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RIVM report 716601008 - Home of PEARL and GeoPEARL

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1. For each substance to be simulated the user must specify a substance specific section Each of these sections starts with substance name and ends with end_substance name where substance_name should be replaced with the actual name of the substance Parameters in the RIVM report 716601008 page 43 of 82 specific sections overrule parameters in the default section The following parameters must always be specified as default values are not given Table FraPrtDau Specifies the parent daughter relationships See page 66 of FOCUS PEARL manual If left empty the model assumes that there are no relevant daughter products OptCofFre Method to describe the Freundlich sorption coefficient page 66 of FOCUS PEARL manual The Freundlich sorption coefficient can be specified pH dependent or pH independent If OptCofFre is set to pH independent KomEql must be specified if set to pH dependent KomEqlAcid KomEglBase and pKa must be given The Freundlich sorption coefficient can also be made dependent on other soil parameters option GeoPEARL In this case the variables KFEql0 KomEql KSandEql KSiltEgl KClayEgl and KOxEql must be specified additionally OptDT50 Method to describe the half life of transformation Can be set to Input or Cal culate In the first case the reference half life that is specified by the user applies to all plots included in the simulations In the second case pedotransfer functions are applied to calculate soil
2. vp p PP P Lp where Rasp kg m d is the areic mass rate of dissipation of pesticide at the plant surface ky p d is rate coefficient for volatilization kop d is rate coefficient for penetration kip d is rate coefficient for transformation at the plant surface and Ap kg m is areic mass of pesticide at the crop canopy Alternatively the user can introduce an overall dissipation rate coefficient kasp d for the three processes The areic mass rate of pesticide wash off is taken proportional to the canopy drip flux R w SC P P A 25 w p where Rp kg m d is the areic mass rate of pesticide wash off from the crop canopy Wp m is an empirical wash off factor P m d is precipitation and P m d is intercepted water The following mass balance applies for the crop canopy aA t z Rs Ruy 26 Mass balance equations Pesticide can be found in the equilibrium domain and in the non equilibrium domain of the soil system so two mass balances apply c oJ oJ xt Rie RER 27 Z Z and c ars R 28 Here c kg m is the pesticide concentration in the equilibrium domain of the soil system c kg m is the pesticide concentration in the non equilibrium domain of the soil system R kg m d is the volumic mass rate of pesticide sorption J kg m d is the mass flux of pesticide in the liquid phase Jp kg m d is the mass
3. fied in the SchematisationDir record the position of the output files in the OutputDir record and temporary files are stored in the PearlDir Warning if files are stored in a directory with spaces in its name use relative paths only otherwise GeoPEARL will not find these files Directory structure The input directory is obtained from the model call Bin BinDir Binary directory Schematisation SchematisationDir Spatial schematisation Output OutputDir Output directory Tmp PearlDir Tmp directory for PEARL runs The following files can be put at any place PlotListFile file with plots to be simulated page 47 CompoundProperties file with substance properties page 49 ApplicationSchemes file with application schemes page 49 OutputControl output control file page 50 Therefore the full path of these four files should be given at any time The path name can however be relative to the position of the geo file for example examples example cmp 3 6 2 Controlling the simulations GeoPEARL has various options to control the simulation step 6b of Getting Started IOMode Screen control If set to TOMode StdOut screen output is limited and can be redirected to stdout if wanted If set to TOMode Full screen output is complete but results cannot be captured to a text file PriorityClass Priority class for PEARL call Can be set to Low Normal or High If GeoPEARL runs on a computer
4. carried out under optimum moisture conditions OptCntLiqTra As shown in eqn 61 opti mum moisture conditions are conditions wetter than field capacity i e wetter than pF 2 If the incubation experiments have been carried out at moisture contents dryer than field capac ity i e dryer than pF 2 the optimum conditions checkbox must not be marked and the user must additionally specify the moisture content during incubation CntLiqTraRef The tem perature dependence of transformation is described with eqn 60 the molar activation energy must be given MolEntTra The effect of soil water on the rate coefficient is described with eqn 61 this equation requires an exponent ExpLiqTra See section 3 2 9 of FOCUS PEARL manual for further information on transformation parameters Example input for a substance with a spatially distributed half life Suppose you have a substance for which the transformation is dependent on soil organic matter with a half life pF 2 top soil 20 C of 60 days in a soil with an organic matter fraction of 0 05 and a regression coefficient of 500 days Furthermore the range of the organic matter fractions in the meas urements is between 0 005 and 0 10 corresponding with a range of half lives from 37 5 days to 85 days Suppose you want to use this range to define a minimum and maximum half life In this case you enter 60 days for the reference half life DT 50 select calculate 37 5 days fo
5. m d is calculated from the volumic root length Loo Z m m at that depth as a fraction of the integrated volumic root length Tiktak and Bouten 1992 RIVM report 716601008 page 67 of 82 RDD 7 a1 J Loo z dz Notice that SWAP does not account for preferential uptake from layers with high relative water saturation Herkelrath et al 1977 Tiktak and Bouten 1992 The actual root water extraction rate R r is calculated using a reduction function Figure 29 Feddes et al 1978 R 12 0 R 12 12 20 hy O h O h h pressure head m Figure 29 Reduction coefficient for root water uptake a as a function of soil water pressure head Evaporation of water from the soil surface To calculate the actual soil evaporation rate the potential soil evaporation rate is first limited to the maximum flux calculated from the Darcy equation for the top nodal point Emax The soil evaporation flux is additionally reduced according to the method proposed by Boesten and Stroosnijder 1986 who calculated the maximum actual soil evaporation a m during a drying cycle E E if XE lt p EE BJ2ZE if TE er where B m is an empirical parameter 13 Interception of rainfall Interception of rainfall by the crop canopy is calculated from the empirical equation Braden 1985 P aLAl 14 1 4 SC P aLAl where P m m d is intercepted precipitation P m m d is precipitat
6. m 4K m K m K F eq 0 om om eq sand sand eq silt silt eq clay clay eq C ox K 45 F eq SOX eq where Kreg m kg is the overall Freundlich sorption coefficient KrF eq 0 m kg is the Freundlich equilibrium sorption coefficient for sorption not attributable to a particular soil parameter Mom kg kg is the mass fraction of organic matter Kom eq m kg is the coeffi cient for sorption on organic matter Msand Msit and Melay kg kg are the mass fractions of sand silt and clay Ksandeq Ksineg and Kelay eq m kg are the coefficients for sorption on sand silt and clay respectively cso mmol kg is the soil content of sesqui oxides and Kens m mmol is the coefficient for sorption on sesqui oxides Notice that the textural distribu tion must be expressed as parts of the mineral soils so that the sum of sand silt and clay is equal to one The assumption is that the sorption is linearly related to the content of each soil parameter If the content or fraction of a specific soil characteristic is zero then there is no contribution If for example only sorption onto sand is to be simulated equation 45 reduces to Kemer z M sand Konie 46 Pesticide sorption to the non equilibrium phase is described by a first order rate equation N c R Poka Sr neK F egCLr X ne 47 Er where R kg m d is rate of sorption in the non equilibrium domain of the soil system pp kg m is the
7. 22 373 387 4 The new decision tree on leaching Van der Linden A M A J J T l Boesten A A Cornelese R Kruijne M Leistra J B H J Linders J W Pol A Tiktak and A J Verschoor 2004 New decision tree for the evaluation of pesticide leaching from soil RIVM report 601450019 RIVM Bilthoven the Netherlands RIVM report 716601008 page 17 of 82 2 User s guide of the GeoPEARL User Interface This chapter gives an overview of the GeoPEARL user interface which is an integrated envi ronment for data storage and data retrieval model control and viewing the output data Fig ure 1 The user communicates with the GeoPEARL modeling system through the graphical user interface This interface is linked with a relational database It also generates the input files for the GeoPEARL executable GeoPEARL in its turn calls the PEARL model It does so for each unique combination of soil type climate district etc These unique combinations are called plots The output of GeoPEARL is transferred back to the user interface from where it is stored in the database GeoPearl database User Interface Figure 1 Overview of the GeoPEARL modeling system With the user interface the following tasks can be carried out organize and edit substance and application data access the standardized model runs which should be used for the Dutch pesticide registra tion procedure control the model view maps
8. Molar enthalpy of vaporization 200 200 20 0 TemRefSlb C measured at 0 40 27 0 olEntSlb kJ mol 1 Molar enthalpy of dissolution 200 200 0 0 olEntSor kJ mol 1 Molar enthalpy of sorption 100 100 20 0 TemRefSor C measured at 0 40 Uptake parameters 0 5 FacUpt Coefficient for uptake by plant 0 10 eo Sa eS See ee sn ee as Se ee ee nd Se ee Diffusion of solute in liquid and gas phases 4 3d 5 CofDifWatRef m2 d 1 Diff coeff in water 10e 5 3e 4 0 43 CofDifAirRef m2 d 1 Diff coeff in air 0 1 3 20 50 TemRefDif C measured at 10 30 Transformation rate parameters 20 0 TemRefTra C Temperature at which DT50 is measured 5 30 0 70 ExpLiqTra Exponent for the effect of liquid 0 5 OptimumConditions OptCntLigTraRef OptimumConditions or NonOptimumConditions 1 0 CntLiqTraRef kg kg 1 Liq content at which DT50 is measured 0 1 54 0 olEntTra kJ mol 1 olar activation energy 0 200 en ne Wee a hugh ei Be ed ei inet Sn ke i AE ei He el ae EE i es et We ache eg ei sl ae at eni en SB We or at ei er es a Wet ei Eat ek ea a Wie re edi teh eo ae de a Sorption parameters 0 9 ExpFre Freundlich sorption exponent 0 1 1 3 TAO ConLiqRef mg L 1 Reference conc in liquid phase 0 1 0 0 pHCorrection pH correction 2 1 Non equilibrium sorption 0 00 CofDesRat d 1 Desorption rate coefficient 0 0 5 0 5 FacSorNeqEql CofFreNeq CofFreEql 0
9. Screen for viewing output for individual crops within an assessment 2 12 4 The viewer GeoPEARL uses the graphical program XYWIN Van Heerden and Tiktak 1994 for all graphs and maps Functions that are available within XY WIN are Zooming click the left mouse button to select a rectangle Warning this function is only intended to analyze the map it should not be used to read the leaching concentration in your backyard Statistics you can use XY WIN to create frequency diagrams of maps Warning if used for maps of the leaching concentration this function may give different results than the RIVM report 716601008 page 37 of 82 cumulative frequency distribution generated by GeoPEARL itself The reason is that blanks are threated in another way Printing Graphs can be printed by pressing CNTRL P or by selecting print from the file menu Export of graphics files Use the File menu select Output You can specify different out put formats like jpg png tiff and emf If you want to incorporate a graph in a word proc essor like Word we advise to use png format 2 13 Archiving your assessment The GeoPEARL User Interface has the possibility to export the information that is required to run the assessment to ASCII files The structure of these files is described in chapter 3 This functionality can be accessed by selected Archive from the Assessment submenu at the main screen or press Alt A A The obtaine
