985 00 00 0 000 001 0 3189E 01 0 Odin VES OL 200 0 042 que U 10S1E 02 01 Jan 1985 02 00 0 083 0027 0 TA 027 V 01 Jan 1985 03 00 o LAS 002 0 1043E 02 0 01 Jan 1985 04 00 0 107 002 010597 02 0 01 Jan 1985 05 00 0 208 OO ZO PERO SE O2O 01 Jan 1985 06 00 0 250 002 00 10517702 Q 01 Jan 1985 07 00 0 292 G02 COU EO O HO Aon LRGD ALES L000 er TEE W 3091 906 22 00 484 917 1 001 Oe SOHO 0 VOA LINEA MALO 1 001 OSCI MEL 01 May 1986 00 00 485 000 OON POES BAD O Figure 3 10 Example of byb output file of a pond Alterra rapport 586 m d Seepage through watercbody s bottom m d 3189E 0 4478E 0 702940 6608E 01 7412E 01 8056E 01 8561E 01
156. idues in the water column Hence 98 AR of the parent is attributed to the water layer of system 1 and 100 3 AR of the substance is attributed to the 166 Alterra rapport 586 water layer of system 2 In order to get one number for the initial concentration for the simulation the average should be taken The average of the two systems is 99 2 AR corresponding to a concentration of 13 881 pg L The water layer consists of one segment Figure 6 1 so 13 881 ug L is allocated to this segment in the TOXSWA run The initial concentration in the sediment is zero because it is assumed that the substance is present in the water layer only at the start of the study 6 5 2 Lateral entries At the Lateral entries tab the option for simulation of drainage or runoff should be deselected on the Lateral Entries tab because a water sediment study is a closed system with no lateral entries Section 4 6 5 6 5 3 Simulation At the Simulation Control tab all default values can be used for the water sediment study except for the Start Stop date entries see also Section 4 6 6 A fictive start and stop date need be given Chosen dates and years are not important as long as the period is long enough to cover the measurement period and the time span in the meteorological file covers the start and stop dates chosen In the example the measurements period is 105 days long Start and stop date were chosen to be respectively 01 01 2000 and 15 0
157. ield shows the name of the run When the run has been prepared by SWASH FOCUS Step 3 the name is a combination of the crop scenario and water body names The Scenario name field gives access to the water body sediment meteo and hydrology components of the run The Water body field indicates the selected water body type For most FOCUS scenarios two water body types are defined When a new scenario is defined in the TOXSWA GUI only one water body type can be defined for this new scenario Details on the water body can be assessed via the Scenario name field For projects prepared with SWASH the Crop field shows a crop name because the FOCUS runs have been set up for a specific crop When these projects are copied in the TOXSWA GUI the crop name is also copied and shown For projects created in the TOXSWA GUI this field is empty because TOXSWA inputs are not crop dependent The box Crop is grey so a crop cannot be entered or changed This field has been added in the TOXSWA GUI to inform the user for which crop the pesticide entries via spray drift deposition and drainage or runoff erosion have been generated with SWASH FOCUS Step 3 run The Substance field gives access to the physico chemical properties of the substance i e general properties and sorption and transformation parameters The Application scheme field gives access to data on the lateral entry of water and substance fluxes into the
158. ient kdomssdit m3 kg slope sorption isotherm based at organic matter content Komss distribution coefficient coobkomss kg m concentration pesticide at which the Kom of the suspended solids has been observed Ce ss exfrss Freundlich exponent for sorption to suspended solids nss kdomwb1 m3 kg slope sorption isotherm based at organic matter content of sediment material Komwb distribution coefficient coobkomwb kg m concentration pesticide at which the Kom of the sediment material has been observed Cewb exfrwb 5 Freundlich exponent for sorption to sediment material nyt Transformation dt50wl d half life for transformation in water tedt50wl K temperature at which transformation in water was measured aetf J mol molar Arrhenius activation energy for transformation rate also used for sediment dt50wb d half life for transformation in sediment tedt50wb K temperature at which transformation in sediment was measured Diffusion kdfw mm d diffusion coefficient pesticide in water Dw General The name of the substance suname and its molecular weight wamol have to be entered V olatilisation The saturated vapour pressure psa the temperature at which it is measured epsa and the molar enthalpy of vaporisation mepsat needed to calculated the saturated vapour pressure at other temperatures have to be entered Likewise the solubility sol temperature at which the solubility is measured eso and molar enthalpy of
159. il They define the begin and end distance of the loaded section of the watercourse Point source releases of pesticide runoff fluxes or pesticide fluxes sorbed onto the eroded soil can be simulated by allowing the pesticide mass to enter one small water body segment raindr ratio of infiltrated water draining directly into water body dummy if no runoff This ratio indicates which fraction of water free of pesticides infiltrating below 1 m soil depth of the field enters the watercourse It can be estimated with the aid of the water balance of the field on a yearly basis so considering precipitation irrigation evapotranspiration runoff or drainage via tile drains and the flux to deeper groundwater This ratio is only used for runoff scenarios and accounts for more steady water inflow than the irregular runoff entries Values used in the FOCUS surface water runoff scenarios are 0 03 and 0 1 Appendix E FOCUS 2001 5 6 Substance properties The substance properties define general physico chemical properties and the behaviour of the substance with respect to the processes sorption and transformation mamol molecular mass Tomlin 2000 and Hornsby e al 1996 list molecular masses for most pesticides psat saturated vapour pressure tepsat temperature at which saturated vapour pressure was measured Alterra rapport 586 155 The Henry coefficient is calculated in TOXSWA using the saturated vapour pressure Psa Tomlin 2000
160. in the TOXSWA_GUI program for non FOCUS runs with TOXSWA Literature Berg F van den P I Adriaanse J A te Roller 2005 FOCUS Surface WAter Scenario Help SWASH version 1 1 User s Guide version 1 Alterra rapport 507 ISSN 1566 7197 Wageningen the Netherlands Beltman W H J M M S ter Horst P I Adriaanse 2005 Manual of FOCUS_TOXSWA version 2 2 1 Alterra Report 586 Alterra Wageningen the Netherlands in prep Known issues The installation on Windows 98 and Windows NT machines is slow the installation procedure will seem to halt at the configuring Windows installer stage Please be patient for this stage takes some tim On Windows 2000 machines the calculation command window in MS DOS shown during the TOXSWA simulation can be halted by clicking on it with the left mouse button The calculation can be resumed by making theM S DOS window active by clicking on the title bar With other versions of Windows this problem does not occur Known bugs TOXSWA may crash or give unexpectedly high concentrations if MACRO has been installed under a default national setting which has the comma as decimal symbol i e Dutch Belgian MACRO then produces m2t files with decimal commas which are not read correctly by TOXSWA TOXSWA always uses the dot as decimal symbol and the comma as digit grouping symbol For example TOXSWA reads 1 000 as 1000 while 1 0 is meant The solution is to change the national
161. iner Mass entered adsorbed to eroded soil g Te Canal Mass penetrated from water layer g Sa CALS Mass entered via upward seepage g 9 cuouwl Mass transported into the water layer g 10 cuper Mass percolated below sediment layer g Wits Chex Mass transformed g 12 totmwb Mass remaining in sediment layer g Negative values indicate fluxes leaving the system 80 Alterra rapport 586 MERA Mer 3 01 Jan 1986 00 00 0 000 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 01 00 0 042 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 02 00 0 083 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 03 00 0 125 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 04 00 0 167 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 05 00 0 208 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 06 00 0 250 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 07 00 0 292 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 0
162. ing Black Code Bulkdensity kar Mass ratio o m kg kg Q Focus se1 800 00 Vredepeel SB1 80 00 Vredepeel SB2 220 00 Vredepeel SB3 670 00 Vredepeel SB4 1500 00 C3river_wS 1536 00 seo Edit Building Block Building Block Cade FOCUS SB1 B Comments Basic parameters Dry bulk density ka r 800 00 Tortuosity 0 600 Porosity 0 600 Mass ratio of organic matter kg kg 0 090 Help Close Figure 4 17 The Sediment Building blocks form 4 8 4 The Meteo stations form The Meteo Stations form Figure 4 18 can be accessed by pressing the button behind the pick list of the option field Meteo station in the Scenarios forn The Browse Meteo Stations section at the upper half of the screen gives an overview of all available locations with meteorological data At present TOXSWA only needs data concerning the water body temperature For the FOCUS scenarios monthly values of the air temperature are used in the TOXSWA simulations The lower half of the screen presents details of the meteorological station Only the option field for the Code is obligatory all other fields are optional The longitude latitude and altitude of the location of the meteo station may be specified note that the scenario to be simulated may be located elsewhere this can be specified at the Scenarios form Section 4 7 1 The three buttons at the right hand of the form offer various possibilities with respect to
163. ion equations i e building up after many time steps in the relevant mass balance file Results with a poor mass balance indicate there might be something wrong X PTET EH Hd Ht Ht HEEF HA Ht EEEH FOCUS_TOXSWA v2 2 1 x Ht tt tt Ht tt Ht Ht Ht ot Ht TOXSWA v2 1 2 F2 E Hi Hi HH HEE EERE EE FEE HH OP HH 10 Nov 2005 ed Ht Ht Ht tt Ht HEER EEE PEHEE et Ht EEEH Ht Ht HE Ht Ht Ht tt Copyright Alterra Compiled with VisualFortran v6 6 0 of AE 36 al LO SUlSwrame sas al idl Saute Era CTG WAters Wi Sei ee ae ee ee a ee ee a a ae ee A ee e E a et a Alterra Wageningen UR http www alterra wur nl PO Box 47 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID 00002d_pa File name 00002d_pa err O RK SE DE Warning and error messages End of simulation The run time was 1 minutes and 53 seconds No warnings during run Figure 3 8 Example of err output file of FOCUS_TOXSWA 3 3 5 Hydrology output files 3 3 5 1 hyb output file This file contains the water balance of the water body calculated at selected time steps of output The header of the file gives information about the characteristics of the water body and the catchment only for a watercourse stream or ditch The description of the columns is given under Key to columns in table Figure 3 9 The hyb file for a pond Figure 3 10 contains slightly di
164. ions of all the runs selected in the browse box Help Help function Close Closes the TOXSWA GUI Report Makes and opens the report Graphs Opens the Choice of Graph box Copy Enables the user to copy a run selected in the project Only possible if the project is a FOCUS Step 4 project or non FOCUS project 102 Alterra rapport 586 By clicking on the Report button the GUI makes and displays a report of the run which is an excerpt of the summary output file This report file is not saved automatically The user can save the report in a file whilst the report is on display 4 7 3 Browse box of the Main form The column RunID in the Browse runs section shows the runID of the run Three types of runIDs are possible in TOXSWA 1 In FOCUS Step 3 projects the runIDs for the runs have already been assigned in SWASH Then the runID consists of a code of five numbers followed by a code consisting of one character indicating the type of water body s for stream d for ditch and p for pond which is followed by an underscore and a 2 character code indicating whether the run is performed with a parent substance pa or a metabolite m1 or m2 For example a run with a parent substance in a stream is named 00102s_pa 2 In FOCUS Step 4 projects copied from a FOCUS Step 3 project the runID consists of a code of five numbers followed by a code consisting of one character indicating the type of water body followed by a code consisting of
165. italic refer to the name of the variable in the TOXSWA input file Alterra rapport 586 107 Run Components Lateral Entries Simulation Control Dutput Control Run Status Output Segments Output time Segment Anahe position m Segment A Position m Time interval of output h 1 01 0 00 10 00 10 90 00 100 00 02 10 00 20 00 gt Exposure in sediment 03 20 00 30 00 Thi f 0 05000 04 30 00 40 00 ickness top layer m 05 40 00 50 00 06 50 00 60 00 de saoo Er lt _ Additional output hydrology 09 80 00 90 00 En j Output files Figure 4 10 Output Control tab of the Main form Segments for which output is wanted can be selected in the Output Segments section For all segments water concentrations are written to the output file cwa Sediment concentrations are only written to the output file cs for the sediment subsystems located under the selected water layer segment Depending on the number of selected segments is a number increasing from 1 to maximally 9 The Output Segments section shows two list boxes one for segments not selected for output and one for segments selected for output Segments can be moved from one list to the other by selecting them and clicking the appropriate button As a default always the last segment downstream is selected At this location the dissolved pesticide flow persists longer than at upstream located segments For the FOCUS scenarios it was agreed that all ex
166. itch op7_ ddr In version 2 2 1 of FOCUS_TOXSWA only use of MACRO output is implemented Next the switch for hourly or daily fluxes op_ ddrhd check in the drainage output file has to be set In addition the start distance stx ddr and end distance enxlddr of the stretch of the water body along which the drainage fluxes enter the water layer have to be given Runoff For runoff fluxes it has to be indicated whether either the model PEARL or PRZM switch op7_ dro was used to simulate the runoff In version 221 of FOCUS TOXSWA only use of PRZM output is implemented The switch for hourly or daily fluxes op_ drohd check in runoff output file has to be set In addition the start distance sfx dro and end distance enx dro of the stretch along which the runoff fluxes enter the water body need to be specified Next to runoff water flowing over the soil part of the infiltrating water enters the water body through the soil This part of the infiltration flux is calculated via multiplication of raindr with the infiltration flux given in the runoff output file of PRZM Pesticides do not enter the water layer via this indirect route Apart from pesticide entries in runoff water also pesticides adsorbed to eroded soil enter the water body This pesticide mass is added into the upper nsembldro segments of the sediment The eroded soil itself is not accounted for Upstream catchment For watercourses pesticide fluxes from the upstream area are simulated by