10. a spatial criterion the long term average concentration of a pesticide or its relevant metabolites should not exceed the drinking water limit across at least 90 of the area of use of the pesticide To scientifically test the above spatial criterion a spatially distributed pesti cide leaching model referred to as GeoPEARL has been developed GeoPEARL calculates the leaching of a pesticide and its metabolites to the uppermost groundwater for the area of use The most important result for the Dutch pesticide registration procedure is the 90 areal percentile of the median leaching concentration over a period of 20 years This report gives a guidance on the use of GeoPEARL with special emphasis on the Dutch registration proce dure It should be used in combination with RIVM report 601450019 which describes the new decision tree and the role of GeoPEARL in this new decision tree Background informa tion on GeoPEARL including theory can be found in the earlier RIVM report 716601007 GeoPEARL consists of a computation kernel and a Graphical User Interface The model can be used with or without the Graphical User Interface The manual describes both routes For standard applications both model versions will give the same results The first part of the manual gives a stepwise description of the Graphical User Interface The Graphical User Interface is set up to facilitate the Dutch registration procedure summary re ports generated by the Graph
11. be done by the user in a spreadsheet database management system DBMS or a Geographical Informa tion System GIS Notice that the GeoPEARL User Interface generates all these model out puts automatically The following actions could be followed to generate the wanted results see also figure 22 First select the wanted model output from one of the output files This can be done easily as the output files are record oriented To select the 50 percentile of the leaching concen tration from the foc file for example simply select those records where column 5 has value 50 The actual selection can be done in a DBMS or spreadsheet If you have chosen to run the model for a limited number of zones with OptPlot List Automatic results in the output files are given per zone The dominant plot number is then listed in the first column We suggest expanding these files to the full range of plots 1 e list the results of all plots instead of a single plot per zone This can be done with the information in the crf file which contains the link between the zone number and the plot numbers To do so import the required output files in a spreadsheet or DBMS and perform a lookup operation with the dominant plot as the key variable figure 22 This step may be skipped if you have run GeoPEARL for all plots option OptPlotList Manual page 58 of 82 RIVM report 716601008 erf file foc file CropArea 1 A ConLea_3_10 CropArea_2 Be ConLea_3
12. be simulated EE RE EE Fe ES a NE ER E ea en EE ee ee ee ae Serene Senne If OptPlotList Automatic holland CropAreaDatabase Files with crop area per UC unc file 0 01 ThresholdArea ha Threshold area 0 250 NumZone Number of zones 100 NumPlo Rank OptPlotSelection Option for plot selection Neighbour Rank Crops for which a registration is submitted The model takes the sum of the crop areas of the individual crops Make sure that the name is exactly equal to one of the names in the crop area database table Crops 1 Potatoes end table SWAP missers file must be put in schematisation directory Swap207e SwapMisFile File with SWAP missers RIVM report 716601008 page 49 of 82 3 6 4 Specification of compounds and applications to be included in the simulation The final stage of editing consists of specifying the compounds and applications schemes that should be included in the simulations There are three parameters that need to be edited CompoundProperties Full name including directory name of the file with substances properties This file must have extension emp An example can be found in the examples directory ApplicationSchemes Full name of the file with application schemes This file must have extension app An example can be found in the examples directory Table Runs The first column of this table contains the substance name and the second column contains the application scheme t
13. contains a description of the command line version of GeoPEARL The command line version of GeoPEARL is more flexible but is also more difficult to use Reasons to use the command line version of GeoPEARL may be implementation of GeoPEARL on a grid computing system import of a different spatial schematization so that the model can be used for other coun tries The command line version of GeoPEARL should only be used by experienced modelers In contrast to the GUI version the user can change all model inputs and this can more easily give rise to errors Section 4 and section 5 contain updates of the theory page 16 of 82 RIVM report 716601008 Background documentation to be used in combination with the manual 1 The FOCUS PEARL Manual Tiktak A F van den Berg J J T Boesten M Leistra A M A van der Linden and D van Kraalingen 2000 Pesticide Emission Assessment at Regional and Local Scales User Manual of FOCUS PEARL version 1 1 1 RIVM report 711401008 RIVM Bilthoven the Netherlands 2 The GeoPEARL background document Tiktak A A M A van der Linden and J J T I Boesten 2003 The GeoPEARL model Model description applications and manual RIVM report 716601007 RIVM Bilthoven the Netherlands 3 Scientific publication on GeoPEARL Tiktak A D S de Nie A M A van der Linden and R Krui jne 2002 Modelling the leaching and drainage of pesticides in the Netherlands The GeoPEARL model Agronomie
14. correct the problem s This problem is usually caused by errors in the substance or applications files The best remedy to avoid errors in these files is to make copies of existing substances or application schemes and to make the changes in these copies The program starts but does not actually perform any simulations This is usually caused by the fact that OptAppend is set to Yes Check if it is really necessary to make the simu lations Is all output already available If not set OptAppend to No or give the geo file another name to avoid conflicts with existing files 3 8 Output files GeoPEARL writes its results to a total number of nine output files which are all stored in the output directory The following files are generated see also figure 18 Files with extension wsb These files contain the annual and long term average water bal ances of the soil profile Files with extension wfb These files contain the annual and long term average water bal ances of the FOCUS layer The thickness of the FOCUS layer is set by the variable ZFoc page 52 of 82 RIVM report 716601008 in the output control section of the geo file Following recommendations of the FOCUS working group FOCUS 2000 its default value is 1 m Files with extension esb These files contain the annual and long term average substance balances of the soil profile Files with extension cfb These files contain the annual and long term average substance balances of the
15. dependent pH independent GeoPEARL Input OptDT50 C Option for DT50 Input lCalculate page 44 of 82 RIVM report 716601008 200 0 MolMas C g mol 1 Molar mass 10 10000 20 0 DT50Ref C d Half life time 1 1e6 100 0 KomEql C L kg 1 Coef eql sorption on org matter 0 1e9 1 d 10 PreVapRef C Pa Saturated vapour pressure 0 2e5 50 0 SlbWatRef C mg L 1 Solubility in water le 9 1le6 1 d6 DT50DspCrp C d Dissipation half life on canopy 1 1e6 1 d 4 FacWasCrp C m 1 Wash off factor le 6 0 1 pH independent OptCofFre MET C pH dependent pH independent GeoPEARL Input OptDT50 MET Option for DT50 Input lCalculate 150 0 MolMas ME g mol 1 Molar mass 10 10000 100 0 DT50Ref ME d Half life time 1 1e6 30 0 KomEql MET L kg 1 Coef eql sorption on org matter 0 1e9 1 d 10 PreVapRef MET C Pa Saturated vapour pressure 0 2e5 50 0 SlbWatRef MET C mg L 1 Solubility in water le 9 1le6 1 d6 DT5ODspCrp MET C d Dissipation half life on canopy 1 1le6 1 d 4 FacWasCrp MET C m 1 Wash off factor le 6 0 1 end_CMPC If the sorption coefficient is pH dependent the following parameters must be specified ex ample substance E 500 0 25 0 4 5 KomEglAcid E KomEqlBase E L pKa E kg 1 kg 1 Coef for Coef for Coef for eql sorption on om acid 0 1e9 eql sorption on om base 0 1e9 influence of pH on sorp
16. dependent half life values If this option is chosen additional parameters need to be specified see page 44 DT50Ref Half life under reference conditions KomEgl The sorption coefficient on organic matter If OptCofFre is set to pH dependent two Kom values must be specified i e one for acidic conditions KomEqlAcid and one for basic conditions KomEq Base In addition the negative logarithm of the dissociation constant pKa is required For further details read the FOCUS PEARL manual PreVapRef The saturated vapour pressure at reference temperature Notice that the de fault reference temperature in GeoPEARL is 20 C if another temperature is needed specify this temperature in the substance specific section SlbWatRef The solubility in water at reference temperature The default reference tem perature in GeoPEARL is 20 C if another temperature is needed specify this tempera ture in the substance specific section DT50DspCrp The dissipation half life at the crop canopy This variable will ignored in the case of those pesticides that are applied directly to the soil FacWasCrp The wash off factor from the crop canopy This variable will ignored in the case of those pesticides that are applied directly to the soil Substance specific substance properties Parameters in this section must have a substance extension CMPC table FraPrtDau mol mol 1 0 71 C gt MET C end table pH independent OptCofFre C pH
17. dry bulk density of the soil Xe kg kg is pesticide content at non equilibrium sorption sites ky d is desorption rate coefficient and fne is factor describing the ratio KrnelKreg With Krne m kg as the Freundlich coefficient for the non equilibrium sorption phase See Leistra et al 2000 for a discussion of the theoretical background of this equation page 76 of 82 RIVM report 716601008 The effect of temperature on both the equilibrium and the non equilibrium Freundlich coeffi cient is described with AH 1 l Kree K rere X z 48 F eg F eq ref R z Ta AH 1 l Kp pe K ex s 49 F ne F ne ref R 2 is in which the subscript ref indicates a reference temperature and in which AH is the molar en thalpy of sorption J mol The default value of AH is 0 no effect of temperature on sorption Usually the Freundlich coefficients decrease with increasing temperature Calvet ef a 1980 which implies that AH is negative However sometimes positive values of AH have been found Dao and Lavy 1978 Boesten and Van der Pas 2000 The partitioning of the pesticide between the gas phase and the liquid phase is described by Henry s law oe 50 in which cg kg m is the concentration of pesticide in the gas phase and Ky m m is the Henry coefficient which is calculated by PysM S RT 51 where p Pa is the saturated vapor pressure M kg mol is molar mass S kg
18. flux of pesticide in the gas phase R kg m d is the transformation rate Ry kg m d is the formation rate R kg m d is the rate of pesticide uptake by plant roots and Ry kg m d is the lateral discharge rate of pesticides Transport in the liquid phase Transport of the pesticide in the liquid phase of the soil is described by an equation including convection dispersion and diffusion wa Dya SE where J z kg m d is the mass flux of pesticide in the liquid phase q m m d is the soil water flux Dais m d is coefficient of pesticide dispersion in the liquid phase z m is ver tical position and Daz m d is the coefficient of pesticide diffusion in the liquid phase The dispersion coefficient is taken to be proportional to the soil water flux Dab 30 29 Jer qc D dis L dis L page 72 of 82 RIVM report 716601008 with Lais m as the dispersion length The diffusion of pesticide in the liquid phase is de scribed by Fick s law The coefficient for diffusion of pesticide in the liquid phase is calcu lated by Dara D 31 where Cy is the relative diffusion coefficient in the liquid phase and D m d is the coef ficient of pesticide diffusion in pure water The relative diffusion coefficient is a function of the volume fraction of liquid PEARL offers three methods do describe this function By default the function proposed by Millington
19. grid machines see figure 23 Make sure that the binary directory bin directory is also a shared directory You don t need to copy the binary files to the grid machines Make sure that the file references in the geo file refer to this shared directory Also the output directory should be a shared directory and not a directory on the grid machine Keep the tmp directory on the grid machine to avoid too much network traffic You can now submit the GeoPEARL assessment to the grid If the grid software that you are using has the possibility of submitting so called job arrays then this is the way to submit An example batch job for the LSF grid system is listed in section 3 11 1 If all runs are ready you have to merge the individual output files to one file You get for example 100 files with extension foc they have to be merged to one file If done you can run the percentiles program in a normal way N Shared directory e g DS r user tiktaka geopear Figure 23 General set up of a GeoPEARL grid implementation To the right are the grid computers to the left is your local machine page 60 of 82 RIVM report 716601008 3 11 1 Example for the platform LSF system With the following command you can submit a job with 100 subruns The call uses the LSF bsub command and ca
20. gt SLICE 24 25 Plot without relevant crop Plot with relevant crop Figure 24 Slice operation performed on 18 relevant plots see above All plots in this example have a surface area of one single grid cell Notice that the number of plots in each zone is between 3 and 4 due to rounding effects The minimum number of zones that should be included in a leaching study can be determined by analyzing the 90 percentile of the leaching concentration as a function of the number of zones An efficient slice operation delivers a constant 90 percentile with few zones It may be expected that the efficiency of the slice operation will improve if zones are sampled in all classes of the cumulative frequency distribution of the leaching concentration For this reason a slice operation has been developed on the basis of the relative vulnerability to pesti page 62 of 82 RIVM report 716601008 cide leaching further referred to as the vulnerability index To get an a priori estimate of the vulnerability index the following procedure was followed 1 For six ordinary behaving pesticides the 50 percentile of the leaching concentration in time was simulated with GeoPEARL 2 For each substance the median leaching concentrations were scaled to the range 0 to 1 For each plot the average of the six so obtained values was calculated 4 Each plot was assigned a relative ranking on the basis of its position at the cumu
21. plot RIVM report 716601008 page 35 of 82 the second graph shows the cumulative frequency distribution of the 20 50 and 80 percentiles of each plot This graph is an extension of the first graph it shows the variabil ity of the leaching concentration due to variability in weather conditions Both graphs can be shown for all substances in an assessment i e the parent and if applica ble the metabolites GeoPearl Graphs amp Maps xj Echo of Input Map Soil properties of the top 25 cm Clay fraction as part of mineral soil Map Crop area Agriculture x Figure 14 Screen for reviewing the input parameters Echo of Input Area of Use Area of Crop Assessment Total Agricultural Area Substance Focus compound x Graph Cumulative frequency of leaching concentrations Graph Cumulative frequency 20 50 and 80 percentile of leaching concentrations Figure 15 Screen for viewing output for the area of use of the substance in an assessment page 36 of 82 RIVM report 716601008 2 12 3 Viewing output parameters for individual crops within an assessment If you want to graph results for the total area of usage select the Area of crop tab fig ure 16 This tab is only visible if results are available First select the substance for which you want to view the output You can choose between the following type of graphs cumulative frequency di
22. product You can choose from 26 entries Most of the entries consist of a single crop or a crop group and it will be quite clear from the name what is meant For example the entry potatoes stands for all potato crops so includ ing seed potatoes starch potatoes and potatoes for consumption The following entries need explana tion Fallow agricultural area indicated not to be used for production of crops for some period Plants for commercial purposes caraway flax poppy seed and rapeseed Remaining agricultural crops crops not identified by other entries usually these crops individually have an acreage up to a few hundred hectares Total agricultural area area of all crops including fallow together Total non urban area total non built up area i e agricultural area and nature area The 24 crops crop groups including fallow can be combined in an assessment For example it is possible to select both sugar beets and potatoes in an assessment It is however impossible to com bine individual crops with the total agricultural area or the non urban area this would lead to overlap in areas Likewise it is impossible to combine the agricultural area and the total area 2 9 Checking assessment definitions Back at the main screen you can check the definitions of the assessments If necessary you can make changes immediately by editing an assessment in the main screen The main screen gives an overvi
23. where you want run GeoPEARL in background set Pri orityClass to Low otherwise choose a different option OptAppend OptAppend can have four values i e Yes No SkipErrors and New If set to Yes results are appended to existing output files If a plot has previously re sulted in an error a retry will be carried out If set to SkipErrors results are appended to existing output files and plots that have previously resulted in an error will be ignored If set to No new files will be created Existing files with the same name will be re placed without further notice If set to New new files will be created If files exist already with the same name GeoPEARL will give an error message RIVM report 716601008 page 47 of 82 OptDelPloFiles If set to Yes GeoPEARL removes all temporary files when a plot is done see the flow diagram in figure 11 of GeoPEARL report This option should not be changed unless you are testing the model OptHyd GeoPEARL can be used to simulate water balances only Set OptHyd to Only to do so See also page 61 of the FOCUS PEARL user manual TimStart The start time of the simulations For the Dutch registration procedure Tim Start should be 01 Jan 1901 TimEnd The end time of the simulations is dependent of the repeat interval of applica tions as specified in the applications file It should be set to 31 Dec 1926 in the case of annual applications
24. 2 o o _ gt 0 1000 2000 3000 4000 5000 6000 Number of zones PEC90 of substance 5 in flower bulbs ug L 2 5 1 5 0 5 o E N w 0 1000 2000 3000 4000 5000 6000 Number of zones oa PEC90 of substance 5 potatoes ug L 0 3 0 2 0 1 0 1000 2000 3000 4000 5000 6000 Number of zones Figure 26 Effect of the number of zones on the 90 percentile of the leaching concentration at the area of potential usage PEC90 of substance 1 in grass ug L 0 1 0 05 o ag o uo N gt en a a 0 1000 2000 3000 4000 5000 6000 Number of zones ote PEC90 of substance 2 in grass ug L 0 04 0 03 0 02 0 01 0 1000 2000 3000 4000 5000 6000 Number of zones PEC90 of substance 3 in grass ug t SC NLkUDANSOCS 0 1000 2000 3000 4000 5000 6000 Number of zones A PEC90 of substance 4 in grass ug L 0 0 1000 2000 3000 4000 5000 6000 Number of zones PEC90 of substance 5 in grass ug L 0 15 0 05 o o N 0 0 1000 2000 3000 4000 5000 6000 Number of zones PEC90 of substance 6 in grass ug L 0 04 0 03 0 02 0 01 o 0 1000 2000 3000 4000 5000 6000 Number of zones Figure 27 Effect of the number of zones on the 90 percentile of the leaching concentration at the area of potential usage page 64 of 82 RIVM report 716601008 The calculated spatial pattern of the leaching concentration is also remarkably stable even if as few as 50 zones are includ
25. 20 CropArea_3 m ConLea_3_30 CropArea_4 oH ConLea_3_40 CropArea_6 ConLea_3_50 ConLea_12_10 3 ConLea_ 3 50 12 ConLea_3 50 CropArea 1 CropArea 2 CropArea_3 CropArea 4 CropArea 6 Figure 22 Diagram which shows how to create tables for further processing To create maps the obtained table should be combined with the map of unique combina tions This map is called ue holland 6405 map and is stored in the mapping directory of GeoPEARL The map is in ASCIIGRID format and can be imported in many Geographi cal Information Systems including ArcInfo and ArcView To present the concentration on the area of potential usage only select only those plots where the relative crop area is above the threshold area as set in the geo file variable ThresholdArea page 47 The relative area ha ha is calculated as the crop area in a plot ha divided by the total area of the plot ha The default value of the threshold value is 0 01 ha ha Maps of terms of the water and substance balances are created in a comparable way Average substance and water balances and percentiles of the leaching concentration can be calculated from the obtained table using the relative crop area as a weighing factor 3 11 Using GeoPEARL on a grid GeoPEARL can be used efficiently on a grid system as the total simulation process can easily be split up in parts An assessment with 6405 plots for example can be split up in 100 subruns and an acce
26. 22 2 6 Editing substances 23 27 Editing application schemes 30 2 8 Composing an assessment with the Assessment Wizard 31 2 9 Checking assessment definitions 32 2 10 Running the model 32 2 11 Reports showing the target variable for registration 33 2 12 Viewing maps and graphs 34 2 13 Archiving your assessment 37 2 14 Directory structure for the GeoPEARL User Interface 37 2 15 Using another database 38 3 User s guide of the command line version of GeoPEARL 39 3 1 Performing an assessment with the stand alone version 39 3 2 File structure 40 3 3 Creating an assessment with multiple assessment items 40 3 4 Adding and editing substances 41 3 5 Adding and editing application schemes 44 3 6 Editing the control file 46 3 7 Running the model 50 3 8 Output files 51 3 9 The percentiles program 55 3 10 Further output processing 57 3 11 Using GeoPEARL on a grid 58 4 Procedure for plot selection 61 4 1 Methodology 61 4 2 Results 62 5 Theory 65 5 1 Hydrology 65 5 2 Heat flow 69 5 3 Pesticide fate 70 References 81 page 10 of 82 RIVM report 716601008 RIVM report 716601008 page 11 of 82 Samenvatting Nederland heeft sinds 1988 gebruik gemaakt van een beslisboom om het risico van uitspoe ling naar het grondwater te kunnen beoordelen Door recente ontwikkelingen op EU niveau was het noodzakelijk om deze beslisboom te herzien om de afstemming met de EU optimaal te houden Uitgangspunt is het EU standpunt dat het grondwater bescherming beho
27. 31 Dec 1946 in the case of biennial applications and 31 Dec 1966 in the case of triennial applications See also page 60 of the FOCUS PEARL user manual IniYears The number of initialization years These years or not used for the calculation of the percentiles of the annual leaching concentration The value to be used in the registra toin procedure is 6 NumCPU Maximum number of CPUs available for grid computing If GeoPEARL is used in a classical configuration put NumCPU to 1 For further explanation of the grid option refer to section 3 11 CPUID The CPU ID If GeoPEARL is used in a classical configuration with one CPU only put CPUID to 1 For further explanation of the grid option refer to section 3 11 TOMode_Stdout TOMode Screen control IOMode Full IOMode_StdOut Normal PriorityClass Priority class Low Normal High Yes OptAppend Should files be appended Yes OptDelPloFiles Should the other plot files be removed Automatic OptHyd SWAP mode Automatic OnLine Only 01 Jan 1901 TimStart Start time of the simulation 31 Dec 1926 TimEnd End time of simulation 6 InitYears Number of years for initialization 1 NumC PU umber of CPUs for grid computing 1 1 CPUID umber of the current CPU 1 NumCPU 3 6 3 Plot selection GeoPEARL has two options to select the plots to be included in the simulations i e manually or automatically on the basis of the area of potential pesticide usage i e area of the crop in which the substanc