167. itches with 115 sediment cores per ditch taken in the course of the growing season Layer Organic carbon Dry bulk density Porosity cm C kg dm m m gt 0 1 15 0 1 0 9 1 2 11 0 2 0 8 2 4 3 0 7 0 7 4 10 1 1 6 0 4 When the bulk density and porosity are not available they can be derived from the particle size distribution W sten e al 2001 described continuous pedotransfer functions to derive dry bulk densities for soils as functions of the clay and silt fractions the organic matter content and sometimes the median sand particle size For loamy and clay soils the dry bulk density of the sediment can be estimated via the equation derived as functions of the clay fraction and the organic matter content 1000 Pis 5 5 2 0 6117 0 003601C 0 002172 0 0 01715 Ln O with Ps dry bulk density kg m C mass based clay content Y i e percentage lt 2 um O mass based organic matter content Y En natural logarithm For sandy soils the bulk density can be estimated based on the silt fraction the organic matter content and the median sand particle size Po 1000 7 58 0 017910 0 0326 0 00388 M 50 0 00003937 S 157 7M50 1 522 Ln M 50 5 3 with S mass based silt content i e percentage lt 50 um M50 median sand particle size um Eq 5 3 is based on soils with median sand particle size below 250 um Personal communication W sten 2006 For higher median particle siz
168. kness of the sediment layer wb and of the end buffer zebb as well as the corresponding number of segments for the sediment and its end buffer have to be entered The maximum number of segments nznowb nznoebb that the program can handle is 50 10 At the boundary between the water layer and the sediment z equals zero from there the z co ordinate increases with depth The sum of the segment thickness ksewb must be equal to the total thickness of the sediment zwb This applies for the end buffer as well The parameters described next are time independent data for the sediment For each of the nznowb segments the bulk density of the dry sediment material followed by the porosity the tortuosity and the mass ratio of organic matter to dry material should be 1 Coair can not be entered via the User Interface but has to be changed in the txw file with a text editor Alterra rapport 586 33 entered starting with the top segment Next the dispersion length ds for the sediment should be entered Finally the initial concentration for every segment in the sediment should be entered Note that this initial concentration represent the total concentration of pesticide present in the segment i e in the solid phase and in the liquid phase of the sediment 3 3 1 3 Section 3 Hydrology of water bodies Section 3 of the txw file contains all parameters concerning the hydrology of the water body Table 3 3 presents the parameters in the txw fi
169. layer segment and total mass in water layer segment and selected sediment layer 11 wbtot Ratio of mass in selected sediment layer and total mass in water layer segment and selected sediment layer SERN MEL EA MAENE MELA AL EET O IE NL NES O Alterra rapport 586 Beta Ce ey 6 484 484 484 485 EN EAT O 875 JL 958 000 O DOI O AS CIO AO 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 SO OS 1302E 03 LZS 1288E 03 O ODO O O O CIDO 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 SE OS 1302E 03 LISTOS ZE MEROS Figure 3 22 Example of db1 output file of FOCUS_TOXSWA 88 ISO O OS dl AE e ea 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 LOZA 07 1020E 07 1014E 07 1008E 07 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 po o A e er Fl ee FP o 0000E 00 0000E 00 0000E 00 0000E 00 ECU po ao eo RD AD ICD ps de e Fe 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 1457E 02 1456E 02 ALAS S04 1454E 02 Alterra rapport 586 po Ce Cpt AD ad e o EPA 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 0000E 00 IS SEUS 1829 03 1828 03 PESE OS po o RADE E CD O Ra oP 5 0000E 00 0000E 00 0000E 00 0000E 00
170. le In general in simulations taking into account realistic application schemes over the years a sediment layer of 5 cm is enough to simulate diffusion into and out of the sediment in a realistic way When downward seepage is simulated i e gseif gt 0 advection and dispersion dominate over diffusion and pesticide mass percolating through the sediment layer is most likely to occur then this requirement for a thick enough sediment layer may not be relevant When during the simulation substance mass leaves the lower boundary of the sediment TOXSWA gives a warning nznowb number of segments in sediment lesewb thickness of each segment in sediment The segments have to be distributed over the total thickness of the sediment zw The upper segments which are close to the water layer have to be relatively thin because diffusion of the substance into the sediment may cause very sharp concentration profiles To be able to simulate the very sharp concentration profiles correctly the upper segments need to be about 1 mm thick or even less The segment thickness may increase gradually with depth to about 2 to 5 cm For substances with a K lt 30 000 L kg this leads to a stable and converging numerical solution of the mass conservation equations so to correct exposure concentrations in water and sediment For substances with a K gt 30 000 L kg e g pyrethroids the numerical solution does not converge for 1 mm thicknesses of the upper
171. le in the sequence in which they appear with a short explanation of each parameter Depending on the option for constant or variable flow and whether a pond or a watercourse is selected the relevant parameters need to be specified Seepage A constant seepage infiltration flow gseif from the contributing plot into the water body negative values or out of the water body positive values can be entered For upward seepage negative values the concentration in the seeping water colo can be specified Simulation options With the switch op_vaf constant or variable flow can be selected TOXSWA then uses only the parameters concerning the selected option Other parameters are dummy values The switch op_hd has to be set to zero if the drainage or runoff file contains fluxes on an hourly basis and the switch has to set to 1 if the entry files contain fluxes on a daily basis The calculation of the hydrology is done independently of the mass balance and needs its own calculation time step de thy Constant flow The constant water depth in the water body wd and the constant flow velocity u in the pond or in the watercourse need to be entered if op_vafl 0 Switch pond watercourse With the switch 0p_powc a pond or a watercourse is selected The watercourse can be a ditch or a stream depending on its characteristics like bottom slope and size of water fluxes that enter the watercourse The pond has one segment in the water layer and c
172. lected Application scheme via clicking the Spray drift Edit View button In the table shown no events are listed 6 5 Specification of run settings From the main form the initial concentration and the simulation settings need to be set 6 5 1 Initial concentration in the water layer At the Run Components tab the initial concentration in the water layer needs to be specified This should be done whilst the water sediment scenario is selected on the tab because the segments of the water and sediment layers specified on the TOXSWA Initialisation Pesticides form should correspond to the segments of the water and sediment layers of your water sediment scenario So click the Confirm button before clicking the Initial conditions for pesticide button to ensure the selection of the correct segmentations The amount of substance added to the vessels is 42 g ai ha resulting in a concentration of 14 ug L in the vessels However this concentration does not correspond to the measurements at the start of the study At zero time 46 9 AR Applied Radioactivity and 51 1 AR were found in respectively the water layer and the sediment of system 1 and 52 9 AR and 47 4 AR were found in respectively the water layer and the sediment of system 2 FOCUS 2005 describes how to handle data for zero time parent residues found in the sediment on t 0 should be treated as if they were in the water column i e add them to the res
173. lly present in sediment layer ass entered with eroded mass ass penetrated from water layer g month 1 g month 1 g ass entered from sediment below g month 1 ass transported into the water layer ass percolated to sediment below g month 1 ass transformed g month 1 ass remaining in sediment layer g 0 000 g g month 1 Year Mo 1986 1986 1986 956 986 986 986 1986 nth Jan Feb Mar Apr May Jun Jul Aug Sep OCE Nov Dec Jan Feb Mar Apr cuiner 000 000 000 000 000 000 000 000 cuinwl 0 034 000 007 000 000 000 000 j E E o e CR EE A E e Cee PG LR 038 cuus 000 000 000 000 000 000 000 000 cuouwl 0 000 000 010 018 2009 004 003 002 cuper 0 0 ms O 0 5 O O SOF 000 000 cui 000 002 003 003 002 002 002 00 totmwb 0 038 070 Upa 042 Soe OZ 016 ol Tables Maximum exposure n segment from 90 00 to 100 00 m in water body Actual concentrations PECsw as well as PECsed refer to 2 etc days after momentary concentrations occurring 1 the global maximum concentration TWAEC Exposure Concentrations moving time frame and have been day of the period considered have allocated to the last Time Weighted Average been calculated for a Actual concentrations in water layer in pg L Conc
174. ltwb 600 hee deltouth 1 l wate Ja nwbsy 1 U Se iwbsy 10 BL ktop 12 U sha kon ee ntcurve 1 1 waer Ec rvedate 1 0l Jan loso 04 1 anits op_hyb 1 00002d_pa hyb water balance op_mfl 1 00002d_pa mfl echo of drainage or runoff entries ZO Alterra rapport 586 00002d pa 00002d pa 00002d pa 00002d pa 00002d pa 00002d pa 00002d pa 00002d pa 00002d pa 00002d pa 00002d pa TE TEZ cwa ce mwa mw msa ms dba db mob basic information on repr channel additional information on repr channel concentrations water layer concentrations sediment sub system mass balance water layer mass balance segment water layer mass balance all sediment sub systems mass balance sediment sub system distribution substance in total water body distribution substance segment nr wl monthly Definition of water layer OPB op_rc2 a op_cwa op_csl1 op_mwa l op_mw op_msa op_ms U op_dba op_db op_mob E Section 2 xdit 00 00 xfb 0 xeb 0 nxnodit 10 lesedit 10 00 10 00 0 00 0 00 0 00 0 00 10 00 10 00 10 00 10 00 wibot 00 Sasss 1 0E 0 wdhf1 0 01 coss o Ox raomss 0 09 dwmp 0 castwl 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 0 0000 CORE 0 zwb 0 1000 zebb 0 nznowb 14 lesewb 0 0010 0 0010 0 0010 0 0010 0 0020 0 0020 0 0020 0 0050 0 0050 0 0100 0 0100 0
175. m weir in upstream direction m Sa at Water depth m ARAR Flow velocity m d we Bye ME Froude number MS Re mye ay Tin Ey Re Ey an ny Ta ay 1A yi ey ta ey Ri ay Seg a LA ay any ye Eeg TA Eey Ea ye eg ey ae ey ey ay tee ES il 2 3 4 5 X Nr Dis h u ae We ne ee ee ee ee ee ee eee 1 0 000 0 40 DZS BA 0 000 2 75 000 0 394 9 4093 0 000 3 150 000 0 386 Pe SLO 0 000 4 225 000 aro Oc His 0 000 5 300 001 Os 37 DTS 0 000 6 31350041 0 364 0 1850 0 000 7 450 001 0 356 10 3994 0 000 8 529 001 0 349 0 6230 0 000 9 600 001 0 34 10 8564 0 000 10 6135002 0 334 LOZ 0 000 dd 750 002 0 326 Leens 0 000 12 825 002 0 319 1 6224 0 000 S 900 003 omon 1 9024 0 000 14 B79 008 0 304 12 LOL 0 000 OOG 0 30 12 5048 0 000 Figure 3 13 Example of 1c2 output file of FOCUS_TOXSW A 3 3 7 Concentration output files 3 3 7 1 cwa output file The cwa Figure 3 14 file gives the concentrations of the pesticide in the water body as a function of time for all segments of the water layer A description of the columns is given in the header of the file under Key to columns in table 68 Alterra rapport 586 He e e ETE E OE OX NT Sao Krk ee foe E E E E A A E E RO E EE Ce CE E FOCUS_TOXSWA v2 2 1 TOXSWA W241 AZ 10 Nov 2005 FEEFEE HEEF dit HR HH Ht HH Ht HH Hd Compiled with Visual WO 96 ab E SS ul 8 Alterra Wageningen PO Box 47 6700 AA Wageningen The Netherlands Ht EEEE t HEE t tt
176. manual belonging to release 1 1 001 2003 02 05 IMAG Draft report Wageningen The Netherlands Hornsby G H R D Wauchope and A E Herner 1996 Pesticide properties in the Environment Springer Verlag New York Jury W A W F Spencer and W J Farmer 1983 Behaviour assessment model for trace organics in soil I Model description J Environ Qual 12 558 564 Leistra M 1978 Computed redistribution of pesticides in the root zone of an arable crop Plant Soil 49 569 580 Leistra M A M A van der Linden J J T I Boesten A Tiktak and F van den Berg 2001 PEARL model for pesticide behaviour and emissions in soil plant systems Descriptions of the processes in FOCUS PEARL v 1 1 1 Alterra Report 013 Wageningen Linders J B H J J W Jansma B J W G Mensink and K Otermann 1994 Pesticides Benefaction or Pandora s box A synopsis of the environmental aspects of 243 pesticides RIVM Report no 679101014 Bilthoven Lyman W J W F Reehl and D H Rosenblatt 1982 Handbook of chemical property estimation methods McGraw Hill New York Millington RJ and J P Quirk 1960 Transport in porous media In Transactions 7 Int Congr Soil Sci Soc Vol 1 97 106 F A van Baren et al Elsevier Amsterdam 172 Alterra rapport 586 Minist re des Relations Ext rieures Coop ration et D veloppement 1984 M mento de Pagronome R publique Francaise 1604 pp OECD 2001 Aerobic and anaerobic degradation in water
177. mated from the molecular structure of the pesticide using the Hayduk and Laudy method described by Lyman et al 1982 The value of D for molecules with a molecular mass of about 200 at 20 C in water is approximately 43 mm d Jury ef al 1983 Usually the output of TOXSWA is not sensitive to the diffusion coefficient so estimation for the specific substance is not crucial The value of the diffusion coefficient is temperature dependent mainly because the viscosity of water depends on the temperature When a calculation is done at a constant temperature that is not 20 C and the diffusion coefficient is a sensitive parameter for the simulated situation one may consider taking the effect of temperature into account for the diffusion coefficient entered The diffusion coefficient for a specific temperature can be calculated with the Einstein equation derived by Stokes Tucker and Nelken 1982 See Leistra ef al 2001 for details This equation can be approximated with D 1 0 02571 7 7 D 5 9 where D diffusion coefficient of the substance in water at temperature T m d T temperature K T reference temperature K Do diffusion coefficient of the substance in water at reference temperature m d 158 Alterra rapport 586 6 Simulating a water sediment study with FOCUS_TOXSWA 6 1 Introduction FOCUS surface water calculations are carried out with degradation rates determined from water sedim
178. me Figure 4 38 In the bottom graph the negative terms of the balance are shown The positive terms concern mass entering the water layer while the negative terms concern mass leaving the water layer e g into the sediment The line in the top graph indicates the total mass present in the water layer In the legends the check boxes enable the user to select the balance terms to be shown Alterra rapport 586 135 Mass balance of pesticide in water layer Positive terms uo Y E From Sediment 250 000 V Bb niia lv EN Upstream 200 000 M E Loadings 150 000 Y Remaining 100 000 50 000 0 0 50 100 150 200 250 300 350 400 450 Day number since 01 Jan 1985 Negative terms Y E To Sediment 200 000 iv EN Flowed out Iv EN Transformed 150 000 lv volatiized 100 000 50 000 0 50 100 150 200 250 300 350 400 450 Day number since 01 Jan 1985 Figure 4 38 Graph Mass balance of pesticide in the water layer as a function of time Mass balance of pesticide in sediment _ Positive terms 15 000 iv EN Upward seepage WEN initial 10 000 lv E Eroded Y UN From water layer Y Remaining 5 000 0 0 50 100 150 200 250 300 350 400 450 Day number since 01 Jan 1985 Negative terms 4 000 Y JN Downw seepage iv EN Transformed iv JN To water layer 0 50 100 150 200 250 300 350 400 450 Day number since 01 Jan 1985 7 Help Print Close Figure 4 39 Graph Mass balance of pestici
179. meteo file behind Weather station have to correspond with the code entered for the new meteo station in the GUI see Figure 4 19 Press the Import Datafile button confirm by pressing Yes to the question that popped up see Figure 4 20 Next locate the file with defined meteo data with the Windows Explorer open it and finally the TOXSWA GUI reads its content and puts it into the SWASH TOXSWA database 116 Alterra rapport 586 TOXSWA Meteo Stations Browse Meteo Stations Bologna A Brimstone Brimstone LaJailiere La Jailliere Lanna Code should be the same as the name of the weather station specified in the meteorology file behind Weather station v EX Copy Edit Meteo Station Code El View data Name Location of the test station Country Default x E en Import Datafile Longitude dec degrees East positive il Latitude dec degrees Altitude mn Help Close Figure 4 19 The meteo stations form for the example water sediment study Confirm Important Importing meteo data will erase any existing data for the Meteo Station Code that is indicated in the header of the imported file indicated behind Weather station Make sure the Meteo Station Code you will be importing has already been defined in the GUI on the TOXSWA Meteo stations form Also make sure the format of the file that will be imported equals the forma
180. mory size 256 MB Computation time can be reduced by reducing the number of output files to be written or reducing the number of output segments FOCUS ditch and pond scenarios require considerably less computation time When a model run is completed the value Not available is changed to Available or to Error in case errors ate encountered in the column Results in the Browse Runs box in the Main form In case errors have been encountered the Reports and Graphs buttons will be disabled 1 the nature of the error can be learned from the error file Press View and then error file in the status bar to display the error file on the screen 2 of errors can be reviewed in the Run Status tab of the Main form 4 12 Creating graphs After a model run has been completed the output can be analysed via the graphical function of the TOXSWA GUI TOXSWA prepares a number of pre defined graphs see Figure 4 30 They present the most important model outputs such as the concentration of pesticides in the water body water flux out of water body etc 128 Alterra rapport 586 TOXSWA Choice of Graph Type of graph C Water flux out of water body and water level in water body C Residence time of water in water body Concentration of pesticide in water and sediment f t C Concentration of pesticide in water f x and sediment f 2 Distribution of pesticide C Mass balance of pesticide in water layer
181. n Import Datafile Figure 4 20 6 2 4 Composition of the scenario When all components water layer sediment layer and meteo station have been defined a new scenario can be composed Create a new TOXSWA scenario on the TOXSWA Scenarios screen Figure 6 6 and select all the components for your 164 Alterra rapport 586 water sediment study No specific data is necessary for the hydrology for lateral entries because no lateral entries are simulated Any input chosen for this option will be considered as dummy values if the option for simulation of drainage or runoff is deselected on the Lateral Entries tab TOXSWA Scenarios Browse Scenario Code Water layer Name County focus_ditch DE Meteo station Thiva focus_pond R1 Meteo station Weiherbach focus_stream R1 Meteo station Weiherbach focus_stream R2 Meteo station Porto focus_stream R3 Meteo station Bologna focus_stream R4 Meteo station Roujan Vredep_ditch Vredepeel The Netherlands EX Copy o Edit Scenario Name C3 river_Water sediment study Longitude dec degrees East positive Code C3river WS Bi Com Latitude dec degrees Country Altitude mm Seepage Concentration Water layer C3 tiver WS y en B Seepage mm d Sediment layer C3 river_W S sediment y j Concentration mg L Meteo station Water sediment y Ed L M Hydrology for lateral entries only e Watercourse R1 _STREAM aj fa
182. n This addition on the effect of temperature is summarized in this appendix Process descriptions for the dependency of transformation on temperature are given by Boesten 1986 and for the dependency of parameters determining volatilization by Leistra ef al 2001 Their equations are incorporated in TOXSWA 1 2 and in FOCUS_TOXSWA 2 2 1 With the aid of the Arrhenius equation the transformation rate coefficient at a temperature T can be derived from the transformation rate coefficient at a reference temperature T Boesten 1986 Walker 1974 with K T k T expl q EZ AD ref where T temperature K Le reference temperature K k transformation rate coefficient d E molar Arrhenius activation energy J mol R universal gas constant 8 3144 J mol K The FOCUS Soil Modelling Workgroup 1997 found an average value of the molar Arrhenius activation energy of 54 kJ mol S D 22 kJ mol from over 114 measurements covering a range of pesticides and soils The dependency of the saturated vapour pressure on the temperature is derived from the Van t Hoff equation via AH 1 1 P T P T ex 2 A2 DATA E A2 Leistra ef al 2001 with P saturated vapour pressure of substance Pa AH enthalpy of vaporization J mol The enthalpy of vaporization depends on the substance Smit ef al 1997 estimated an average enthalpy of vaporization of 95 kJ mol from literature data on 16 Alterra r
183. n of TOXSWA TOXSWA Read_me file date 14 Nov 2005 his readme file contains information for TOXSWA model FOCUS version 2 2 1 2 F2 Nov 2005 TOXSWA shell FOCUS version 2 2 5 Nov 2005 SWASH TOXSWA database FOCUS version 1 2 2 Apr 2003 p Hel If you suffer from installation problems send an mail to arjan2 dejong wur nl Or if there are problems in the use of TOXSWA send an e mail to toxswa swash wur nl Installation The installation of TOXSWA is the last step of the complete installation of the FOCUS surface water software Installation of FOCUS _TOXSWA 2 2 1 does not affect the database and the SWASHprojects directory The database is part of the SWASH software So after installation of FOCUS _ TOXSWA 2 2 1 the user can continue with the database and projects used with FOCUS _TOXSWA 1 1 1 We can only guarantee a proper functioning of the entire FOCUS Surface Water package if you install all applications on the default directory The default directory for SWASH is C SWASH The default directory for TOXSWA is C SWASH TOXSWA You may also choose another drive for example D or F In case you select another drive than C the TOXSWA application should also be installed on that drive and as subdirectory of the SWASH directory For example if you installed SWASH on D SWASH the TOXSWA application should be installed at D SWASH TOXSWA Installation of TOXSWA 2 2 1
184. n of depth end buffer excluded raomwb mass ratio organic matter of dry sediment material mom w as a function of depth end buffer excluded Idis m dispersion length castwb g m initial mass concentration pesticide in sediment c for the total number of segments in z direction nznowb end buffer included Water layer The lengths of the water body xdi and its front xfb and end xeb buffers have to be entered as well as the corresponding number of segments nxnodit nxnofb nxnoeb The maximum total number of segments nxnodit nxnofb nxnoeb that the program can handle is 25 500 25 For FOCUS scenarios the length of the buffers have been fixed at zero because reversed flow does not occur the buffers prevent numerical problems when the direction of the water flow may become reversed during simulation Because both buffer lengths are zero their numbers of segments and segment lengths are not needed in the txw file The cumulative lengths of sedit have to be equal to the total length xd This also applies for the buffers 32 Alterra rapport 586 The geometry of the water body is defined by the width of the bottom wibot and the side slope sis The side slope is the slope of the walls of the water body defined as the horizontal distance divided by the vertical distance Figure 6 in Adriaanse 1996 The water depth defining perimeter wdhfl defines which parts of the slope of the water body have to be taken into acco
185. n table T2 Alterra rapport 586 HEN AAA EEHEHE EEEH Ht Ht FEFE HH Ht HHH FOCUS_TOXSWA v2 2 1 e HH HH HH HH HH HH tt tt HH TOXSWA v2 1 2 F2 ps Ht Ht HEE FERRE ft HHH HH FH HH 10 Nov 2005 ES HH HH HH Ht HH te tte HEHE HEEE Ht EEEH Ht Ht AE Ht Ht HH HH Copyright Alterra Compiled with VisualFortran v6 6 0 BB ALO VK al EG SUROESTE a SAT EN ie ES WAters HS A A O A A ss O O O O A A OO a o O E E E IT Ses Mi a MIOS Bs Be Be Se ee PEN ae Alterra Wageningen UR http www alterra wur nl PO Box 47 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID 00002d_pa File name 00002d_pa mfl A AE RKD Output data for pesticide mass flux of input by drainage as a function of time Key to columns in table Dat Hr Date and hour Za Time Time since start of simulation d ou Bl Flux via drainage into water body mg m 2 h 1 ee ie e 4e 4 4 N w 0 0 0000E 00 0 0 0000E 00 0 0 0000E 00 Older 1 VIE Oe 30 0 146 0 0000E 00 0 0 0000E 00 0 0 0000E 00 0 0 0000E 00 30 Apr 1987 21 30 484 896 0 0000E 00 30 Apr 1987 22 30 484 937 0 0000E 00 30 Apr 1987 23 30 484 979 0 0000E 00 Figure 3 16 Example of mfl output file of FOCUS_TOXSW A 3 3 9 Mass balances output files In the mass balance files all mass listed is calculated with respect to the system considered i e the water
186. n the water layer the pesticide concentration varies in the horizontal direction varying in sequential compartments but is assumed to be uniform throughout the depth of each compartment In the sediment layer the pesticide concentration is a function of both horizontal and vertical directions water layer volatilization macrophytes in transformation suspended solids gee sorption advection diffusion transport advection dispersion sediment layer sorption transformation sediment material ie liquid phase transport advection dispersion diffusion Figure 2 1 Processes in TOXSWA TOXSWA considers four processes 1 transport ii transformation iii sorption and iv volatilisation Figure 2 1 In the water layer pesticides are transported by advection and dispersion while in the sediment diffusion is included as well The transformation rate covers the combined effects of hydrolysis photolysis in cases where this is accounted for in the experimental set up used to derive this parameter value and biodegradation The processes transformation and volatilization are a function of temperature see Appendix 1 for theory Metabolites are not directly considered but can be represented by performing separate runs and adjusting substance application rates for maximum percent formed and molecular weight changes Sorption to suspended solids and to sediment is described by the Freundlich equation Sorption
187. n the water layer is too large to execute the run Reduce the segment length is shown the segment length needs to be decreased coss concentration of suspended solids The constant concentration of suspended solids coss in the water layer depends much on the flow regime in the water body and influence of the wind A concentration of 100 mg L may occur in a shallow lake after a gale In a fast flowing stream it can even be higher raomss mass ratio of organic matter The organic matter content of suspended solids raomss if not measured can be estimated by taking the organic matter content of the top layer of the sediment raomwb dwmp dry weight of macrophyte biomass per mf bottom A dry weight of macrophytes dwmp of 300 g m is a realistic value for the average peak mass in Dutch ditches Bloemendaal ef a 1988 For spring May average peak masses may be 50 g m for summer 300 g m and for autumn October 150 g m These values are based on data from a cut off bend of a river with a water layer of about 0 50 to 1 m The values mentioned above can be used for water bodies with water layers of 0 50 to 1 m deep The macrophyte mass is probably lower for a water body with a water layer of 0 25 m Most of the macrophyte mass is located close to the water surface We estimate that the macrophyte mass in water bodies with a water layer of 0 25 m is about 2 3 of the masses mentioned above for deeper water layers Beltman and Adr
188. nce terms as a function of time Key to columns in table Lo Dete ishke Dees Ela Jane 5 Be TE Time d So IO Water depth in watercourse m 4 Qin Water flow across upstream boundary m3 d Sho Ulla Flow velocity at upstream boundary m d Alterra rapport 586 65 Ooie Water flow across downstream boundary m3 d ws 7 Wowie Flow velocity at downstream boundary m d Sia Unie Froude number at downstream boundary es eed Hydraulic residence time in watercourse d AOS craks Water drained or run off riparian land m d 11 N E S Precipitation Evaporation neg ds Seepage through water body s bottom A A A sg ine tne cy acne A A nt A A sn as mm a A A A A A A A A AE ied 1 2 3 4 5 6 7 8 9 10 it E Dat Hr t hie Qin uin Qout uout ine tau qdr N E S e SE SET A ee ee ee a ee ee ee ee et ae a cae eee ee eee ee ee ed 01 Jan 1986 00 00 0000 DSO 03 FIEXFOL Os 23 EDS OST LEFOL Op L123EF0Z 0 0005021 ZERO 0 000E 00 0 0008 00 0li Jan 19806 01300 07042 0530 OF ST EO O 12 3EFOZ OF 27 LEFT Oe 123EFOZ 0000 OSB Tae 0 Or OOOEFOO O 000R 00 01 Jan 1986 02 00 Q 0e 05301 033 7LE 01 De 2 3EFOZ OST LEKOT O DLSEFOZ 0 00000 2ISE QT O ODE 000 OQUEFOO OlJan 19986 03200 Od 0 30 O63 TEEOT OTe SROs OCSTIEEOL Oe P2SRtO2 0 000 03132 0d OCOOOBELOO 0 OOOEFOG 01 Jan 1986 04 00 Cais OS MILE O ANA Oe TEFL Ol 2E OS000 De LIED OS000R 00 0 ODO EFOO 01 Jan 1986 05 00 0 208 04302 OST IESOL OL LASER OST LE GOL OG 123402 107000 0 3138 OT
189. ncentration in the incoming upward 110 Alterra rapport 586 seepage water may be specified In FOCUS_TOXSWA 2 2 1 the seepage options are not implemented In the section Hydrology the user can choose between the hydrology of ponds and of watercourses Next a hydrology can be selected from the pick list If a lateral entry is selected for a run Main form Lateral entries tab the selected hydrology is used for the run If no lateral entry is selected constant flow is assumed and the selected hydrology is a dummy and not used in the run TOXSWA Scenarios Browse Scenario Code Waterlayer focus_ditch D1 Meteo station Lanna focus_stream D1 Meteo station Lanna focus_ditch D2 Meteo station Brimstone focus_stream D2 Meteo station Brimstone focus_ditch D3 Meteo station Vredepeel D4 Meteo station Skousbo focus_stream D4 Meteo station Skousbo focus_pond D5 Meteo station La Jailliere EX Copy ia mi Edit Scenario Name D4 Meteo station Skousbo Longitude dec degrees East positive Code fr 4 Bt Com Latitude dec degrees County Altitude mm M Seepage Concentration Water layer focus_pond y E p Seepage mm d Sediment layer FOCUS y E 2 Concentration mg L Meteo station Skousbo y E i M Hydrology for lateral entries only A C wat D4_POND SES Help Close Figure 4 13 The Scenarios form 4 8 2 The Water layers form The Water la
190. ncoming mass from the sediment 5 initial Mass initially present in water layer g CAUSA Mass entered via lateral loadings g He rein Mass entered via upstream end g 8 cuinwb Mass entered from sediment g 9 cuouwb Mass penetrated into sediment g 10 cuoueb Mass flowed out at downstream end g TL wko WUE Mass flowed out at upstream end g tae Soest Mass transformed g is euvel Mass volatilised g 14 totmwl Mass remaining in water layer g Negative values indicate fluxes leaving the system 76 Alterra rapport 586 Mass balance percentage of initial loaded and incoming mass from the sediment is il 2 3 4 5 6 7 8 o 10 wi des LS 14 Gl Dat Hr bal bal initial cuinsl cuinub cuinwb cuouwb cuoueb cuoufb cut cuvol totmwl 01 Jan 1986 00 00 0 000 0 0000E 00 0 1000E 20 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 01 00 0 042 0 0000E 00 0 1000E 20 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 02 00 0 083 0 0000E 00 0 1000E 20 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 03 00 0 125 0 0000E 00 0 1000E 20 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 0 0000E 00 01 Jan 1986 04 00 0 167 0 0000E 00 0 1000E 20 0 0000E 00 0 0000E 00 0 0000E
191. nents for the run scenario substance and application scheme Run settings can be specified on the tabs Lateral Entries Simulation Control and Output Control Because of the bottom up approach the sequence of the steps mentioned above should be followed The steps c d e and f are explained in the Sections 6 2 to 6 5 Thereafter the simulation can be started and the simulation results compared with the measurements as explained in Section 6 6 6 2 Definition of the scenario From the main form the TOXSWA Scenarios form Figure 4 13 can be entered to define a new scenario A scenario is composed of a water layer a sediment layer and Alterra rapport 586 159 a meteo station No specific data is necessary for the hydrology for lateral entries because no lateral entries are simulated Before composing a new scenario all the elements water layer sediment layer and meteo station have to be created first How this should be done for a water sediment study is explained in Sections 6 2 1 6 2 3 Section 6 2 4 describes how to compose the scenario for the water sediment study 6 2 1 Water layer After entering the water layers form a new water layer can be created Figure 6 1 shows the water layers form for the example water sediment study The length of the water layer and the bottom width of the water layer have been set at 1 m Their values are not relevant for the simulation because in a system with no flow th