28. ARL user manual page 61 and 70 they are not discussed here Output control data Yes OptScreen Screen option NolSwap OnlylYes example OutputControl File with output data ctr file Yes PrintCumulatives Print fluxes cumulative Yes No 1 0 ZFoc m Depth of layer for balances DaysFromSta DateFormat Format of dates in the output file G12 4 RealFormat Format of reals in the output file Decade OptDelTimPrn Option for time step 150 DelTimPrn d Print time step only if option is input SWAP control parameters No OptHysteresis Simulate hysteresis 1000000 MaxItSwa Maximum number of iterations 0 005 ThetaTol m3 m 3 Tolerance for SWAP tyds DelTimSwaMin d Minimum time step for SWAP 0 20 DelTimSwaMax d Maximum time step for SWAP 1 0 GWLTol m Tolerance for groundwater level 3 7 Running the model Once all files have been edited the model can be run The command call consists of two parts i e the program name and the name of the run The name of the run is exactly the same as the name of the control file the geo file The full name including the directory name RIVM report 716601008 page 51 of 82 should be specified here The command can also be given from a command box or from the Total Commander After you have entered this command the program will start A flow chart which gives the order of the calculations is given in figure 11 of the GeoPEARL man ual If you have set the option PriorityClas
29. FOCUS PEARL the user should first define the building blocks of an assessment see figure 2 This implies that first the substances and application schemes must be defined This comes down to the following steps figure 4 1 Define or edit substances Physico chemical properties sorption parameters transforma tion parameters and parameters for interaction with plants should be defined for the sub stance and all its metabolites to be included in the calculations 2 Define or edit the application schemes As each assessment item may have its own appli cation scheme several assessment schemes may be required see section 2 1 Add or edit a substance Parameters must be given for parent substances and for metabolites Add or edit application schemes Each assessment item may have its own application scheme Use the wizard to generate assessments An assessment consists of a single substance and one or assessment items Review the input and correct where necessary Select assessments for execution and push the calculate button to start the simulations View reports graphs and maps Figure 4 Major steps of a GeoPEARL assessment RIVM report 716601008 page 21 of 82 3 Use the assessment wizard to define an assessment gt Check the settings within the assessment and correct if necessary 5 Perform the calculations by selecting the assessments and push the calculate button to start the calculations 6 Review
30. FOCUS layer The thickness of the FOCUS layer is set by the variable ZFoc in the output control section of the geo file Following recommendations of the FO CUS working group FOCUS 2000 its default value is 1 m Files with extension ecb These files contain the annual and long term average substances balances of the crop canopy Files with extension foc These files contain the percentiles of the leaching concentration at target depth The target depth is set by the variable ZFoc in the output control section of the geo file Following recommendations of the FOCUS working group FOCUS 2000 its default value is 1 m Files with extension day If detailed daily output is requested in the control file results are written to these files In standard applications these files are empty Files with extension log This file contains the program log You can review for example the computation times and see which plots have been done so far Files with extension err Error messages are written to these files Files with extension erf This files is generated if you have set OptPlotList to Automatic page 47 This file gives the linkage between the zone numbers and the plot numbers and is needed when creating output maps 3 8 1 The water balance of the individual plots wsb and wfb files GeoPEARL gives for each plot the following annual and long term average terms of the water balance see also figure 20 the numbers refer to the column numb
31. RIVM report 716601008 2004 The GeoPEARL model Part II User guide and model description update A Tiktak A M A van der Linden J J T I Boesten R Kruijne and D van Kraalingen a RIVM Bilthoven riym b Alterra Wageningen Dp arera Corresponding author E mail a tiktak rivm nl This investigation has been performed by order and for the account of the Ministry of Spatial planning Housing and the Environment within the framework of project M 716601 Pesticide Fate in the Environment The Al terra contribution has been performed by order and for the account of the Ministry of Agriculture Nature and Food Quality within the framework of research program 416 Pesticides and the Environment RIVM P O Box 1 3720 BA Bilthoven telephone 31 302749111 fax 31 302742971 page 2 of 82 RIVM report 716601008 RIVM report 716601008 page 3 of 82 Het rapport in het kort Nederland heeft sinds kort een nieuwe beslisboom om het risico van uitspoeling van bestrij dingsmiddelen naar het grondwater te kunnen beoordelen In deze beslisboom wordt beoor deeld of de concentratie van bestrijdingsmiddelen in het grondwater de EU drinkwaternorm van 0 1 ug L zal overschrijden De nieuwe beslisboom houdt expliciet rekening met het op pervlak waarop het middel wordt toegepast Een middel kan uitsluitend worden toegelaten indien de concentratie in het grondwater over een lange periode lager is dan 0 1 ug L o
32. The 90 percentile of the leaching concentration is calculated in a number of steps 1 For each plot average leaching concentrations are calculated for 20 calculation periods The length of the calculation periods is one year in the case of annual applications two years in the case of biennial applications and three years in the case of triennial applications conform FO CUS 2000 2 From these 20 values the median value is taken The result is considered the leaching concentra tion of a plot 3 The 90 percentile in space is calculated using the median values of all plots Notice that in the Dutch registration procedure the target variable is the median concentration in time and the 90 percentile in space This is different from the FOCUS procedure where the 80 percentile in time is combined with an approximate 80 percentile in space 2 12 Viewing maps and graphs By clicking the Graphs and Maps button the user has fast access to all spatially distributed model inputs and model outputs This option is extremely powerful when analyzing the be havior of the model behavior Three major groups of variables can be accessed 1 Spatially distributed model input parameters which fall apart into two categories i e soil parameters and crop areas These parameters can be accessed through the Echo of Input tab As mentioned in section 2 8 crop areas are used as a proxy for the area of usage 2 Output parameters that are availabl
33. aize output maize 2 potatoes output potatoes 3 cereals output cereals end table 3 9 2 Running the program Once the assessment file has been edited the program can be run The command call consists of two parts i e the program name and the name of the assessment The name of the asses sment is exactly the same as the name of the control file the ass file The full name including the directory name should be specified here The command can also be given from a com mand box or from the Total Commander RIVM report 716601008 page 57 of 82 3 9 3 Output of the program The program gives three different tables the leaching concentration for each zone included in the assessment Zones are sorted on the basis of the leaching concentration percentiles of the leaching concentration the final summary including the 90 percentile of the leaching concentration and the total area Notice that the overall percentiles are calculated for all items included in the assessment If you want to calculate percentiles for a single crop you have to create an assessment file with one crop 3 10 Further output processing On the basis of the obtained model outputs the following results can be calculated regional scale substance and water balances maps of terms of the water and substance balances maps of the leaching concentration These results are not calculated by the current version of GeoPEARL but should
34. and Quirk 1960 is used Gt jon 32 where 0 m m is the volume fraction of liquid 8 m m is the volume fraction of liquid at saturation and amz and by are empirical parameters The second type of equation is the one used by Currie 1960 Ge deere 33 where acz and bcz are empirical coefficients The third equation is suggested by Troeh et al 1982 In this approach diffusion in the liquid phase is taken to be zero in a range of low volume fractions of water In this range the water filled pores are assumed to be dis continuous br Dd 3 dy 34 0 if O lt a where ar m m is the volume fraction of water at the air entry point and br is an em pirical parameter The value of the diffusion coefficient in water is temperature dependent mainly because the viscosity of water depends on the temperature In PEARL the theoretically derived Stokes Einstein equation Tucker and Nelken 1982 is approximated by D 1 0 02571 T T D 35 where T K is temperature T K is reference temperature and Dyw m d is the diffusion coefficient in water at reference temperature See Leistra et al 2000 for details wr Transport in the gas phase Transport of pesticide in the gas phase is described by Fick s law Dn 36 pg dif g z where Jy kg m d is mass flux of pesticide in the gas phase and Dafa m d is coeffi cient of pesticide
35. arallel to the Assessment directory you will find the Schematisation directory This di rectory contains all the ASCII files of the spatial schematisation represented by an orange color in figure 18 and the output control file ctr file The Temp directory contains temporary files generated by the GeoPEARL executable Within the assessment directory you will find one or more assessment item directories In this directory you will find back the geo cmp and app files see section 3 2 for explana tion page 38 of 82 RIVM report 716601008 The output of an assessment item is written to the output subdirectory the files with a blue color in figure 18 Assessment Item directory Bin Assessment directory directory Output Database _ DBGeoPEARL Schematisation pees directory directory directory GeoPEARL root directory Help Temp directory directory XY directory Figure 17 Directory structure for the GeoPEARL User Interface 2 15 Using another database You can use multiple database with GeoPEARL To do so follow this procedure goto the database directory and copy the database i e the file with extension ib The name of this database should be different from the name of the original database From the main menu select File and then Open GeoPEARL database to open another database GeoPEARL will now open the other database When starting GeoPEARL it will open the da
36. ation using the mini mum value of the canopy resistance and the actual air resistance and ii the calculation of the actual evapotranspiration using a reduction function Application of the Penman Monteith equation requires values of the air temperature solar radiation wind speed and air humidity In SWAP daily values of these parameters are used See Van Dam et al 1997 for details SWAP calculates three quantities with the Penman Monteith equation page 66 of 82 RIVM report 716601008 ET md potential evapotranspiration of a wet canopy completely covering the soil ET o m d potential evapotranspiration of a dry canopy completely covering the soil E o md potential evaporation of a wet bare soil As wind speed and air humidity are not always available PEARL can alternatively calculate the reference evapotranspiration according to Makkink 1957 which requires daily values of temperature and solar radiation only This equation however has some limitations 1 it is developed for Dutch climatological conditions and ii due to the lack of a ventilation term its performance in winter conditions is relatively poor In this case the potential evapotran spiration rate of a dry canopy ET m d is calculated by ET JET 7 where f is an empirical crop factor which depends on the crop type and ET m d is the reference evapotranspiration Notice that this approach does not allow differentiation betw