192. nput from outside the simulated water body respectively The met is fully discussed in Section 3 3 2 The m2t and p2t files are fully discussed in Section 3 3 3 The txw file is divided into five sections Run characteristics Definition of water layer and sediment Hydrology of water bodies Pesticide loadings Substance properties Table A1 lists all the parameters that have to be entered in the txw input file In Section 3 3 1 the input of each parameters is discussed How to use estimation methods literature data or experimental data for the parameterization is discussed in Chapter 5 This concerns mostly parameters that have a physical of bio chemical meaning In the table they are indicated by a bold lettertype Table A1 List of all parameters in txw file and their ranges parameter unit description range Section 1 Run characteristics prname name of project max 25 pos locname name of location max 35 pos tuncom comments for run max 80 pos op_hyd simulation control option Od 0 Run hydrology and then substance 1 Assumes hydrology output and assumes hdr file 2 Runs hydrology if no hdr file 3 Runs only hydrology met path and name of meteo file met rodr path and name of m2t or p2t file stdate starting date of simulation in TOXSWA 01 Jan 0000 31 Dec 9999 endate end date of simulation in TOXSWA 01 Jan 0000 31 Dec 9999 chastda
193. nt form The Sediment layers form can be accessed by pressing the button behind the pick list of the option field Sediment layer in the Scenarios form In the Sediment layers form Figure 4 16 a sediment layer has to be defined by specifying a code and a name as well as the number and type of different sediment sub layers The Sediment form consists of two parts One sediment layer consists of several sediment sub layers The upper half of the form Browse Sediment layers contains entire sediments layers In the lower half Browse sediment sub layers properties of individual sediment sub layers can be edited In the Browse sediment section a new sediment can be added with the button of the navigator or an existing sediment can be copied These options are not available when the project is a FOCUS Step 3 project prepared by SWASH The sediment consists of a number of sub layers which on their own are composed of segments The properties of each sub layer are defined by the selected Building Block In the Browse sediment sub layers section the user can modify the different sub layers by specifying the building block code the thickness of the sub layer and the number of segments nzuowb in the sub layer A new sediment sub layer can be added with the button of the navigator or an existing sediment sub layer can be copied Alterra rapport 586 113 The dispersion length Wis is set to one value valid for all sediment sub layers
194. nts can be selected in the box Options for markers Figure 4 41 Whether the markers are shown or not is indicated in the tick box Show markers at the lower left hand side of the window 138 Alterra rapport 586 Chart options Options for Axis Starts at jo Major ticks step fo Endsat 485 Number of minor ticks E Text Day number since 01 Jan 1986 Options for Y Axis Starts at jo Major ticks step fo Ends at 1 3 Number of minor ticks ja Text Water flux mm h Options for Markers Percentage of marker points visible ii 00 Size of marker X Cancel Figure 4 41 Chart options Fill in screen becoming visible after pressing button Options in magnified graph of Figure 4 40 4 12 3 Comparing two simulations The compare button Figure 4 31 4 32 4 34 4 35 can be used to compare a simulation S825 with another simulation The other run can be selected with the aid of the Select run to compare with window Figure 4 42 shows an example of the Select run to compare with window At the top of the window the current selected run is shown by its RunID and Run Name In the section Browse Projects of the tab Calculated Runs the user has to select the project containing the run the users wants to compare with In the section Browse Runs the user has to select the run the user wants to compare with Obviously the column Run Results should indic
195. of drainage or runoff entries basic information on repr channel additional information on repr channel concentrations water layer concentrations sediment sub system mass balance water layer mass balance segment water layer 195 op_msa op_msl op_dba op_dbl op_mob eee a Section 22 OE 00 xfb 0 xeb 0 nxnodit 1 lesedit 1 00 wibot 1 00 saisi 005 wdhf1 1 00 coss 1 raomss 0 00 dwmp 0 castwl 0 0139 coair 0 zwb 0 02500 zebb 0 nznowb 23 lesewb 0 00003 0 00003 0 00003 0 00003 0 00003 0 00003 0 00003 0 00003 0 00006 0 00006 0 00012 0 00012 0 00030 0 00030 0 00030 0 00075 0 00075 0 00200 0 00200 0 00300 0 00500 0 00500 0 00500 bdwb 230 0 1536 0 1536 0 1536 0 193600 536 0 536 0 536 0 S360 536 0 LD 0 5260 19360 398p 23620 536 0 536 0 536r 1536 5 0 1536 50 196 000000007 000000007 000000007 000000007 000000007 19 O 5 ENE BET DN IN e e iS Ss EE ES PNPNPNNNNNNNNNNNNNNN NN msa msl dba si mob Definition of water mass balance mass balance distribution distribution all sediment sub systems sediment sub system substance in total water body substance segment nr wl monthly water and mass balances BNE e a unit m BEALE 9 iad HE vigae e In MALE 2 fad Gre bowie de Tad UNS VINES unit g m 2 vales ends O 5 ENE ENE IN BN EE DI LE DL OI RDG e a ed
196. oncentrations and to differentiate the estimation of exposure concentrations according to regional characteristics like possible pesticide entry routes or water body dimensions In the 1990s the European Commission felt the need to harmonise the calculation of predicted environmental concentrations PEC of active substances of plant protection products in the framework of the EU Directive 91 414 EEC Therefore FOCUS FOrum for the Co ordination of pesticide fate models and their USe was started FOCUS is based on co operation between scientists of regulatory agencies academia and industry Several working groups were installed one of these was the FOCUS Surface Water Scenarios working group The objective of the group was to develop a set of standardised modelling scenarios for three different entry routes into surface water drift drainage runoff and erosion because any model calculation needs a scenario The FOCUS Working Group on Surface Water Scenarios has chosen a specific set of models to account for the different entry routes The TOXSWA model was chosen for the estimation of the final PECs in surface waters The developed EU FOCUS Surface Water Scenarios consist of water bodies that have a transient flow regime caused by variable water entries by runoff or drainage via macropores The released TOXSWA model version 1 2 was suitable to simulate slow flows in Dutch ditches but could not simulate the behavior of pesticides in small surfac
197. onsequently one sediment sub system The watercourse can be 1 to mxnotot segments long define in Section 2 of the txw file In order to simulate variable flow op_vafl 1 in a realistic way the field scale system is defined as the downstream part of a small catchment basin Therefore additional parameters describe this system 34 Alterra rapport 586 Table 3 3 Parameters in Section 3 of the txw file parameter unit Seepage qseif m m d colot g m Simulation options op_vafl z op_hd delthy s Constant flow wdh m u m d Switch pond water course op_powc 3 Pond arpo ha arerpo ha Qbasepo m3 d crestbodypo m wicrestpo m Watercourse lerc m botslrc wibotrc m sislrc Qbaserc m3 d arrc ha crestbodytc m wicrestrc m kManim m 1 3 s alphaen Qbasewc m3 d arupwe ha leplot m leerwc m Alterra rapport 586 Description constant upward or downward seepage through sediment expressed as volume of drained or supplied water divided by contributing plot area and time concentration of pesticide in upward seeping incoming water switch for constant flow of water i e discharge and water depth are no function of time or space or a variable flow because of incoming runoff or drainage water 0 constant flow 1 variable flow switch for hourly or daily data on drainage runoff entries 0 hourly 1 daily calculation time step for water balance calculations of the pond or the watercourse If op
198. ooooooooooooooooooooooooE 2 Section 3 Hydrology of water bodies qseif 0 colo Os op_vafl 1 op_hd 0 delthy 600 wdh 0 500 op_powc 1 lerc 110 borede 0 0010 wibotrc 1 0 Sale 1 0E 05 Qbaserc 191 800 CUSCO 100 crestbodyrc 0 50 wicrestrc 0 5 kMan1m 11 0 alphaen 1 2 Qbasewc 191 800 arupwc 100 leplot i100 leerwc 20 X Section 4 Pesticide loadings op_ldsd 1 op_lddr 0 OPACO Al ntldsd 1 U Alterra rapport 586 ooo0o0o000000 0000 0000000000000 waste 8 U naie E nae W wee g I s atieS Laer Ie Lakes U bouke na watjes I vlieg U aties I uqalie 2 Laker hou E Laar Sebastes UEUn hase ovale 8 Lakes U bouke 3 He Gola UE Sg ber ooooooooooooooooooooooooooE Kea o m 3 m 2 d GS 313130 w gt w S Q EOTS eee eS Bo SB My gt w SS Q raomwb 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 090 0 000000000000000000000000000 191 Appendix 4 chatldsd applot mldsd WSO Dee LE 99 00 1000 0 lavig o g ha mg m 2 stxldsd 0 00 U mmeg i enxldsd 100 00 U oimne g i opl_ldro 2 ae e op_ldrohd 0 WSS Es stxldro 0 00 ee Soa ele a i enxldro 100 00 AE raindr 0 10 Dera ed nsewbldro 20 Le op_ldupbound 1 Mist ee rasuupbound 0 20 wats A A A A o os os e is Section
199. ough the dates do correspond Hence it is recommended to select hourly output for water sediment simulations 6 5 5 Composition of the run On the tab Run Components the components that have been defined for the water sediment study can be selected now the scenario the substance and the application scheme 6 6 Comparison of simulated concentrations with measured concentrations Usually the measured residues in the water layer and the sediment are expressed in of analysed radio activity as a function of time AR Table 6 3 In order to compate these figures with the concentrations simulated in water and sediment by FOCUS TOXSWA the residues in AR have to be converted to concentration g The concentration in the water layer is calculated as the initial concentration multiplied by the residue in AR divided by 100 For the concentration in the sediment a conversion for the difference in thickness between the water layer and the sediment respectively 6 cm and 2 5 cm is needed Hence concentration in sediment initial concentration AR in sediment 100 6 2 5 The results are given in Table 6 3 When the scenario substance application scheme initial concentration and simulation options of the water sediment study have been selected the simulation can be started by pressing the button Calculation The txw input file that is made by the GUI to run TOXSWA for this water sediment study is shown in Appendix 6 Water
200. ound ratio of upstream area where substance is applied to the total upstream area if op_Idupbound 0 this is a dummy Simulation options For simulation of spray drift drainage or runoff the switches op_ dsd op _ ddr or op_ dro respectively have to be set Drainage and runoff cannot be simulated simultaneously only one of them can be selected Spray drift The number of spray drift loadings nt dsd has to be entered For each loading the date chatldsd the pesticide mass applied at the plot app ot and the mass of the loading deposited at the water surface in mg m mldsd have to be specified The loadings should be entered in chronological order The parameter applot is not used in the simulation itself but used to calculate the percentage of spray drift to report in the Alterra rapport 586 37 summary output file For runs comprising drainage or runoff loadings the date s chatldsd are dummy values because the application date s reported in the headers of the drainage or runoff files overrule the date s in the txw file The value of applot needs to be same as the value for applied mass in the header of the drainage or runoff file used for the simulation Furthermore the start distance stx dsd and the end distance enxldsd of the stretch of the water body along which the spray drift loading enters need to be specified Drainage Whether the PEARL or MACRO model was used to simulate the drainage has to be indicated via the sw
201. over a channel cross section base flow i e minimal inflow into watercourse occurring even when there is no runoff or drainage water entering size of the area located upstream of the watercourse from which drainage or runoff water will flow across the upstream end of the watercourse contributing margin of treated plot up to this width drainage or runoff water and pesticide mass flow into the watercourse contributing margin of treated plot for erosion fluxes up to this width eroded soil including pesticide sorbed onto the soil will flow into the watercourse dummy value in case of no runoff erosion 35 Pond The area around the pond that contributes with water and pesticide fluxes to the pond is defined by arpo of which the area arerpo contributes pesticide fluxes by erosion The fluxes in the drainage or runoff files indicated in Section 1 are multiplied by these areas to simulate the water and mass fluxes entering the pond Next to these water fluxes the base flow Obasepo that continuously enters the pond has to be specified The height of the weir in the pond up to its crest crestbodypo and the crest width of the weir wicres po control the outflow of the pond Watercourse Depending on its flow regime and hydromorphic properties the watercourse resembles a ditch or a stream The water fluxes used in the mass balance calculations ate based on a water balance for TOXSWA s watercourse This water balance accounts for all incomin
202. posure concentrations are to be calculated in this most downstream located segment The Output time interval can be set The default value for the time interval is 1 hour which is also the minimum output time interval The size of the output file can be reduced by setting the output interval to higher values TOXSWA does not give some kind of an average concentration for the output interval but it reports the actual concentrations at the output times Note that when the output time interval is set to values larger than 1 hour the graphs will show results for this larger time interval So e g a global maximum concentration that occurs between the start and end time of the interval is not shown in the graph Nevertheless the summary report file reports the actual global maximum and its time of occurrence For evaluation of pesticide exposure in sediment the Thickness of top layer for which the concentrations are calculated can be set Additional output on the water flow in the representative channel can be obtained Tick the box Additional output hydrology and on the next screen specify a maximum of 5 reporting times within the simulation period The representative channel represents the average conditions e g size of flow bottom slope and roughness in the catchment considered For a discharge that is constant over its entire length i e no drain or runoff water flows entering laterally a transient water flow is calculated resultin
203. pstream catchment basin the water level in the representative channel is calculated by either assuming uniform flow conditions for which the Ch zy Manning equation can be applied or by assuming a backwater curve in front of a weir of which the water level at a certain distance represents the water level in the TOXSWA watercourse Chow 1959 1 Profile of water surface elevation above a specified reference level along a flow path usually upstream from an obstruction 20 Alterra rapport 586 FOCUS ditch scenario Weir to maintain min water depth of 0 30 m Drainage from upstream 2 ha not treated with pesticide Figure 2 5 The ditch as defined in the FOCUS Surface Water Scenarios N326 02 FOCUS stream scenario Weir to maintain min water depth of 0 30 m Runoff from upstream 100 ha of which 20 ha treated with pesticide Figure 2 6 The stream as defined in the FOCUS Surface Water Scenarios 2 2 Limitations TOXSWA was developed to estimate exposure concentrations of aquatic organisms in ditches implying that it was not meant to simulate large water bodies like lakes or rivers Neither is TOXSWA designed for simulations on a regional scale In the current registration procedure chronic exposure of organisms to pesticides is tested in laboratory tests executed for a maximum of 28 days Initially this was also the period TOXSWA has been developed for That is the reason we did not include formation of ad
204. published in any form or by any means or stored in a data base or retrieval system without the written permission of Alterra Alterra assumes no liability for any losses resulting from the use of this document Project 232693 Alterra rapport 586 juni 2006 Contents Preface Summary 1 Introduction 1 1 General 1 2 Main differences between TOXSWA 1 2 and FOCUS TOXSWA 1 3 Installation and registration 1 4 Reporting of errors and support 1 5 Documentation 1 6 Structure of uset manual 2 Model description 2 1 Overview 2 2 Limitations 3 User s guide for the command line version of FOCUS_TOXSWA 3 1 Running the model 3 2 Overview of input and output files 3 3 Description of input and output files 3 3 1 3 3 2 3 3 3 3 3 4 3 3 5 3 3 6 3 3 7 3 3 8 3 3 9 3 3 10 The TOXSWA input file txw Meteo input file Drainage and runoff input files General output files Hydrology output files Representative channel output files Concentration output files Drainage Runoff output file Mass balances output files Distribution output files 4 User s guide for the TOXSWA Graphical User Interface 4 1 Introduction 4 2 Getting Started 4 3 Generating FOCUS Step 3 runs 4 4 Preparations 4 4 1 4 4 2 4 4 3 4 4 4 Running TOXSWA Viewing the results Special cases substances with Koc higher than 30 000 L kg Special cases metabolites Alterra rapport 586 11 13 13 14 14 15 15 15 17 17 21 23 23 24 25 25 40 41
205. put file Alterra rapport 586 53 4 ok H 4 FF HF FF HF E HF HF HF HF F 4 HEEE HHH Ht Ht Hi HE iki HEEE FOCUS_TOXSWA v2 2 1 Ht tt tt HH tt tt tt tt tt TOXSWA v2 1 2 F2 Ht Ht HH ttt FEEF HE THE PE HF 10 Nov 2005 tt tt tH tt Ht te oH HEER HEEE iki HHH iki tt HER iki iki tt HR Copyright Alterra Compiled with VisualFortran v6 6 0 TROCAR Suis Ss ct gimme Ss al it SUE a CS WAters Alterra Wageningen UR http www alterra wur nl PO Box 47 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID 00002d pa File name 00002d_pa mob Major water balance terms and hydraulic residence time per month Key to columns in table PEO Month number 2 month Name of the month 3 year Year 4 avwar Average cross section area flow m2 Sho Avu Average flow velocity m d 6 avQout Average water flux out m3 d 7 tauav Average hydraulic residence time d 8 iday Day number of middle of month 0 me Name code of table T 2 3 4 5 6 y 84 imo month year avwar avu avQout tauav iday na 1i date 19856 QSO OO OO OSO OA Ween 2 Beo IO SS E OOO AS ES OS MN OEROL OS OA 45 0 hy 54 Alterra rapport 586 DE ee EAS IEA E E MES eee ee I HE He EP MIE 30 O 015 O CUE LER O A CEN 12 totmwl 166E 02 282EF0UZ 615E 01 0 000E 00 0 000E 00 0 000E 00 3 Mar SIGO OS BEOOR
206. r 1986 OMO O0 OE KO OPOE S OTE 01 0 000E 00 099858202 391 E 2035 Ape 1986 0 2 000H 00 0 12 71E KON 0 000E 00 501825010 1288202 Alterra rapport 586 LIS OL 0 000E 00 136H 01 342E 01 2 Al OZ OL pda Oe 290E 04 190E 04 SOS 0 328E 00 0 287E 00 0870501 Or 200H 02 55 Pa Ne ae ie Pe ER e E AL EA E O Be Hes a OOOO 0 SS all 10 OOI 0 SSL OZ 6662 09 SOZ 000E 00 0 359E 05 0 000E 00 0 408E 02 666E 09 425E 02 OQO HEE 0040359809 00008 00 OS 258h 02 7666 095 263K 02 NOVO HEOOMORS SIH 0 0 OOOH OOM ORIN SOD Sr SEO Sr LSO OOOH FOO ORS oo Bie 0 OO OO 01102 0666709 AL SOZ OQO OMO SE OS O NM ANNO AOS SAO e AA OS COUTO Or 393h 01 OF 000E 00 02 220E3085 29 VE ON Sr SOE HOE NOOO 0 LOOS CO OOOO 0 1520 HEGEL Se LOOS 000E 00 0 674E 02 0 000E 00 0 396E 02 209E 01 674E 02 OO ANO Y SCHEEOZ CO NOOO 0 MAZO O Se IO OZ 000E 00 0 240E 02 0 000E 00 0 151 E 03 157E 01 240E 02 000E 00 0 446E 01 0 000E 00 0 300E 01 183E 02 480E 01 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 000E 00 OS 1365503 923E 04 665E 04 373H 04 209E 04 LSO SHOES OT 408E 01 saa i SO SAL LOL 2305506 148E 06 1028706 o HOH 07 402E 07 2107 142E 04 309E 04 355E 04 282E 04 257E 04 184E 04 o ALO 0S 402E 03 SAD OS 170803 o OS 993E 04 o LZ A00 389E 00 SORT 00 372E 00 PODEC o OZ Mont
207. raomwb E o ye e o o Bik SIE e A e o E o a Lo Ee EN o CD EAT ICAA TA EA A EN A ERE ED DDDNDNNADADAIAIAAAAVDIAASIAA A AW Alterra rapport 586 1536 0 0 42 0 36 0 016 LSS 0 0 42 0 36 0 016 153650 0 42 USO OMONE oie ies ONO MOS ldis 0 0150 roes mi castwb 0 0000 IE ANS 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 E IA DS RN KEN DEN EE LPD Co ae E MS ar ney ay A A A SR EN NN E la A N E E NT E o man Sere E EN E E E a E A ow e qseif 0 U aiee SAO colot 0 A EAS op_vafl 0 munite op_hd 0 l abia delthy 600 n e S wdh 0 060 U wineg i u 0 M inae iq cl ME A en A a eee ees B Section 4 Pesticide loadings RA A EI ee A A a a ee ae ee EN eee eee oe else Lale G leki Q md Go leo Y T Weg A A A oe ee ee ee A A ee Se ae hee ee ae ee hae ee o ee be he be be E Ae EA E EN os Section 5 Substance properties KEE a a a a A EEE EI eee ee eee eee eS eee ee ee ee ee ee ee eee Se suname WS mamol 418 90 unit g mol psat 1 700E 07 base a IZel tepsat 293 15 ratie ix 1 1 1 mepsat 95000 0 AA od cosol 7 500E 00 aties e s tesol 298 15 IES mesol 27000 0 ais Oort kdmpdit 0 00000 kdomssdit 44 08353 coobkomss 1 00E 03 exfrss 0 90 unit m 3 kg unit m 3 kg vnes konsis Othe Alterra rapport 586 197
208. rectangular cross sections of the water body the mass deposited by spray drift is converted into a too low concentration addition in the water layer so a bug in vl 1 1 In v2 2 1 this bug has been corrected This correction does not affect calculations with FOCUS scenarios because FOCUS water bodies all have rectangular cross sections So non FOCUS v1 1 1 calculations for water bodies with non rectangular cross sections e g trapezoidal where the PECs were caused by spray drift deposition and not drainage or runoff entries resulted in too low concentrations e g for a water body with a width of the water surface of 2 m a water depth of 0 5 m a bottom width of 1 m and 1 1 side slopes the underestimation made by v1 1 1 is 33 m3 he run time of v2 2 1 is more than halved compared to v1 1 1 The number of exponentiations needed for calculation of Freundlich adorption taking substantial part of the total run time has been diminished in v2 2 1 For substances with Freundlich exponents of 1 the exponentiations for Freundlich adsorption are bypassed in the program further reducing the run time for this kind of substances These changes do not affect the results of the calculations m4 In v2 2 1 the concentrations in the water layer cwa output file and in the sediment cs output files ar given with 7 significant numbers In vl 1 1 4 significant numbers are given This change in output does not affect the simulation nor th
209. red concentrations for the water layer is shown in Figure 4 48 The format for the sediment data is shown in Figure 4 49 The user can make the data files by using the shown formats Four columns should always be given in the file When the standard deviations are not known dummy values should be entered Data in the file should be sorted by time File with measured data concentration in water layer The last column is only needed for the option E Standard ceviat bons Sample time Distance Average Sa a date hr m mg L mg L Ol May OZD 25 0 00061 0 00009 ON EO OOR 0 00098 0 00007 Olle LIZE TD 0 00114 0 00009 Ol fteng 1992 12300 5 0 00127 0 00006 LS May 1992 12300 25 0 00063 0 00008 LS AGZ LDRDO 50 0 00103 0 00010 LS Mes 199212300 WS 0 OOLZS 0 00006 LM AGO LEN DD 0 00134 0 00010 151651992129 00 Le 0 00067 0 00006 15 61 992 1 230050 0 00102 0 00005 1S Hmm 1992 12300 V5 0 00124 0 00010 15 11 992 12300 5 0 00130 0 00005 VO dem 1 99212300 FS OR OOM 0 00009 HOE TI A LEO Le 0 00065 0 00008 VO tun APO LEEDO 50 0 00104 0 00010 VO LIZ 5 0 00136 O DDS Figure 4 48 Example of the data file with measurements of concentrations in the water layer File with measured data profiles of total concentration in sediment The last column is only needed for the option eh Srandard deviations a Time Depth layer Average Socks date hr m mg dm3 mg dm3 from to 01 Ma
210. rs when the calculate button is pressed for a project that contains this kind of runs The message has to be clicked away by the user For non FOCUS Step 3 projects the message is also given but the FOCUS highKoc sediment segmentation is not selected automatically The user can change the sediment segmentation To do so at the Scenarios form copy the relevant scenario In this copied scenario exchange the FOCUS sediment for the FOCUS highKoc sediment Back at the Main form select the run and replace the scenario by the scenario with FOCUS highKoc sediment Then the run can be executed However it remains the responsibility of the user to check that he she has indeed obtained a converging solution with this proposed segmentation 4 4 4 Special cases metabolites TOXSWA can only simulate the behaviour of one substance in the water body so it does not simulate the formation of metabolites in water or in sediment However it is possible to calculate or at least estimate the concentration of the metabolite in water and in sediment The following cases can be distinguished 1 Metabolite is only formed in soil metabolite study MACRO and PRZM calculate loadings of the metabolite into the surface water TOXSWA needs to make a separate run for the metabolite with its specific substance properties using the metabolite m2t or p2t file for drainage or runoff loading The TOXSWA run for this metabolite has no spray drift deposition incorporated SW
211. s is also given in tables 3 1 3 5 in this chapter Note that not all parameters have to be entered for each simulation E g for a run with a pond the parameters concerning watercourses ate not needed in the txw file The TOXSWA GUI writes only parameters to the txw file that are needed for the run and parameters that are obligatory for TOXSWA TOXSWA input file for TOXSWA model version MLODKSIW 25 hg Bele made by TOXSWA GUI version TOXSWA GUI 2 5 File name C SwashProjects project_H_sw toxswa 00002d_pa txw Contents 8 adi moja MORSA ZENNE ZS Eman Creation 23 jan 2006 14 44 Chama engs IC SMO EMA ENE E A O E EE EP ee Rk ES Run id 00002d pa Substance Dummy compound H_sw Crop Cereals winter Water body type OCUS ECEE Application method ground spray Application rate of first application 1 0000 kg ha Number of applications al Remarks NA E EEE EE EE EEE EE eee Ee Se ee eee E sesion lo Rimm eacracrorniscias MAS En E E A EE O E E A O A A A A AA A Se ee Ey prname project_H_sw Name of project max 25 pos locname D6 Meteo station Thiva Name of location max 35 pos runcom FOCUS Run Comments for run max 35 pos op_hyd 0 Hydrology simulation control option met Thiva met rodr c swashprojects project_h_sw macro cereals_winter macro00002_p m2t stdate 01 Jan 1986 l tries endate 30 Apr 1987 Gakic e chastdatemet Jan 1977 chaendatemet Dec 1994 de
212. s balance all sediment sub systems op_msl 10003slpa msl mass balance sediment sub system op_dba 10003slpa dba distribution substance in total water body op_db1 1 10003slpa dbl distribution substance segment nr wl Alterra rapport 586 189 p Section 2 xdit xfb xeb nxnodit lesedit wibot Saou wdhfl Coss raomss dwmp castwl coair zwb zebb nznowb lesewb 190 SOONG SOO ee SS eee Shey See ene ey ey SOS ey SSS Sn ny GK NOMEN Knorr ODIA en oy Sl ooooooooooo dl 10003slpa mob Definition of water Gime Gra wo 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 0000 10000 00003 00003 00006 00012 00030 00075 00200 00300 00500 01000 02000 ooooooo oo 00003 00003 00006 00012 00030 00075 00200 00500 01000 ONO S50 0 0 monthly water and mass balances ase E al raties iad OGLE e Gates UNA UAE 2 i Unies unae Tad VINILE E CNS Sig aia Praatjes CAZ SES CNAS Pee CNAS Tumae tad Vime tad Sinte 00003 0 00003 00003 00030 01000 0 00003 unit m Alterra rapport 586 0 03000 800 800 800 800 800 800 800 800 800 800 800 800 800 800 800 800 800 800 800 800 Rae KAS ldis 0 0150 castwb 27 0 oo
213. sd dd mm time of loading These are dummy values in case of FOCUS where yyyy hh TOXSWA is coupled to MACRO or PRZM3 which calculate exact application data with the aid of the Pesticide Application Timer PAT module applot gaij ha pesticide mass applied at plot midsd g m mass per square meter deposited onto the water surface stxldsd m start of stretch of water body onto which spray drift is deposited enxldsd m end of stretch of water body onto which spray drift is deposited Drainage op1_lddr output from which drainage model 1 PEARL 2 MACRO op_lddrhd switch for hourly or daily input data 0 hourly 1 daily stxlddr m start of stretch of watercourse into which drainage water enters enxlddr m end of stretch of watercourse into which drainage water enters Runoff op1_ldro output from which model 1 PEARL 2 PRZM op_ldrohd switch for hourly or daily input data stxldro m start of stretch of watercourse into which runoff and eroded soil enter enxldro m end of stretch of watercourse into which runoff and eroded soil enter raindr ratio of infiltrated water draining directly into water body dummy if no runoff nsewbldro E number of upper segments in sediment into which the pesticide mass sorbed onto the eroded soil will be evenly distributed dummy if no runoff erosion Upstream catchment op_ldupbound switch for inflow across the upstream end of the watercourse O no 1 yes dummy for pond rasuupb
214. sediment studies ate used to determine transformation rates to be used as input for FOCUS surface water calculations The transformation rates should be determined with optimization tools These tools minimise the differences between simulated and measured concentrations in water and in sediment The simulation of the water sediment study presented in this chapter can be the start of the optimization of the DT50 values in water and in sediment The DT50 values found after optimization can be entered for the simulation presented Then after the simulation the measured and simulated results can be compared in the GUI In Section 4 11 4 it is described in detail how to compare visually the simulated results with experimental data The result for the example water sediment study is shown in Figure 6 7 The transformation rates given in Table 6 2 were used for the simulation 168 Alterra rapport 586 Table 6 3 Residues of parent in water and in sediment of the example water sediment study Time days 0 0 0 25 0 25 NI JD DN E 105 105 Residues in water AR 46 9 52 9 36 1 41 8 35 2 32 7 15 0 16 7 1 6 15 2 9 N D N D N D N A N A N A N A Residues in water g m 0 00657 0 00741 0 00505 0 00585 0 00493 0 00458 0 00210 0 00234 0 00022 0 00021 0 00041 N D N D N D N A N A N A N A N D Not Detected N A Not Analyzed Residues in sediment AR 51 1 47 4 53 5 54 0 51 5 53 4 55 4 54 4
215. segments of the sediment i e the calculated concentration in the sediment and in the water layer depend on the size of the segments in the sediment Therefore we recommend using thinner segments at the top starting with segment thicknesses of 0 01 mm see e g Appendix 4 which represents the FOCUS highKoc segmentation It is the responsibility of the user to check that he she has obtained a converging solution with the segmentation used See e g Section 9 4 of Leistra ef al 2001 bdwb bulk density of dry sediment material por porosity Little information on sediment properties as a function of depth is available Bulk density p bdwb porosity e por and organic carbon numbers given in Table 5 2A and 5 2B can be used for a ditch in a sandy soil They are based on bulk densities and porosities measured in the experimental ditches of Alterra that are representative for ditches in a sandy area Table 5 2A Sediment properties as a function of depth in the experimental ditches of Alterra two years after construction average of four ditches with 16 sediment cores per ditch taken in the course of the growing season Layer Organic carbon Dry bulk density Porosity cm kg dm m3 m 0 1 2 3 0 65 0 68 1 3 0 9 1 46 0 40 3 6 1 0 1 56 0 36 Below 6 1 1 1 54 0 36 Alterra rapport 586 151 Table 5 2B Sediment properties as a function of depth in the experimental ditches of Alterra seven years after construction average of two d