37. bles finished Plants for commercial purposes finished Floriculture finished Flower bulbs finished Tree nursery finished Fallow finished Fruit culture finished Cereals finished Grass finished Grass seed finished Green manuring finished Vegetables finished Cannabis finished Silviculture finished Cabbage finished Maize finished Remaining Agricultural Crops finished Legumes finished Leek finished Onions finished Total Agricultural Area finished Total Non urban Area finished Calculating combination Asparagus and SpringSurface Progress SE EEGGG Suspend Figure 13 Screen indicating the progress of model execution 2 11 Reports showing the target variable for registration When GeoPEARL has terminated successfully you will see that the Results column is set to Yes Also the Reports button will become highlighted You can use this button to view a summary report which shows the 90 percentile of the leaching concentration for the area of usage As described in the text box in section 2 8 this area is represented by the total area of the crops selected when composing an assessment See also section 2 5 of the GeoPEARL report for explanation of the area of usage The reports contain information on the leaching concentration of all substances including metabolites page 34 of 82 RIVM report 716601008 The target variable
38. calculated for the total area of maize potatoes and cereals 2 2 Installation of the GeoPEARL User Interface Before using GeoPEARL you have to install the model The model comes in a self extracting archive called geopearl 1 1 l exe This archive is available at the download page of the PEARL website which is at the address http www pearl alterra nl The size of this archive is approximately 150 Mbytes so you need a fast internet connection for downloading ADSL or better The very first step of the installation procedure is to run the GeoPEARL self extractor application figure 3 Running this application will automatically install the installation files to a directory of your choice to be specified in the dialog destination folder It is advised to archive the installation files as these may later be required to remove GeoPEARL Download geopearl_1_1_1 exe from the address http www pearl alterra nl Archive this application Logon with administrator rights Run geopearl_1_1_1 exe to install GeoPEARL Launch GeoPEARL to install Interbase Logon with your own user name Start using GeoPEARL register at the PEARL website If FOCUS PEARL 2 2 2 is installed launch FOCUS PEARL as well Figure 3 Installation procedure of GeoPEARL 1 1 1 During the setup procedure you will see the license agreement and the contents of the file ReadmeDuringInstallation rtf We strongly recommend reading the information in these f
39. d files can be used to archive your run as input for the stand alone version of GeoPEARL Please notice that it is currently not possible to import the obtained files into another GeoPEARL database You must also archive the GeoPEARL database 2 14 Directory structure for the GeoPEARL User Interface The communication between the GeoPEARL User Interface and the GeoPEARL executables is through ASCII files These files can also be used in combination with the stand alone ver sion of GeoPEARL as described in chapter 3 Figure 17 shows the directory structure used by the GeoPEARL User Interface The GeoPEARL root directory is the directory that you have specified during the installa tion The bin directory contains all executables The database directory contains the GeoPEARL database The default name of the data base is DbGeoPearl ib All ASCII files required by the GeoPEARL executable are stored in the DBGeoPEARL directory The actual name of this directory depends on the name of the database If for example the name of the database is bentazone ib the name of this directory would also have the name bentazone The number of data directories is equal to the number of GeoPEARL databases The next level is the Assessment directory For each assessment that has been carried out with GeoPEARL a directory is created Directories are given numbers the numbers cor respond with the assessment number P
40. d in the file with extension app step 5 of Getting Started An example of this file is included in the examples directory We recommend to make a copy of this file before editing The applications file contains exactly the same infor mation as the management section of the PEARL input file as described in section 4 2 10 of RIVM report 716601008 page 45 of 82 the FOCUS PEARL user manual For detailed information on application schedules the reader is referred to this manual Each application scheme starts with scheme and ends with end scheme where scheme must be replaced by the actual name of the application scheme Each section contains the fol lowing parameters kk F F F F F F A DelTimEvt The application interval in years Its value can be set to 1 2 or 3 If set to 2 for example biennial applications are simulated Conform the FOCUS procedure FO CUS 2000 the simulation length 26 46 or 66 years is dependent on the value of this parameter Table Applications The applications table The first columns contains the application date the second column the application type the third column the dosage and the fourth column the injection or tillage depth if relevant For further explanation of this table see page 68 of the FOCUS PEARL manual Please notice that in GeoPEARL only user speci fied interception fractions can be specified Table TillageDates Tillage events can be specifi
41. der GUI worden gebruikt het rapport beschrijft beide mogelijkheden Het eerste deel van het rapport beschrijft stap voor stap hoe het model via de GUI dient te worden gebruikt De GUI is zodanig opgezet dat standaardtoepassingen ten behoeve van de toelatingsprocedure gemakkelijk kunnen worden uitgevoerd De GUI geeft toegang tot de benodigde data genereert invoerbestanden voor het rekenhart voert de berekeningen uit en genereert rapporten en kaarten De gegenereerde kaarten en rapporten kunnen direct gebruikt worden in een toelatingsdossier De meeste gebruikers zullen het model via de GUI benade ren Het tweede deel van het rapport gaat in op het gebruik van de het model zonder de GUI Ge bruik van het model zonder GUI biedt een aantal extra mogelijkheden Zo is het mogelijk een andere ruimtelijke schematisatie in te voeren en is toepassing van het model op een grid mo gelijk Toepassingen zonder de GUI vergen echter meer kennis van de gebruiker Deze versie is daarom uitsluitend geschikt voor gebruikers die vertrouwd zijn met toepassing van com plexe numerieke modellen page 12 of 82 RIVM report 716601008 RIVM report 716601008 page 13 of 82 Summary Recently the Netherlands have adopted a new decision tree for the evaluation of the leaching potential of pesticides In this decision tree it is evaluated whether the concentration in groundwater exceeds the EU drinking water limit which is 0 1 ug L The new decision tree contains
42. diffusion in the gas phase The coefficient for diffusion of pesticide in the gas phase is calculated by Dir CD 37 RIVM report 716601008 page 73 of 82 where Gs is the relative diffusion coefficient in the gas phase and D m d is the coeffi cient of pesticide diffusion in air The relation between D and temperature is described by D 7 D 38 where Da m d is the diffusion coefficient in air at reference temperature The relative diffusion coefficient is a function of the volume fraction of the gas phase It is calculated analogous to the relative diffusion coefficient in the liquid phase eqn 32 34 Initial and boundary conditions The initial condition for the model is defined by profiles of the concentration of pesticide in the equilibrium domain of the soil system c e kg m and in the non equilibrium domain of the soil system c kg m It is further assumed that at the start of the simulation the areic mass of pesticide at the plant surface p is zero The boundary condition at the soil surface is a flux boundary condition The user can enter deposition fluxes of pesticide as a function of time Pesticides entering the system by deposi tion are subject to canopy processes The user can also specify the concentration of pesticide in irrigation water in which case the user has to choose between surface irrigation i e appli cation of irrigation water directly to the soil system and sprink
43. drained to surface drain system kg ha 1l a 1 19 AmaDep Areic mass deposited at the soil surface kg ha l a 1 20 AmaVol Areic mass volatised from the soil surface kg ha l a 1 21 AmaLea Areic mass leached from the soil system kg ha 1l a 1 22 AmaGrw Areic mass leached into the deep aquifer kg ha 1l a 1 page 54 of 82 RIVM report 716601008 The substance balance is as follows and can be checked by importing the esb and cfb files in a spreadsheet for example EXCEL DelAma 2 AmaApp AmaDep AmaVol AmaLea AmaUpt AmaDra AmaTra AmaFor where DelAma is the areic mass balance change As with the water balances net downward fluxes are negative Volatilisation AmaVol Application AmaApp Sol Uptake AmaUpt Field water courses water courses ditches lt 3m gt 3m Figure 21 The GeoPEARL substance balance 3 8 3 Percentiles of the leaching concentration foc file Percentiles in time of the mean annual leaching concentration at target depth are output to the file with extension foc The default value for the target depth is 1 m and can be controlled by the variable ZFoc in the output control section of the geo file page 50 For standard applica tions it should however not be changed The calculation procedure for the percentiles is es sentially the same as in the FOCUS procedure FOCUS 2000 To have correct percentiles generated the simulation must conform to FOCUS requirements which im
44. e equation for the effect of soil water on transformation reads Walker 1974 dB melf 61 where 0 m m is volume fraction of soil water B is empirical factor for the effect of soil moisture and the suffix fc refers to field capacity The effect of depth on the rate of transfor mation in soil is described by a tabular relationship In the version of PEARL that is used in GeoPEARL the transformation in the top horizon first horizon can be set dependent on the organic matter content the clay content and the pH of this horizon The reference half life DT so is adjusted according to RIVM report 716601008 page 79 of 82 DT o pior lt DT so min DE piot DT sq min DTso yor if DT so min lt DT o pior lt DT am a DT Eion Mom Mom Si On Mm Fon pH PH DT o piot gt DT 5 aa DT o pior DT sq max 62 where DT5o piot d is the plot specific half life of the pesticide in the well moistened plough layer at reference temperature fom d f d and fpu d are factors for the effect of organic matter clay and pH respectively mom kg kg is the mass fraction of organic matter m kg kg is the mass fraction of clay and pH is the pH of the soil The suffix r refers to the conditions for the reference soil DT so min d and DT so max d are user specified minimum and maximum values for the calculated half live time The minimum and maximum values are added to prevent the calculati
45. e for the total area of use i e for the area of all crops included in the assessment 3 Output parameters that are available for assessment items i e for specific combinations of crops and application schemes included in an assessment It is always possible to review the model inputs the other two tabs are only visible if an as sessment has run successfully Some of the maps are prepared automatically after finishing the calculations It will take only a few moments to present these maps on the screen Other maps are prepared only upon re quest of the user The preparation of these maps i e the selection of appropriate results may take several minutes 2 12 1 Viewing input parameters Maps of input parameters and maps of crop areas are available in the Echo of Input tab fig ure 14 For viewing input parameters check Map Soil properties and select the appropri ate parameter from the drop down box and the depth for which you want the parameter to be visualized To view the crop areas check Map Crop area and select the crop from the drop down box 2 12 2 Viewing output parameters for the total area of usage If you want to graph results for the total area of usage select the Area of usage tab figure 15 This tab is only visible if results are available You can choose between two graphs the first graph shows the cumulative frequency distribution of the median leaching con centration of each
46. e is applied see section 2 5 of GeoPEARL report In the second case plots are aggregated to larger computational units referred to as zones Selection between the two options of plot selection is done by setting the variable OptPlotList The default in registration is Automatic If the user chooses for automatic plot selection the results of the plot selection are written to a file extension with erf OptPlotList has three options i e Automatic Manual and Generate Only If OptPlotList is set to Manual the user must supply a file with plot numbers that must be included in the simulation The name of this file with extension lis should be specified in the record PlotListFile Manual plot selection is particularly handy for testing as it makes it possible to run a single plot and check if the model runs well page 48 of 82 RIVM report 716601008 If OptPlotList is set to Automatic the user must specify the crops for which a regis tration is requested table Crops You can chose between one of the crops included in table 2 of the GeoPEARL report The user must specify three additional parameters i e NumZone ThresholdArea and OptPlotSelection If OptPlotList is set to Generate Only GeoPEARL will create a list with plot num bers to be included in the simulations without actually starting the simulations Re sults are written to a file with extension crf CropAreaDataBase The name
47. e number of plots to be included in the assess ment You can enter a number between 2 and 6405 However for a reliable calculation of the 90 percentile of the leaching concentration at least 250 plots should be used see chapter 4 use a lower number only for test runs If the given number of plots is larger than the number of plots available for a certain crop then GeoPEARL calculates for the maximum number available Subsequently select a substance defined earlier and click the Next button The screen shown in figure 12 will appear Select a crop see text box an application scheme defined earlier and a repeat interval for the application scheme i e annually biennially or triennially and click the Add button Repeat this step for every crop you want to be included in the assess ment It is not possible to select a crop twice with different application schemes in a single assessment Press the Finish button after having selected all combinations for the assessment You return to the main screen from where you can work further page 32 of 82 RIVM report 716601008 Assessment Wizard x M Crops and Applications Crops Applications Repeat interval Cannabis ed GeoPEAR L_01 I 3 gt Cannabis GeoPEARL_01 3 Delete Cancel lt Back Next Frin Figure 12 Second screen of the assessment wizard Crops Crops are used in GeoPEARL to identify the area of use of a plant protection
48. e stored in crops directory holland CropDatabase File with crop properties extension crp Dn EN PR EN a En EN EE RR EE FR Te en EE el ee vet Information about meteo stations Column 1 ID Column 2 Latitude Column 3 Altitude m page 50 of 82 RIVM report 716601008 Column 4 Initial temperature C Column 5 Option for potential evapotranspiration h Input Reference evapotranspiration provided by user Be pA Penman Penman referenc vapotranspiration Makkink Makkink reference evapotranspiration K pta PenmanMonteith Penman Monteith evapotranspiration Column 6 Reference to the meteo fil table MeteoStations E D250 10 0 9 97 Input DeKooy 2 52 0 10 0 9 97 Input Leeuwarden 3 52 0 10 0 9 97 Input Eelde 4 52 0 10 0 9 97 Input Hoorn 5 520 10 0 929 Input Lelystad 6 52 0 10 0 9 97 Input Dedemsvaart 7 52 0 10 0 9 97 Input Naaldwijk 8 520 10 0 9 97 Input DeBilt 9 220 10 0 9 97 Input Winterswijk 10 52 0 10 0 Jeg Input Andel 1 52 0 10 0 9 97 Input Vlissingen 12 52 0 10 0 9 97 Input Oudenbosch T3 52 0 10 0 9 97 Input Gemert 14 52 0 10 0 9 97 Input Venlo 15 52 0 10 0 997 Input Beek end table Local and regional groundwater system holland GroundwaterSystem Groundwater system lbo file holland DrainageSystem Local drainage system dra file 3 6 6 Output and SWAP control All other parameters of the geo file can be left at default values As they are described in the FOCUS PE
49. ed in the TillageDates table The first column contains the date of tillage the second column the tillage depth See further page 68 of the FOCUS PEARL manual Application schemes Column 1 Date Column 2 Application type AppSolSur AppSolInj AppSolTil AppCrpUsr If Type AppSolSur soil surface application Column 3 Dosage kg ha 0 If Type AppSolInj injection Column 3 Dosage kg ha 0 Column 4 Injection depth m 0 If Type AppSolTil tillage Column 3 Dosage kg ha 0 Column 4 Tillage depth m 0 If Type AppCrpUsr application to the crop canopy Column 3 Dosage kg ha 0 Column 4 Fraction of dosage applied to the crop canopy 0 1 Aplication to the soil surface in spring springsurface I DelTimEvt Application interval table Applications 26 May AppSolSur 1 end table table TillageDates end table end springsurface page 46 of 82 RIVM report 716601008 3 6 Editing the control file All other changes for standard runs must be made in the geo file An example of this file is in the root directory of GeoPEARL i e the directory where GeoPEARL was installed Make sure to make a copy before editing this file 3 6 1 Specifying the input and output directories The directory where files are read or put can be changed The position of files containing the executables must be specified in the BinDir record the spatial schematisation must be speci
50. ed in the leaching assessment figure 28 It can be concluded that the slice operation in GeoPEARL is extremely efficient in reducing the number of zones that are required in a leaching study It should be noted however that the vulnerability index has been developed for ordinary behaving substances Substances that show pH dependent sorption behavior should be treated with care 50 zones aa 8 100 zones ner ng L ug L Crop area zero aN Crop area zero 5 0 0 001 E 0 0 001 0 001 0 01 0 001 0 01 Mm 0 01 01 E 001 0 1 E 01 1 E 01 1 a gt 1 E gt 1 250 zones wet S 500 zones S 5 UgL r ug L Crop area zero _ Crop area zero 0 0 001 m o 0001 0 001 0 01 0 001 0 01 0 01 01 E 0 01 01 E 01 1 E 01 1 E gt 1 a gt 1 Figure 28 Effect of the number of zones on the predicted spatial pattern of the median leaching con centration for a hypothetical substance in grass RIVM report 716601008 page 65 of 82 5 Theory 5 1 Hydrology Soil water flow The SWAP model Van Dam et al 1997 uses a finite difference method to solve the Richards equation oh oO oh C h BE 2of2 1 ne Ra Rr 3 where C h m is differential water capacity t d is time z m is vertical position A m is soil water pressure head K h m d is unsaturated hydraulic conductivity Ruz m m d is volumic volume rate of root water uptake and Ry m m d is volumic vol
51. ed soil properties whereas properties like the soil micro bial biomass or soil microbial activity are not Pesticide uptake The uptake of pesticide by plant roots is described by the equation R Rieter 63 where R kg m d is volumic mass rate of pesticide uptake Rr m m d is volumic volume rate of water uptake and f is an empirical transpiration stream concentration fac tor Lateral discharge of pesticides The rate of water discharged by the tile drainage system is calculated by the hydrological submodel eqn 19 The lateral discharge of pesticides is taken proportional to the water fluxes discharged by the tile drainage system Ri Rize 64 where Ry kg m d is volumic mass rate of pesticide discharge and Raz m m d is volumic volume rate of water discharge Equation 62 implies that it is assumed that concen tration gradients in the lateral direction are negligible i e no diffusion dispersion RIVM report 716601008 page 81 of 82 References Ashby M A J Dolman P Kabat E J Moors and M J Ogink Hendriks 1996 SWAP version 1 0 Technical Reference Manual Technical Document 42 SC DLO Wageningen the Netherlands Boesten J J T I and L J T van der Pas 2000 Movement of water bromide ion and the pesticides ethoprophos and bentazone in a sandy soil Description of the Vredepeel data set Agric Water Mgmt 44 21 42 Boesten J J T I and L Stroosnijder 1986 Simple
52. een a dry crop a wet crop and wet soil SWAP therefore assumes that these quantities are equal Potential transpiration and potential evaporation The potential evapotranspiration is partitioned into the potential transpiration and the potential soil evaporation The potential evaporation rate from a partly covered soil E m d is given by KLAI E ze E 8 where LAI m m is the Leaf Area Index x is the extinction coefficient for global solar radiation and E o m d is the potential evaporation rate of a wet bare soil As mentioned above Epo is equal to ET if the Makkink equation has been used SWAP assumes that the evaporation rate of the water intercepted by the canopy is equal to ET w independent of the soil cover fraction The ratio of the daily amount of intercepted pre cipitation see eqn 14 P and ETwo indicates the fraction of the day that the canopy is wet fw P Den SWAP calculates a daily average of the potential transpiration rate taking into account the fraction of the day that the canopy is wet cf Bouten 1992 T l FET E with T gt 0 10 p where T m d is the potential transpiration rate in the case of a partly soil cover Uptake of water by plant roots The maximum possible root water extraction rate integrated over the rooting depth is equal to the potential transpiration rate T m d The potential root water extraction rate at a given depth Rup Z m
53. eft De EU invulling van deze bescherming geeft aan dat de concentraties van individuele werkzame stoffen en relevante metabolieten in het grondwater niet hoger mogen zijn dan 0 1 ug L Om te kunnen functioneren in een beslisboom is echter een meer operationele en toetsbare norm nodig De nieuwe beslisboom geeft als operationeel criterium dat de concentratie in het grondwater over een lange periode 20 jaar lager moet zijn dan 0 1 ug L onder tenminste 90 van het oppervlak waarop de stof wordt gebruikt De nieuwe beslisboom bevat dus in tegenstelling tot de vroegere procedure een expliciet ruimtelijk criterium Om dit criterium wetenschappelijk te kunnen toetsen is een ruimtelijk verdeeld uitspoelingsmodel GeoPEARL ontwikkeld GeoPEARL berekent de uitspoeling van een stof specifiek voor het toedieningsareaal van de stof Dit rapport bevat een handleiding van het model waarbij de nadruk ligt op toepassing in het kader van de nieuwe Nederlandse registratieprocedure Dit rapport dient gebruikt te worden in combinatie met RIVM rapport 601450019 waarin zowel de nieuwe beslisboom als de rol van GeoPEARL in deze beslisboom beschreven worden Achtergrondinformatie over het model zelf inclusief de theorie zijn te vinden in een eerder verschenen RIVM rapport namelijk rap port 716601007 GeoPEARL bestaat uit verschillende componenten waaronder het rekenhart de kernel en een grafische gebruikersinterface GUI Het model kan zowel met als zon
54. eme This implies that different RIVM report 716601008 page 41 of 82 crops can have different application schemes To carry out an assessment with more items do the following 1 After having created the geo file for the first crop copy this file as many times as there are items in your assessment If for example you have to do an assessment for maize pota toes and cereals create a file maize geo potatoes geo and cereals geo 2 Ineach geo file assign the appropriate crop in the Crops table and the appropriate applica tion schedule in the applications table Warning these two variables are the only vari ables that can be different within an assessment You can only use one substance within an assessment 3 Run the model for all items 4 Use the percentiles exe program to a calculate the overall 90 percentile of the leaching concentrations at the total area of usage b calculate the 90 percentile of the leaching concentrations for each assessment item individually c generate maps The percentiles program should be run one time in an assessment The entire procedure is described in figure 19 Create a directory for an assessment and copy the examples Add a substance to the cmp file Add application schemes to the app file Edit the geo file and make it OK for the first crop in your assessment Make as many copies of the geo files as there are crops in the assessment Run GeoPEARL for each assessment item Pre