216. ses three runID numbers Alterra rapport 586 103 In the Browse runs section the user can select a run by clicking on the run If a run is selected the column Selected shows the word Yes The navigator allows the user to jump to the first run to jump to the last run to create a run or delete a run respectively The Copy button shown above the navigator buttons allows the user also to make a copy of the selected run In the browse runs section the column FOCUS run indicates True when the tun was prepared by SWASH so it is a standard FOCUS Step 3 run In projects prepared by SWASH all runs are FOCUS Step 3 runs When the project was created or copied in the TOXSWA GUI the runs are not standard FOCUS Step 3 runs and False is shown The column Name shows the name of the run and the column Results shows if output is available When a simulation has not yet been done the column Results shows the message Not available If a run has been performed successfully the column Results will show the line Available If a run has been stopped during simulation because of an error the column Results shows the message Error The nature of the error can be learned from the message on the Run Status tab All records in the Browse runs section that have been prepared by SWASH i e FOCUS Step 3 runs are locked in the TOXSWA GUI FOCUS Step 4 runs can be set up by combining items
217. settings into a default National settings using dots as decimal symbol and to restart the computer Next new m2t files need to be created with dots instead of commas as decimal symbols It is not guaranteed that the unwanted removal of the executable of TOXSWA and the param for file during a run from the SWASH TOXSWA directory occuring in v1 1 1 resulting in I O error 103 has been fully solved Several precautions have been taken to prevent unwanted removals E g in vl 1 1 the calculations were started via the preparation and execution of a batch file in v2 2 1 the calculations Alterra rapport 586 185 start directly from the GUI Differences between FOCUS_TOXSWA 1 1 1 and FOCUS_TOXSWA 2 2 1 odel m1 In v1 1 1 the maximum time step for the water layer for substances with Koc values below 10 L kg is 600 s in order to obtain a positive stable numerical solution of the mass conservation equations In v2 2 1 the criterion is tightened to Koc values below 100 L kg The consequence is that for substances with Koc values between 10 and 100 L kg v2 2 1 does not use anymore the time steps of 1200 and 1800 s for the water layer This change may result in slight but not significant changes in calculated peaks or TWA concentrations for substances with Koc values between 10 and 100 L kg lt 0 2 see e g the results for substance H_sw at item 14 of this form with Koc 100 L kg m2 In vl 1 1 for non
218. sion model PRZM or of the drainage model MACRO to obtain the transient flow regime in the TOXSWA water body This document is an update of Appendix L the TOXSWA_in FOCUS User Manual of the final report of the Working Group on FOCUS Surface Water Scenarios FOCUS 2001 that can be found at the FOCUS website of the Joint Research Centre of the EU in Ispra Italy http viso eijrc it It also replaces the draft version of this manual of 27 September 2002 An e mail address for communication with the developers is given in this manual Users of TOXSWA are encouraged to report difficulties and errors they experience as well as suggestions for improvement 10 Alterra rapport 586 Summary The TOXSWA TOXic substances in Surface W Aters model has been developed to calculate exposure concentrations which are used in the ecotoxicological risk assessment of pesticides for the aquatic ecosystem TOXSWA simulates the behaviour of pesticides in a water body at the edge of field scale Le a ditch pond or stream adjacent to a single field It calculates pesticide concentrations Predicited Environmental Concentrations PECs and Time Weighted Average Exposure Concentrations TWAECs in both the water and sediment layers FOCUS TOXSWA simulates a transient hydrology and it simulates pesticide fluxes resulting from drainage surface runoff and erosion as well as instantaneous entries via spray drift deposition In order to simulate the flow dynamics
219. substance Alterra rapport 586 97 98 100 101 102 103 104 106 106 107 109 110 110 111 113 115 118 121 121 124 125 126 127 128 129 137 139 141 145 147 147 148 148 154 154 155 159 159 159 160 161 164 164 165 6 4 Definition of the application scheme 166 6 5 Specification of run settings 166 6 5 1 Initial concentration in the water layer 166 6 5 2 Lateral entries 167 6 5 3 Simulation 167 6 54 Output 167 6 5 5 Composition of the run 168 6 6 Comparison of simulated concentrations with measured concentrations 168 References 171 Appendices 1 Theory on effect of temperature on transformation and volatilization 175 2 Input files for FOCUS TOXSWA 177 3 Read me TOXSWA text file for installation of TOXSWA 183 4 The txw input file for FOCUS TOXSWA with recommended segmentation of the sediment in case of substances with a Koc higher than 30 000 L kg 189 5 Estimation of the tortuosity factor for sediment 193 6 The txw input file for the example water sediment study 195 Alterra rapport 586 7 Preface The TOXSWA model calculates exposure concentrations to be used in the ecotoxicological risk assessment of pesticides for the aquatic ecosystem It was released in April 1996 and TOXSWA model version 1 2 has been introduced into the pesticide registration procedure of The Netherlands in June 1999 It then replaced the simpler SLOOT BOX model in order to be able to better estimate chronic exposure c
220. t of the TOXSWA met File Don t use tabs or commas and remove all empty lines From the file Do you want to proceed importing data Figure 4 20 Screen with instructions shown after pressing the button Tmport Datafile in the Meteo Stations form Alterra rapport 586 117 4 8 5 Hydrology Pond and Hydrology Watercourse forms From the Scenarios form in the section Hydrology you can enter the Hydrology form either for ponds or for watercourses For FOCUS Step 3 runs defined by SWASH the radio button combinations Pond Watercourse is disabled For other runs the user can select the type of water body The Hydrology form can be accessed by pressing the button behind the pick list Which of these two is opened depends on the type of hydrology selected via the radio button Pond Watercourse In the Hydrology form Figures 4 21 and 4 22 a hydrology has to be defined by specifying a code and a name next values need to be attributed to the different parameters defining the hydrology The Hydrology form for a pond is shown in Figure 4 21 In the Browse Hydrology ponds section a new hydrology of a pond can be added with the button of the navigator or an existing hydrology of a pond can be copied In this form Figure 4 21 values can be entered for the contributing area of the pond arpo the base flow into the pond Obasepo the height and width of the weir crestbodypo wicrestpo controlling the
221. t of the screen a browse box the user can select a project with the aid of the navigator The navigator allows the user to jump to the first project to jump to the last project to create a project or delete a project respectively The copy button shown at the same line as the navigator buttons allows the user also to make a copy of the selected project By pressing the OK button the selected project is opened and the next form the Main form is entered The selected project is shown in the boxes behind Name and Description For False SWASH projects the latter can be changed by the user On the Go to bar the user is offered the following possibilities The SWASH button is enabled only in case the user entered the TOXSWA shell directly te without passing by SWASH Double clicking on it closes the TOXSWA application and starts SWASH As SWASH and TOXSWA use the same database it is not possible to have both applications running at the same time and so TOXSWA s shell is exited before SWASH can be started The PEARL button is disabled grey because the connection to the PEARL model is not yet operational The IMAG Drift Calculator button is only operational for False SWASH projects ie not for FOCUS Step 3 runs The IMAG Drift Calculator is developed by the Dutch IMAG institute It calculates drift deposition onto water surfaces based on their drift deposition experiments for several crops Holterman and Van de
222. t tHE FE FH HH 10 Nov 2005 Ht Ht tt Ht Ht Ht ttt PERE AAR HH Hd HH He HAER HH HF HHR Copyright Alterra Compiled with VisualFortran v6 6 0 ONE E Sully stam ee s at am SW af ES WAters Alterra Wageningen UR http www alterra wur nl PO Box 47 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa Run ID 00002d_pa File name 00002d_pa mwl Mass balance of segment 10 of the water layer as a function of time middle of segment is at 95 000 m Key to columns in table i Deneishe Dewe ela mowie 5 Let Time d Sa Joala Mass missing in balance of all terms in g per running metre of the water body g m 4 baln Mass missing in balance of all terms as percentage of initial loaded incoming mass via upstream end and incoming mass from the sediment 5 initialn Mass initially present in segment g m 6 cuinsln Mass entered via lateral loadings g m Ta Cus TER Mass entered from foregoing segment g m 8 cuinen Mass entered from next segment g m 9 cuinwbn Mass entered via sediment g m 10 cuouwbn Mass penetrated into sediment g m 11 cuouen Mass flowed out to next segment g m IZ CUORE Mass flowed out to foregoing segment g m LIe AE ea Mass transformed g m 14 cuvoln Mass volatilised g m 15 totmwln Mass remaining in segment g m 78 Alterra rapport 586 Negative values indicate ae E A 30 Apr 30 Apr SOA
223. tance m 95 X Compare Q Y Dissolved Y Ads to susp solids Y Ads to macroph Y Total T T T y T 200 250 300 350 400 Day number since 01 Jan 1986 Concentration of pesticide in water f t 0 50 100 150 Concentration of pesticide in sediment f t Concentration pg L Distance m 95 hd Compare Q Y Dissolved Y Ads to sediment M Total Concentration ug dnr 150 200 250 300 Day number since 01 Jan 1986 7 Help Es Print Close Figure 4 34 Graph Concentration of pesticide in water and sediment as a function of time 5 Concentration of pesticide in water and sediment as a function of distance The concentration in the water layer and the sediment as a function of distance can be presented graphically for maximally 5 points in time Figure 4 35 These 5 points in time can be selected manually Put the cursor of the mouse on the box with the 5 points in time and press the right mouse button The box shown in Figure 4 36 appears Select a time step and press the OK button to replace a point of time with a new one The graphs for both the water and the sediment 132 Alterra rapport 586 now change For the sediment three graphs are shown presenting the total pesticide concentration in the selected top layer of the sediment at three locations As explained above the pick lists here entitled Sed allow the user to view the sediment concentrations at
224. ted many times this option enables reduction of simulation time in case the hydrology inputs are not changed The default option is op_hyd 0 the hydrology and mass balances are both simulated The intermediate hydrology file hdr unformatted binary file containing all hydrology data is not prepared then The option op hyd 1 can be used to reduce simulation time provided that the intermediate hydrology file is available and the simulation can skip the calculation of the hydrology The intermediate hydrology file is available after simulation with option op_hyd is 2 or 3 Using op hyd 2 TOXSWA verifies the availability of the intermediate hydrology file When the intermediate hydrology file is present TOXSWA skips the calculation of hydrology When the intermediate hydrology file is not present TOXSWA simulates the hydrology first and generates the hdr file With op hyd 3 only the hydrology of the run is simulated and the hdr file is generated Alterra rapport 586 29 Table 3 1 Parameters in section 1 of the txw file Parameter General information prname locname runcom Hydrology simulation op_hyd Input files met rodr Unit Simulation and meteo data periods stdate DD MMM YYYY endate DD MMM YYYY MMM YYYY chastdatemet chaendatemet Simulation options deltwb deltouth nwbsy twbsy ktop ntcurve tcurvedate Output files op_hyb op_mfl op_rc1 op_rc2 op_cwa op_cs1 op_mwa op_mw1 op_msa op_ms1
225. temet MMM starting month for which average temperature is given in met YYYY file chaendatemet MMM last month for which average temperature is given in met file YYYY deltwb s calculation time step for sediment 1 3600 Alterra rapport 586 177 deltouth h time step for output except for hydrology output 1 1000 nwbsy number of segments in water layer coupled to sediment sub lined systems for which output is wanted iwbsy segment number in water layer at or under which output is 1 200 wanted ktop number of upper segments forming the top layer for which the 1 50 PEC sediment will be calculated ntcurve number of selected times for additional output on calculations in 0 10 representative channel a o profile of backwater curve tcurvedate dd selected times for additional output date and hour In simulated mmm petiod yyyy hh op_hyb detailed water balance water layer 0 no 1 yes Oeral op_mfl drainage or runoff entries 0 no 1 yes 0 1 op_tcl basic data characteristics representative channel only for 0 1 watercourses ditch or stream 0 no 1 yes op_tc2 additional data characteristics representative channel only for 0 1 watercourses ditch or stream 0 no 1 yes op_cwa concentrations water layer 0 no 1
226. ter sediment study 6 2 2 Sediment layer After entering the Sediment layers form a new sediment layer can be created A sediment layer consists of several sediment sub layers Each sub layer is defined by a thickness and a building block Figure 6 2 shows the Sediment layers form for the example water sediment study Alterra rapport 586 161 TOXSWA Sediment layers Browse Sediment layers Focus Sediment Code FOCUS_highKoc Focus_highKoc Sediment Vredepeel sediment Name C3 iver WS sediment gt C3tiver WS sediment C3iver_WS sediment ER Copy Sediment layer Browse sub layers in sediment layer 1 C3tiver WS 0 00024 2 C3river WS 0 00012 3 C3river_WS 0 00024 E 4 C3river_ WS 0 00030 lt Edit sub layer in sediment Dispersion length of all sub layers Dj f Dispersion length m 001s Sediment Building Block code C3river_ wS hd Ed Thickness of sub layer m 0 00024 No of segments 8 Help Close Figure 6 2 The sediment layers form for the example water sediment study Because of the bottom up approach in the GUI Sediment Building Blocks needed for the definition of the sediment sub layers should be defined first The Sediment Building blocks form for the example water sediment study is shown in Figure 6 3 The composition of the sediment in the example water sediment study was 3 9 clay 6 0 silt 90 1 sand and 0 9 organic carbon on mass basis Because the sediment layer is assumed to
227. th which versions the results were obtained The date on the sixteenth line of the header indicates the date and time that the simulation was performed The seventeenth line gives the directory on your PC where the simulation was performed SWASH and TOXSWA automatically give an ID number to a tun For FOCUS runs the d in the ID indicates that the simulation was done for a ditch and the pa indicates that the simulation was done with a parent substance The main physico chemical properties of the simulated substance are repeated as well as a summary of water body system properties Be aware that the dimensions of parameters may differ from the dimensions of the parameters in the input files The application pattern and deposition by spray drift on the water surface is given Notice that for FOCUS stream scenarios the drift value given in the sum file differs from the value of the FOCUS drift calculator Drift calculated with the FOCUS drift calculator is multiplied by 1 2 for stream runs because of the assumption that 20 op the upstream catchment is treated FOCUS 2001 Section 4 5 Some information about the drainage or runoff entry route into surface water and the maximum hourly and daily fluxes and concentrations in drained water or runoff are given The total mass of the pesticide entered in the water body is printed per month Water balance elements and temperature of the water body are also given per month Tables with a monthl
228. the area located upstream of the watercourse from which 0 10000 drainage or runoff water will flow across the upstream end of the watercourse leplot m contributing margin of treated plot up to this width drainage or 10 100000 runoff water and pesticide mass flow into the watercourse leerwe m contributing margin of treated plot for erosion fluxes up to this 10 100000 width eroded soil including pesticide sorbed onto the soil will flow into the watercourse dummy value in case of no runoff erosion Section 4 Pesticide loadings op_ldsd spray drift user specified 0 no 1 yes Ose op_lddr drainage model output O no 1 yes Ol op_ldro model output 0 no 1 yes Orsa ntldsd number of loadings 0 50 chatldsd dd mm time of loading These are dummy values in case of FOCUS In simulated yyyy hh where TOXSWA is coupled to MACRO or PRZM3 which period calculate exact application data with the aid of the Pesticide Application Timer PAT module applot gai ha pesticide mass applied at plot 0 106 mildsd g m pesticide mass per square metre deposited onto the water surface 0 106 stxldsd m start of stretch of water body onto which spray drift is deposited 0 10000 enxldsd m end of stretch of water body onto which spray drift is deposited 0 10000 op1_lddr output from which drainage model 1 PEARL 2 MACRO ee op_lddrhd switc
229. the use of FOCUS_TOXSWA fits in the simulation of the FOCUS surface water scenarios is documented in FOCUS 2001 Adriaanse ef al 2003 presented via FOCUS TOXSWA calculations the effect of some FOCUS scenario assumptions on calculated exposure concentrations FOCUS_TOXSWA will often be used in combination with SWASH The use of SWASH is reported by Van den Berg ef al 2005 and the programmers guide of SWASH by Te Roller ef al 2002 1 6 Structure of user manual Chapter 2 gives an overview of the modelled system in TOXSWA and a description of the pesticide processes Chapter 3 gives the user s guide for the command line version of FOCUS TOXSWA The ASCII input files and the output files made by TOXSWA during Alterra rapport 586 15 a simulation are discussed Chapter 4 gives the users guide for the TOXSWA Graphical User Interface The inputs of all the screens that can be opened by the users are discussed as well as the graphs that can be viewed Chapter 5 gives guidance on the parameterization of the model In Chapter 6 it is demonstrated how to setup a non FOCUS simulation with FOCUS TOXSWA using a water sediment study as an example 16 Alterra rapport 586 2 Model description 2 1 Overview The TOXSWA model describes the behaviour of pesticides in a water body at the edge of field scale i e a ditch pond or stream adjacent to a single field It calculates pesticide concentrations in the both water and sediment layers I
230. tion in water data Filename DATOXSWA manual metingen Vreedepeel Meas_water dat S Sample time a Distance fi 00 A J Show standard deviation M Measured concentration in sediment data Filename D ATOXSwA manual metingen Vreedepeel Meas_sediment dat E Time Depth layer o 0 05 V Show standard deviation 1 View Close Figure 4 45 Exampie of the Select run to compare with window with tab Measured Concentrations When both files with experimental data have been selected the user may press the View button A screen appears with at the top of the page the graph of the concentration in water and at the bottom of the page the graph with the concentration of pesticide in the sediment Figure 4 46 and Figure 4 47 When more than one segment for output was selected at the Output Control tab see Section 4 6 7 the program will ask the user to select a water layer segment for which the calculated concentrations will be shown Note that the segment selected for output applies to the water layer and its underlying sediment subsystem 142 Alterra rapport 586 Concentration of pesticide in water f t M Show standard deviation M Show markers Options Run C SwashProjects project_O toxswa 000000003 cwa at distance 95 Measured 95m a Dissolved 2 Ads to susp solids El Ads to macroph 2 Total E 13 o 5 0 0 50 100 1
231. to macrophytes is described by a linear sorption isotherm but this feature is not used in the TOXSWA in FOCUS model used for the FOCUS surface water scenarios Pesticides are transported across the water sediment Alterra rapport 586 17 interface by advection upward or downward seepage and by diffusion In the FOCUS surface water scenarios transport across the water sediment interface takes place by diffusion only The simulated water body system is two dimensional and consists of two subsystems a water layer containing suspended solids and macrophytes and a sediment layer whose properties porosity organic matter content and bulk density vary with depth The vertical cross section of the water subsystem has a trapezoidal shape In the water layer subsystem the pesticide concentration is assumed constant in the wetted cross section so it is only a function of the horizontal direction In the sediment subsystem the pesticide concentration is a function of both the horizontal and vertical directions Water and sediment exchange pesticide mass through the wetted perimeter of the water body The mass balance equations for the water and sediment layers are solved with the aid of a generalised finite difference method For the numerical solution the water layer is divided into a number of nodes in the horizontal direction Below each water layer node an array of nodes is defined for the sediment layer see Figure 2 2 Distances between the nod
232. tration in lig phase mg L 1 00E 0 1 00E 0 Macrophytes Coefficient for linear sorption on macrophytes L kg Po 00 Figure 4 26 Tab Sorption of the Substance form with the option Detailed Transformation tab In this tab Figure 4 27 the user has to specify the half lives for transformation in water and sediment d 50w di50wb and the temperature for which these have been determined sedi50wl tedt50wb The temperature dependence of transformation is described with the Arrhenius equation the molar activation energy aeff must be given Edit Substance General _ Sorption Transformation Water Sediment Half life d 100 00 300 00 Measured at C 20 0 20 0 gt Effect of temperature Activation energy J mol 54000 0 Help Close Figure 4 27 The Transformation tab of the Substance Form 4 10 Editing Application schemes The Application scheme form is accessible from the Run Components tab of the Main form The Application scheme form can be accessed by pressing the button behind the pick list of the option field Application scheme in the Main form In the 124 Alterra rapport 586 Application Scheme form information about the applications and the various entry routes into the water body need to be specified 4 10 1 Application scheme form In the upper part of the form a Browse box with various applications schemes is shown Application schemes can be added with
233. ty was measured 273 15 313 15 mesol J mol molar enthalpy of dissolution 1 106 1 106 kdmpdit m3 kg slope sorption isotherm based at dry weight macrophytes Kmp O 10000 distribution coefficient kdomssdit m3 kg slope sorption isotherm based at organic matter content Kom ss 0 10000 distribution coefficient coobkomss kg m3 concentration pesticide at which the Kom of the suspended solids 106 0 1 has been observed Ce ss exftss Freundlich exponent for sorption to suspended solids 0 1 2 180 Alterra rapport 586 kdomwb1 m3 kg slope sorption isotherm based at organic matter content of 0 10000 sediment material Komwb distribution coefficient coobkomwb kg m3 concentration pesticide at which the K_om of the sediment 106 0 1 materialhas been observed Cewb exfrwb Freundlich exponent for sorption to sediment material nw O22 dt50wl d half life for transformation in watet 0 01 1 106 tedt50wl K temperature at which transformation in water was measured 278 15 313 15 aetf J mol molar Arrhenius activation energy for transformation rate also Os 09 used for sediment dt50wb d half life transformation sediment 0 01 1 106 tedt50wb K temperature at which transformation in sediment was measured 278 15 313 15 kdfw mm d diffusion coefficient pesticide in water Dw 0 200 Alterra rapport 586 181 Appendix 3 Read me TOXSWA text file for installatio
234. ults stored in hdr are reused The contents of the output files are described in more detail in the Sections 3 3 4 to 3 3 10 The hdr is not described because this file is a binary intermediate file used by TOXSWA Some of the output files were too large to show completely in this 24 Alterra rapport 586 manual If results are given for e g many time steps only some first time steps are shown followed by dots The header and some general properties of the output files are extensively discussed in the description of the sum file Section 3 3 4 1 Table 3 6 Overview of output files General ech Echo of all TOXSWA input err Warning and error messages sum Summary of input and output Hydrology hyb Water balance terms as a function of time Representative channel rel Time dependent characteristics of the representative channel including boundary condition for watercourse rc2 Representative channel backwater curves and boundary condition watercourse at selected times Concentrations cwa Concentrations as a function of time for all segments of the water layer csl Concentration as a function of time in the sediment subsystem under selected segment of the water layer Drainage Runoff mfl Echo of pesticide fluxes entered via drainage or runoff as a function of time mass flux of input by drainage as a function of time Mass balances mwa Mass balance of the entire water layer as a function of time
235. unning at the same time on your PC because they both use the same database 4 3 Generating FOCUS Step 3 runs TOXSWA supports scenario calculations set up by the FOrum for the Co ordination of pesticide fate models and their USe FOCUS Generating FOCUS projects and runs can only be done in SWASH Van den Berg e al 2005 SWASH only prepares standard Step 3 FOCUS runs These can be executed via the TOXSWA Graphical User Interface In FOCUS Step 3 runs all selections and parameters have been locked except some options for output For the preparation of FOCUS Step 4 runs with TOXSWA a FOCUS Step 3 project prepared by SWASH can be copied in the TOXSWA GUI Then it becomes a FOCUS Step 4 project and some of the input values can be changed 4 4 Preparations FOCUS runs are organized in so called projects specific combinations of a substance a crop and an application pattern Therefore a project contains a series of runs that need to be done to obtain exposure concentrations in the relevant FOCUS Sutface Water Scenarios Before the TOXSWA model can be run TOXSWA needs project information defined in SWASH and a m2t or p2t output file from MACRO or PRZM 92 Alterra rapport 586 respectively Guidance is given in the SWASH User s guide Van den Berg et al 2005 and in the MACRO and PRZM manuals Appendices J and K of FOCUS 2001 Therefore before being able to run TOXSWA for FOCUS scenarios SWASH MACRO and PRZM need to be installed
236. unt for exchange between water layer and sediment It should be smaller than the water depth in the water body Therefore when a variable flow is simulated ah should be smaller than the lowest water level occurring in the period simulated The parameter wdbf is also used to indicate that a water sediment study should be simulated When wdhfl is negative TOXSWA simulates only the vertical column of sediment below the water layer which equals the system as it is in a water sediment test system When wdhfl is zero or positive a trapezium shaped sediment system is simulated see Adriaanse 1996 The water depth in the water body mdb has to be entered in Section 3 of the txw file It is needed when a constant flow is simulated It is a dummy value for variable flow simulations Furthermore the concentration of the suspended solids its organic matter contents and the dry weight of the macrophyte biomass per m water body bottom have to be entered For each segment nxnodit nxnofb nxnoeb the initial concentration in the water layer castwl C has to be entered This is the total concentration so including mass adsorbed to suspended solids Air The concentration in the air is used to determine the concentration gradient between the water phase and the atmosphere in order to calculate the volatilisation through the water surface In the absence of data we generally select the concentration in the ait to be zero Sediment The thic
237. ure 4 31 The graph at the bottom gives the mass flux of the pesticide Alterra rapport 586 129 entering the water body with drainage water or runoff water as a function of time Incoming flow and mass flux for pesticide Compare al Water drained or runoff riperian land Water flux mmh AN MIL 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 Day number since 01 Jan 1986 Compare Q r Substance drained or runoff riperian land Substance flux mg nrh NM EEN 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 Day number since 01 Jan 1986 Help Print Close Figure 4 31 Graph Incoming flow and mass flux for pesticide 2 Water flow and water level in water body The water flow out of the water body is given as a function of time in the top graph of the screen Figure 4 32 The graph at the bottom gives the water level in the water body as a function of time 130 Alterra rapport 586 Water flow and water level Compare al Water flow out of water body 50 Water flow nh No q E o o o h o PMI RS 0 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 Day number since 01 Jan 1986 Compare al Water level in water body Water depth m 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 Day number
238. ure field studies may become important During this stage the model should preferably be used in combination with on site measured data Then the field situation and the substance need to be parameterized Sometimes a water sediment study needs to be simulated in order to determine the individual DT50 values for the water layer and the sediment In that case the water Alterra rapport 586 147 sediment system and the substance have to be parameterized see example in Chapter 6 The parameters are discussed in the same order as presented in the txw file The file is divided in five sections Each of the sections is discussed separately in the next five report sections Only those parameters are discussed for which more relevant information exists than what is described in Section 3 3 These parameters are indicated in bold in the overview of the parameters in the txw file given as Table Al in Appendix 2 Note that some parameterization options cannot be entered via the GUI see e g Section 5 3 esedit If these options are needed then the txw file has to be changed outside the GUI and the run should be performed outside the GUI as well see Section 3 1 for guidance 5 2 Run characteristics The run characteristics concern general information names and paths of input files simulation settings and output options Only for the calculation time step for sediment some guidance is given deltwb calculation time step for sediment