55. ers in the files OMAHA BWNE Plot The plot number Lr The year or Avg for long term averages DelLiq Net storage change of water in profile m a 1 Pre Precipitation m a 1 Irr Irrigation m a 1 FlvLea Seepage at the lower boundary m a 1 FlvGrw Groundwater recharge m a 1 Evpint Evaporation of intercepted water m a 1 SolAct Actual soil evaporation m a 1 TrpAct Actual transpiration m a 1 Dra Total discharge to drains and channels m a 1 Dra 1 Lateral discharge to primary system m a 1 Dra 2 Lateral discharge to secondary system m a 1 Dra 3 Lateral discharge to tertiary system m a 1 Dra 4 Lateral discharge to tube drains m a 1 Dra_5 Lateral discharge to surface drainage system m a 1 Run Run off m a 1 EvpPnd Evaporation of ponded water m a 1 SolPot Potential soil evaporation m a 1 TrpPot Potential transpiration m a 1 The water balance is as follows and can be checked by importing the wsb and wfb files in a spreadsheet for example EXCEL RIVM report 716601008 page 53 of 82 DelLig Pr c Irr EvpInt Run SolAct TrpAct Dra FlvLea 1 where DelLig is the storage change Please notify that the lower boundary flux F vLea is negative if downwards The groundwater recharge is calculated by integrating the flux over the phreatic groundwater table In those cases where there is no local drainage system this flux should be equal to the lower boundary flux Fl
56. es i e one time from the PEST form one time from the MET1 form and one time from the MET2 form GeoPearl Transformation Scheme Editor j xi M Substance M Browse metabolites Substance Code arc Transforms into Fraction transformed GeoPEARL MC E Substance Name GeoPEARL E gt a Is Parent Iv pad Edit metabolite To substance GeoPEARL MC x Fraction transformed 0 71 Help Close Figure 9 The transformation scheme form Start with the definition of the transformation scheme of the parent PEST Go to the PEST form and press transformation scheme The left part of the form shows the parent product and some of its main properties You cannot edit this part of the screen To the right you will see the metabolites By default no metabolites are specified If you leave these parameters page 30 of 82 RIVM report 716601008 unchanged PEARL will not simulate metabolites Extra metabolites can be added using the button in the browse toolbar Pick a metabolite from the to substance list If you want to add more metabolites repeat the preceding two steps After you have selected all metabolites enter the transformation fractions Repeat the steps in the last paragraph for the two other metabolites To achieve this first go to the MET1 and MET2 forms then press transformation scheme 2 7 Editing application schemes 2 7 1 Application schemes The application sche
57. ew model inputs and model outputs Most of the steps de scribed in section 2 3 will be carried out from the main screen You can use buttons the main menu or shortcut keys to navigate through the GeoPEARL User Interface The main menu The main menu can be used for easy access to various parts of the GeoPEARL user interface RIVM report 716601008 page 23 of 82 Use File submenu to open another database Key combination Alt F O or to exit GeoPEARL AIt F X Use the View submenu to directly jump to the projects form Alt V P the substances form Alt V S or the applications form Alt V A Use the Calculate submenu to start the calculations Alt C C or to select unselect all as sessments for execution Use the Assessment submenu to run the Wizard Alt A W to move an assessment to another project Alt A M or to archive an assessment Alt A A Use the Help submenu to activate the help function OZE Database d GeoGUI dbGeoPearl ib lol x File View Calculate Assessment Help Projects Calculate EN Wizard E Graphs amp Maps Report Q Contents Exit M Browse Assessments MT 7 NN 77 77 1 1 Crop areas GeoPEARL D 160 No 1 2 Crop areas GeoPEARL D 50 No No 161 No 21 Application interval GeoPEARL D 50 No No 162 No 2 2 Application interval GeoPEARL D 50 No No 163 No 3 1 Types of application GeoPEARL B 50 No No 164 No 3 2 Types of applica
58. ew of the most important items of the assessment in two tabs All the assess ment items can be changed in the respective tabs 2 10 Running the model An assessment can be selected for execution by double clicking the respective assessment Multiple assessments can be selected all selected assessments are executed by pressing the Calculate button on the main screen In the main menu you can select or deselect all as sessments in a project at once menu item Calculate RIVM report 716601008 page 33 of 82 After starting the calculations a GeoPEARL progress screen will appear This screen roughly indicates the progress of the execution at the bottom of the screen On the right side of the progress bar you see a Suspend button figure 13 This button can be used to temporarily stop the execution This button is active only in the calculation phase it is not active when GeoPEARL is preparing the input for the calculations and when GeoPEARL is preparing out put Caution the suspend button stops all PEARL and GeoPEARL calculations on a machine not only the calculations that were started from the GeoPEARL window from which you started the calculations for this assessment A warning appears after pushing the button you have to confirm that you want to suspend the calculations You can resume the calculations by clicking Calculate again GeoPEARL will continue with the first unfinished plot aleoPeart Prooress ex Leaf vegeta
59. he most common approach OptCofFre is Kom pH independent is to calculate the Freundlich coefficient from the organic matter content and the coefficient for sorption on or ganic matter eqn 42 If OptCofFre is set to Kom pH dependent the Freundlich coeffi cient is calculated with eqn 43 This equation applies to the sorption of weak acids In some cases the sorption of pesticides is dependent on other soil properties than the organic matter content e g oxide content or clay content Therefore an option is included in GeoPEARL to relate the sorption to other soil characteristics than organic matter KF dependent on soil components CEE o GeoPEARL D GeoPEARL E Yes 200 No GeoPEARL F Yes 100 No a GeoPEARL G m ajej SAE z General Freundlich sorption Transformation Diffusion Crop Option Kf dependent on soil components x Equilibrium sorption M Kf Dependent on soil components KEO intercept L kg 1 0 02 Kom organic matter L kg 1 i Ksand sand L kg 1 measured at C Ksilt sil L ka E cal Kelay clay L kg 1 0 6 Ksox sesqui oxides L mmol 1 0 00 Molar enthalpy of sorption kJ mol 1 Equilibrium sorption Reference concentration in liquid phase mg L 1 0 l Freundlich sorption exponent 0 9 0 0 M Non equilibrium sorption Desorption rate coefficient d 1 Factor relating CofFreNeq and C
60. he other application parameters repeat the last two steps if a substance is applied multiple times a year Click close when all done to return to the main scheme More information on editing application schemes can be found in section 2 7 Absolute applications only Unlike in FOCUS PEARL 2 2 2 in GeoPEARL it is not possible to specify pesticide applications rela tive to crop emergence so called relative applications The reason is that in GeoPEARL the crop emergence dates are part of a fixed spatial schematization which cannot be manipulated by the user Step 3 Run the wizard Press the Wizard button on the main screen to start a GeoPEARL assessment page 22 of 82 RIVM report 716601008 Specify a name the spatial detail wanted i e the number of plots and the substance for which GeoPEARL should be run In order to get a reliable estimate of the 90 percentile of the leaching concentration the number of plots should be at least 250 When done se lect Next Select a crop an application scheme and the application interval Then select Add Repeat the last step for all combinations of crops and application schemes to be included in the assessment Select Finish to go back to the main form Step 4 Refinement GeoPEARL has now created an assessment This assessment has already been selected for execution Before actually running the model it is advisable to review the most important model i
61. his half life should refer to the half life in the top soil plough layer under optimal moisture con ditions pF 2 The temperature reflecting the experimental conditions during the incubation study TemRefTra must also explicitly be introduced RIVM report 716601008 page 27 of 82 An important difference with the transformation form in FOCUS PEARL is the presence of a half life option field OptDT50 This field can have two values i e input and calculate If set to input GeoPEARL uses one DTso value for the entire country This value is equal to the value introduced in the half life field When choosing Calculate pedotransfer functions are applied to relate the transformation half life to soil components see eqn 62 The result is a spatially distributed half life value When choosing this value you need to specify the pa rameters of the pedotransfer function iol x Name CCidC GeoPEARL D Yes GeoPEARL E 200 No GeoPEARL F 100 No mi GeoPEARL G ECT GeoPEARL H 300 No x m ajel General Freundlich sorption Transformation Diffusion Crop M Transformation Half life d 20 measured at C 20 Option for Half life Calculate bad Minimum Halfdife d 5 Mavimum Halfdife d 200 PTiF Factor Elay Fraction d 100 Reference Elay Fraction ka kal 0 1 PTF Factor Organic Matter d 1000 Reference Organic Matter ka aif 0 05 PT F Factor pH d 2 Refere
62. ical User Interface can directly be used in a registration dossier The GUI gives easy access to the most important components of GeoPEARL like the genera tion of input files model execution output processing and generation of reports and maps For most modelers this part of the manual will be sufficient The second part of the manual describes how the model can be used without the graphical user interface When the model is applied in this way the user will have more possibilities It is for example possible to import a different spatial schematisation or run the model on a grid The command line version however is also more difficult to use This version should there fore only be used by those modelers that are familiar with complex numerical simulation models page 14 of 82 RIVM report 716601008 RIVM report 716601008 page 15 of 82 1 Introduction Recently the Netherlands have adopted a new decision tree for the evaluation of the leaching potential of pesticides In this decision tree it is evaluated whether the concentration in groundwater exceeds the EU drinking water limit which is 0 1 ug L The new decision tree contains a spatial criterion the long term average concentration of a pesticide or its relevant metabolites should not exceed the drinking water limit across at least 90 of the area of use of the pesticide To scientifically test the above spatial criterion a spatially distributed pesti cide leaching model refer
63. ich describes the new decision tree and the role of GeoPEARL in this tree Background information including the theory behind the model can be found in the earlier RIVM report no 716601007 Keywords pesticides registration leaching modelling GeoPEARL manual page 6 of 82 RIVM report 716601008 RIVM report 716601008 page 7 of 82 Preface Pesticide behavior in soils and leaching to the groundwater has widespread attention of the Dutch Ministries of VROM Ministry of Spatial planning Housing and the Environment and LNV Ministry of Agriculture Nature and Food Quality For this reason they commissioned RIVM and Alterra to develop methods and tools to be used in the evaluation of pesticide reg istration and to assess the overall environmental quality with respect to pesticides Since 1987 RIVM and Alterra have co operated in several projects to serve the goals of the minis tries with regard to pesticide policy Particularly in the field of pesticide leaching this long term co operation has led to products that are not only used for the Dutch registration proce dure but in international context as well GeoPEARL the tool described in this report will play a central role in the new Dutch deci sion tree for evaluating the leaching behavior of pesticides in the Dutch registration proce dure During the periode 2002 2003 beta versions of GeoPEARL were presented to stake holders in the field of pesticide registration Discussi