239. uspended solids distribution coefficient kdomwb1 slope sorption isotherm based at organic matter content of sediment material K_om wb distribution coefficient The sorption coefficient for soil sediment or suspended solids based on the organic matter content K can be derived from the sorption coefficient based on the organic carbon content K by dividing the K by a factor 1 724 or 1 97 see explanation under raomwh mass ratio organic matter of dry sediment material in Section 5 3 When no sorption coefficient is available for suspended solids or sediment organic matter the sorption coefficient based on soil organic matter studies can be used A compilation of 243 K values has been reported by Linders ef al 1994 dt50w half life for transformation in water tedt50wl temperature at which transformation in water was measured dt50wb half life transformation sediment tedt50wb temperature at which transformation in sediment was measured When simulations are compared with field measurements the transformation DT50s should be determined with material from the field site in a water sediment study according to OECD guideline 308 2001 TOXSWA needs individual DT50 values characterising transformation and not decline in water and in sediment layers A Dutch working group studied how to determine the individual DT50 values from water sediment studies Adriaanse ef al 2002 They recommended that the transformation DT50 values
240. water body and on spray drift entries Via the Initial conditions for pesticide button the initial concentrations in the water layer and in the sediment are specified Alterra rapport 586 105 4 7 5 Lateral Entries tab At the Lateral Entries tab it can be indicated if lateral entries have to be simulated or not The file name including its path of the file containing the lateral fluxes needs to be specified Figure 4 8 The small button at the end of this line allows to user to browse through his maps in order to locate the correct lateral entry route file In the check box Simulate drainage or runoff entries the user has to cross mark if lateral entries have to be simulated or not When lateral entries are simulated the file with lateral fluxes needs to be selected For FOCUS Step 3 scenarios the MACRO model provides the entries via drainpipes and the PRZM model the entries via runoff and erosion The MACRO m2t output files lists water and pesticide fluxes leaving drainpipes on an hourly basis The PRZM p2t output files lists water and pesticide runoff fluxes plus additional columns with eroded soil pesticide mass adsorbed to eroded soil and water fluxes infiltrating all at an hourly basis In the future the Alterra model PEARL Leistra ef al 2001 will be coupled to the TOXSWA model as well At present coupling PEARL output files for drainage or runoff is not yet possible Not simulating lateral entries means that ther
241. water sediment studies Wageningen Alterra Green World Research Alterra rapport 023 Adriaanse P I M M S ter Horst W H J Beltman and F van den Berg 2003 FOCUS surface water scenarios influence of scenario assumptions on predicted peak exposures In Pesticide in air plant soil amp water system 2003 Del Re A A M L Padovani amp M Trevisan Eds Proceedings XII Symposium Pesticide Chemistry June 4 6 Piacenza Itali pp 487 497 Beltman W H J and P I Adriaanse 1999a User s manual TOXSWA 1 2 Simulation of pesticide fate in small surface waters Technical Document 54 DLO Winand Staring Centre Wageningen Beltman W H J and P I Adriaanse 1999b Proposed standard scenarios for a surface water model in the Dutch authorization procedure of pesticide Method to define standard sceanrios determining exposrue concentrations simulated by the TOXSWA model Report 161 DLO Winand Staring Centre Wageningen Bloemendaal F H J L Th C M Brock en C den Hartog 1988 Structuur van waterplanten en vegetaties In F H J L Bloemendaal en J G M Roelofs Eds Waterplanten en waterkwaliteit Stichting Uitgeverij Koninklijke Nederlandse Historische Vereniging Utrecht p 11 25 Boesten J J T I 1986 Behaviour of herbicides in soil Simulation and experimental assessment Doctoral thesis Institute for Pesticide Research Wageningen Boesten J J T I 2000 Modeler subjectivity in estimating pesticide parameters for
242. watercourse over its entire length and is used in the water balance calculations TOXSWA s watercourse is defined by the water layer parameters of Section 2 plus the last four parameters of Section 3 the base flow into the watercourse Obasewe the size of the upstream area delivering drainage or runoff fluxes arupwe and the contributing margin of the treated neighbouring plot delivering drainage or runoff fluxes kplot For simulations with runoff entries also the contributing margin for erosion fluxes of the treated neighbouring plot ker is necessary 3 3 1 4 Section 4 Pesticide loading Section 4 contains parameters concerning substance loadings into the water body Table 3 4 Parameters for the entry routes spray drift and drainage or runoff need to be filled in If drainage or runoff is to be simulated the path and name of the file with drainage or runoff fluxes rodr needs to be indicated in Section 1 of the txw file In 36 Alterra rapport 586 this section parameters characterizing the upstream catchment have to be specified for simulation of pesticide inflow across the upstream boundary of the water body considered Table 3 4 Parameters in Section 4 of the txw file parameter unit Description Simulation options op_ldsd spray drift user specified 0 no 1 yes op_lddr drainage model output 0 no 1 yes op_ldro runoff model output 0 no 1 yes Spray drift ntldsd number of loadings chatld
243. way Alterra rapport 586 193 Figure A5 1 shows that at high porosities the tortuosity factors calculated with Boudreau s equation are closest to Sweerts tortuosity factors Leistra s method describes the tortuosity factors in the middle range better than Boudreau and also better than Nye and Tinker Nye and Tinker s equation overestimates the tortuosity factor over the whole range Boudreau s equation is recommended for estimation of the tortuosity factor for sediments because it fits better to the tortuosity factors at high porosities and because it is based on measurements for sediments instead of soils References Boudreau P B 1996 The diffusive tortuosity of fine grained unlithified sediments Geochimica et Cosmochimica Acta 60 3139 3142 Leistra M 1978 Computed redistribution of pesticides in the root zone of an arable crop Plant Soil 49 569 580 Nye P H and P B Tinker 1977 Solute movement in the soil root system University of California Press Berkeley and Los Angeles Sweerts J P R A C A Kelly J M W Rudd R Hesslein T E Cappenberg 1991 Similarity of whole sediment molecular diffusion coefficients in freshwater sediments of low and high porosity Limno Eceanogr 36 335 342 194 Alterra rapport 586 Appendix 6 The txw input file for the example water sediment study The txw file shown that is prepared by the TOXSWA GUI for running the example water sediment study discussed in Chapt
244. well as in space i e with distance in the water body The water level in the water body varies in time but it is assumed constant over the length of the water body The TOXSWA model does not simulate the drainage or runoff erosion processes itself but uses the fluxes calculated by other models as entries into the water body system of TOXSWA For this purpose the MACRO in FOCUS model for drainage and the PRZM in FOCUS model for runoff erosion create output files that list the water and mass fluxes as a function of time on an hourly basis TOXSWA uses these output files as input to calculate the hydrologic and pesticide behaviour in the appropriate water body systems Alterra rapport 586 19 ware FOCUS pond scenario age or around pond Pond outflow Figure 2 4 The pond as defined in the FOCUS Surface Water Scenarios The variation of the water level in time has been calculated in two ways For a pond Figure 2 4 outflow is assumed to occur across a weir and the water level in the pond is derived with the aid of a classical Q h relation for a broad crested weir Minist re de la Coop ration 1984 In the case of a watercourse Figures 2 5 and 2 6 the following approach has been taken the watercourse is part of a channel representative channel representing the average conditions in the catchment considered with respect to channel width bottom slope and bottom roughness Responding to the discharge coming out of the u
245. wished distances if these were selected at the Output Control tab of the Main form Note that for the water layer the concentration dissolved in the water layer is shown and for the sediment the total concentration dissolved plus adsorbed in the sediment Concentration of pesticide in water f x and sediment f z Concentration in water layer f x T T T Y 01 Jan 1986 00 00 00 0 000 Y 01 Dec 1986 00 00 00 334 000 Y 15 Dec 1986 00 00 00 348 000 Y 30 Dec 1986 18 00 00 363 750 Y 01 May 1987 00 00 00 485 000 Conc dissolved g L 30 40 50 60 70 co ter BON M Use right mouse button in legend to select new time Sed 5 v Compare al Sed 55 y al Sed 95 y al Conc in sediment f z y Conc in sediment f z Conc in sediment f z Total conc ug dm Total conc ug dm Total conc ug dm 15 20 40 60 100 Help B Print Close Figure 4 35 Graph Concentration of pesticide in water and sediment as a function of distance Alterra rapport 586 133 Select time step distance 30 11 1986 15 00 00 30 11 1986 16 00 00 30 11 1986 17 00 00 30 11 1986 18 00 00 30 11 1986 19 00 00 30 11 1986 20 00 00 30 11 1986 21 00 00 30 11 1986 22 00 00 30 11 1986 23 00 00 01 12 1986 01 12 1986 01 00 00 01 12 1986 02 00 00 v Y X Cancel Figure 4 36 Select time step box of the graph Concentration of pesticide in water and sediment as a function of 6
246. xing takes place along with advection flow in porous media Van Ommen ef al 1989 indicated that the dispersion length for solute movement in field soils under natural conditions generally varies between 3 and 100 mm Without advection flow so no seepage flux through the sediment layer the dispersion length is a dummy value 5 4 Hydrology of water bodies When the water body is a pond the hydrology concerns the characteristics of a pond system When the water body is a watercourse the hydrology of water bodies concerns the characteristics of the watercourse including its contributing representative channel For both types of water bodies the description of the hydrology includes parameters describing the catchments The parameterization of the hydrology of a scenario is complex because it is partly also calibration using simulated drainage or runoff water fluxes The parameterization of the FOCUS scenarios reported in Sections 4 3 3 and 4 4 3 of FOCUS 2001 may serve as an example 5 5 Pesticide loadings The pesticide loadings concern loadings via the entry routes spray drift drainage and runoff midsd pesticide mass per square metre deposited onto the water surface The mass deposited per square metre area of water g m from e g a spray drift event can be calculated by multiplying the field dose g m with the drift fraction Note that for this calculation the doses in e g kg ha and the drift percentage in percentage have
247. y 1992 12 00 0 0 0 0 0 00081 0 00004 LAMA OZD 910110 0 0 OMO 0 00076 0 00007 01 May 1992 12 00 0 02 0 05 0 00077 0 00005 Na 19921221010 0 0 eN 0 00080 0 00004 Q1L Ia 1992 12 200 0 0 0 02 0 00073 0 00007 OL Shun 1992129010 0 02 0 05 0 00077 0 00005 SO dhr IED 200 0 0 0 0 0 00074 0 00005 Ova DO 2 210100 0 01 0 02 0 00074 0 00005 SOU LOE D 3 00 0 02 0 05 0 00072 0 00005 SO edi IED 800 0 0 0 0 0 00076 0 00006 SO TCL 1 99212 8 00 USO 0 02 0 00078 0 00006 VO DOD 2 OO 0 02 005 0 00078 0 00005 Figure 4 49 Example of the data file with measurements of concentrations in the sediment 144 Alterra rapport 586 4 12 5 Plotting graphs showing differences between simulated and measured concentrations in water and in sediment An additional feature of the graphs created for comparing simulated data with experimental data in time is the option to create graphs showing the differences between simulated and measured concentrations in water and in sediment as a function of time Figure 4 50 This can be done by pressing the Residues button shown at the lower left hand side in Figure 4 46 The Residues option is only available for the graphs showing a comparison between simulated and measured data of the concentration in water and sediment in time Differences between measured and calculated concentration in water and sediment i 7 M Difference between measured and calculated concentration in water layer M E Total 10 IV Dissolved
248. y mass balance of the water layer and a monthly mass balance of the selected top layer of the sediment layer are shown These three water and mass balances tables show the numbers with a limited number of decimals for the best readability For exact values the tables are also given in the mob file with exponential numbers The most important numbers are the maximum exposure concentrations in the water layer and in the top layer of the sediment the Predicted Environmental Concentrations PECs and the Time Weighted Average Exposure Concentrations TWAECs in the last segment downstream in the water body 44 Alterra rapport 586 X EEEH EEEH Ht tt EEEE HH tt HHH FOCUS_TOXSWA v2 2 1 ES Ht tt tt HE tt Ht HH tt HH TOXSWA v2 1 2 F2 a tt tt Ht ttt HEER oft HEE PE HE 10 Nov 2005 i tt tt tH tt HE te PERE EH HEHEHEH i tt EEEH tt tt HE tt Ht HH HH Copyright Alterra Compiled with VisualFortran v6 6 0 RO Ox ab E S 11 st 2 im eas al igh Sl ae EAS Uh Ne Guten 3 i aa ey a a my a EE EN EE EEE EE le ae EEE Alterra Wageningen UR http www alterra wur nl PO Box 47 6700 AA Wageningen The Netherlands TOXSWA simulation 23 Jan 2006 14 44 22 Working Directory C SwashProjects project_H_sw toxswa RTD 00002d pa File name 00002d_pa sum Input files and selected output files 00002d_pa txw Run warnings and errors 00002d_pa err Summary of dnput and eur PUE 00002d_pa sum Project project_H_sw
249. yers form can be accessed by pressing the button behind the pick list of the option field Water layer in the Scenarios form In the Water layers form Figure 4 14 a water layer has to be defined by specifying a code and a name and values can be attributed to the different parameters defining the water layer A new water layer can be added with the button of the navigator or an existing water layer can be copied Alterra rapport 586 111 TOXSWA Water layers Browse Water layers A focus_ditch Ditch Code Pond A focus_stream Stream Name VP_diteh gt Wredep_ditch YP_ditch Copy H pl lt Water layer Dimensions Length water layer m 100 00 Segments Water depth m 0 500 Bottom width m 0 50 Side slope hor ver 1 00000 FT Wat diment st Depth def perimeter m 0 100 Macrophytes Dry weight ger 0 00 Suspended solids Conc suspended solids mg L 15 00 Bi Com Mass ratio organic matter Figure 4 14 The Water layers form At the Water layers form the user can e Change the dimensions i e length xd water depth db bottom width wibot and side slope ss of the water body In constant flow simulations the water depth is used to simulate the water flow In all simulations the water depth is used to convert spray drift loadings to concentrations see Section 4 9 2 The depth defining perimeter wdbfl indicates the water depth that defines th
250. your runs into projects Figure 4 5 A project is a set of runs mostly for one substance and its metabolites when present with one ot several crops Each run is characterised by a scenario substance and application scheme Entirely new projects can be created with the aid of the FOCUS wizard in SWASH or the user defined wizard in SWASH In the TOXSWA GUI existing projects can 98 Alterra rapport 586 be copied and altered or a new project can be created with the button After copying a project or creating a new project in the TOXSWA GUI it receives the specification False in the SWASH project column the fourth and last column of the upper part of the screen In False SWASH projects the user can change most of the inputs that are locked in True SWASH projects In True SWASH projects all scenario input is locked because the run represents a standard Step 3 FOCUS scenario Pesticide properties and application pattern input is locked as well because they have been defined in SWASH Therefore if the project was created in SWASH the fourth column shows True and only some simulation and output options can be changed The first column Name gives the name of the project entered in SWASH already the second column Description allows for a short description of the project and the third column Last modified specifies the time and date the project was modified for the last time In this upper par

rapport 586

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