64. iles particularly if you already have a GeoPEARL database it is important that you read the in structions They can be found back in the GeoPEARL directory You should at least be aware of the following the operation system must be Windows NT4 or higher Windows 95 and Windows 98 are no longer supported by the PEARL team page 20 of 82 RIVM report 716601008 you must have full administration rights during the installation procedure and during the first time that you start using GeoPEARL If you don t have full administration rights logon to your computer with a user name that has administrator rights It may be neces sary to contact your systems operator ifa FOCUS PEARL 2 2 2 installation is present at your computer start FOCUS PEARL with administration rights to restore the connection with Interbase If you don t do this FOCUS PEARL will not start anymore Deployment licenses GeoPEARL and FOCUS PEARL 2 2 2 both use an InterBase database The use of this database requires the installation of a database engine the so called InterBase server Each user must have a so called deployment license for using this software This deployment license can be obtained free of charge from Alterra You need only one deployment license for GeoPEARL and FOCUS PEARL Only registered users can get a deployment license so please register at the PEARL website 2 3 Getting started with the GeoPEARL User Interface As in
65. ion SC is the fraction of the soil covered by the crop and a is an empirical parameter In SWAP the fraction of the soil covered by the crop is approximated by LAI 3 Van Dam et al 1997 page 68 of 82 RIVM report 716601008 Bottom boundary conditions SWAP makes a distinction between the local drainage flux to ditches and drains and the seep age flux due to regional groundwater flow The seepage flux due to regional groundwater flow is the lower boundary flux qs the local drainage flux is treated as a sink term Raz The following lower boundary conditions of SWAP can be used via the PEARL model 1 Groundwater level OD m specified as a function of time 2 Regional bottom flux q m m d specified as a function of time Neumann condition 3 Regional bottom flux is calculated using the hydraulic head difference between the phreatic groundwater and the groundwater in the semi confined aquifer pseudo two di mensional Cauchy condition Figure 30 _ Di Ding 15 d Yogi where af m is hydraulic head of the semi confined aquifer Pag m is average phreatic head and yagt d is vertical resistance of the aquitard The average phreatic head is determined by the shape of the groundwater level in a field The average phreatic head is calculated using the drainage base Dz m and a shape factor Bow 0 B D 16 Possible values for the shape factor are 0 64 sinusoidal 066 parabolic 0 79 e
66. is given in the plot table of the crf file The format of this file table is as follows 1 Plot The plot number 2 Zone The zone number 3 Area Area of plot 4 AreaCrop Area of crop for which a registration is requested in plot 5 RelArea Relative area of crop per plot 3 8 4 Other output files There are three additional output files The day file which contains detailed output This file is only generated if additional out put was requested by the user page 50 The format of the day file is exactly the same as the format of the output file of FOCUS PEARL so it is not further discussed here The log file which contains log information such as the computation time per plot The err file which contains error messages If the model terminates normally it should be empty 3 9 The percentiles program Summary reports including the 90 percentile of the leaching concentration at the area of usage are generated by the percentiles program To use this program the following steps must be followed 1 create an assessment file This file must have the extension ass 2 edit this file It is important to make a reference to all assessment items to get the appro priate 90 percentile 3 run the program percentiles exe 4 results are written to a file with extension per page 56 of 82 RIVM report 716601008 3 9 1 The assessment file An example assessment file is listed below An example is included in the example direc
67. itons and manual RIVM report 716601007 RIVM Bilthoven the Netherlands Tomlin C Ed 1994 The Pesticide Manual 10th Edition Crop Protection Publications Royal Soc Chemis try Cambridge UK Troeh F R J D Jabro and D Kirkham 1982 Gaseous diffusion equations for porous materials Geoderma 27 239 253 Van Dam J C J Huygen J G Wesseling R A Feddes P Kabat P E V van Walsum P Groenendijk and C A van Diepen 1997 Theory of SWAP version 2 0 Simulation of water flow solute transport and plant growth in the Soil Water Atmosphere Plant environment SC DLO technical document 45 Wageningen the Neth erlands pp 167 Van der Linden A M A J J T I Boesten A A Cornelese R Kruijne M Leistra J B H J Linders J W Pol A Tiktak and A J Verschoor 2004 New decision tree for the evaluation of pesticide leaching from soil RIVM report 601450019 RIVM Bilthoven the Netherlands Van Genuchten M Th 1980 A closed form for predicting the hydraulic conductivity of unsaturated soils Soil Sci Soc Am J 44 892 898 Walker A 1974 A simulation model for prediction of herbicide persistence J Environ Qual 3 396 401
68. lative frequency distribution ios 4 2 Results Results are shown in figure 25 Soils with low vulnerability are usually peat soils The highest vulnerability is found in soils with a low organic matter content such as dune and loess soils Vulnerability index E 0 20 TJ 20 40 ar mm 40 60 4 Em 60 80 E 80 100 Non arable Figure 25 Vulnerability of soils to the leaching of ordinary behaving pesticides Figures denote the class in the accumulated frequency distribution of the leaching concentration for example 50 means that half of the soils are more vulnerable Figure 26 and 27 show the effect of the number of zones on the 90 percentile of the leaching concentration PEC90 The first figure shows the effect of choosing a different crop the sec RIVM report 716601008 page 63 of 82 ond figure shows the effect of different substances Both figures show that after an initial start the fluctuations of the 90 percentile of the leaching concentration are generally small PEC90 of substance 5 in grass ug L 0 15 0 1 0 05 o o N 0 1000 2000 3000 4000 5000 6000 Number of zones 08 PEC90 of substance 5 in maize ug L 0 7 0 6 0 5 0 4 0 3 0 2 0 1 0 1000 2000 3000 4000 5000 6000 Number of zones 05 PEC90 of substance 5 in cereals ug t 0 4 0 3 0 2 0 1 0 1000 2000 3000 4000 5000 6000 Number of zones PEC90 of substance 5 in strawberries ug t 0 3 0
69. ler irrigation application to the crop canopy At the lower boundary of the soil system dispersive and diffusive fluxes of pesticide are as sumed to be zero In the case of infiltration of water from a deep aquifer the pesticide concen tration is set to zero Diffusion of pesticide vapor in the gas phase of the soil is included in the model which im plies that a description of pesticide volatilization at the soil surface is required In the current model version the diffusion of vapor through the soil and a laminar air boundary layer are the limiting factors for volatilization cf Jury et al 1990 2 39 r o r sv av Pov where Jp kg m d is the mass flux of pesticide volatilization Cg kg m is concentration of pesticide in the gas phase of the top layer rs d m is resistance of the soil boundary layer and ra d m is resistance of the air boundary layer The resistance s of the boundary layers are calculated by r and r 40 gt D gt D dif g a where d m is thickness of soil boundary layer Duis m d is the coefficient for diffusion of pesticide in the gas phase of the soil system d m is the thickness of the laminar air boundary layer and D m d is coefficient for diffusion of pesticide in air It should be noted that the current description of pesticide volatilization is subject to considerable uncer tainty particularly for surface applied pe
70. leration factor of almost 100 will then be reached To be able to run GeoPEARL on a grid system the model has a number of features l With the NumCPU parameter in the geo file you can specify the number of computers that you have available in your grid If for example you have 100 machines in your grid available then enter a value of 100 With the CPUID parameter you can specify a subrun Each subrun is assigned to a differ ent computer on a grid Consider the following example The total number of plots in the assessment is 6405 i e you want to run GeoPEARL for all plots in the schematisation Presume that you have set NumCPU to 100 then the first subrun CPUID 1 contains plot 1 to 64 the second subrun CPUID 2 contains plots 65 to 128 and so on RIVM report 716601008 page 59 of 82 An alternative method to specify the CPUID is by using the command line geopearl example 1 geo 1 calls the first subrun geopearl example 2 geo 2 calls the second subrun and so on Some tips when implementing GeoPEARL on a grid l Create input files for an assessment item using the normal procedure described in sec tion 3 1 Specify the number of computer that you have available in the grid system Use the Num CPU in the geo file for this purpose see above Copy all the input files to a shared directory which is accessible from both the grid ma chines and from your local machine You don t need to copy the input files to the
71. lliptic and 1 00 no drains present Seasonal variation of the bottom flux can be induced through a sine wave of the hydraulic head in the semi confined aquifer 4 q is calculated from an exponential flux groundwater level relationship Cauchy condi tion bg Vag gezag 17 gwl with ag m d and be m as empirical coefficients 5 Pressure head of the bottom soil layer specified as a function of time Dirichlet condition Zero flux at bottom of soil profile q 0 special case of Neumann condition 7 Free drainage of soil profile in which case unit gradient is assumed at the lower bound ary qp Kyumtay special case of Neumann condition 8 Lysimeter boundary condition Outflow only occurs if the pressure head of the bottom soil layer is above zero special case of Neumann condition D Lateral discharge of soil water Lateral discharge rates can be calculated for a maximum number of five local drainage sys tems e g drainage tiles and field ditches PEARL uses the following equation to calculate the flux to drainage system k D O dlak A 18 where qax m m d is the flux of water to local drainage system k Bz m is hydraulic head of drainage system k and ya d is drainage resistance In order to distribute the dis charge rates over the soil layers first a discharge layer is determined by considering a travel time distribution The most important assumption in this computational p
72. lls a batch file which is in a shared directory with the following name r user tiktaka geopearl_1 1 1 run_pearl cmd bsub q pearl J pearl 1 100 r user tiktaka geopearl 1 1 1 run pearl cmd The batch file contains the following information echo off rem Directory on network drive set GEODIR r user tiktaka geopearl 1 1 1 echo SGEODIRS echo Name of geofile compd geo set GEOFILE compd echo SGEOFILES rem Create output directory on network drive if not exist SGEODIRS SGEOFILES mkdir GEODIR GEOFILE rem Working directory on grid machine rem Variable LSB JOBID is automatically added by LSF It is a unique number rem added to avoid conflicts if more PEARL runs operate at the same grid machine rem The local variable LSB JOBINDEX is the number of subrun set WORKDIR TEMP geopearl 1 1 1 LSB_JOBID LSB_JOBINDEX echo SWORKDIRS oe rem Create working directory on remote machine if not exist SWORKDIRS mkdir SWORKDIRS rem Copy geo file This is the only file that needs to be copied from the rem network drive to the grid machine copy SGEODIRS SGEOFILES geo SWORKDIRS SGEOFILESSLSB JOBINDEX do geo rem Execute GeoPEARL for one single job index rem Model call expands to for example c localdrive bin geopearl compdl 1 ed d SWORKDIRS SGEODIR bin geopearl SGEOFILESSLSB JOBINDEX SLSB JOBINDEX de
73. m is solubility in water R J mol K is the molar gas constant and T K is the temperature PEARL describes the temperature dependence of both p which requires the molar enthalpy of vaporization AH J mol and Sw which requires the molar enthalpy of dissolution AH4 J mol AH 1 1 LI 52 Pys Bigr os R 3 T and AH 1 1 S S Ren 53 w wr os R gt T Here pysr Pa is the saturated vapor pressure at reference temperature T K and S kg m is the pesticide solubility in water at reference temperature The total concentration of pesticide in the equilibrium domain of the soil system kg m is given by c amp c 0c p X 54 where m m is volume fraction of the gas phase Cg kg m is concentration of pesticide in the gas phase 0 m m is volume fraction of the liquid phase cz kg m is concentration of pesticide in the liquid phase p kg m dry bulk density of the soil and Keg kg kg is RIVM report 716601008 page 77 of 82 pesticide mass content in the equilibrium phase The total concentration of pesticide in the non equilibrium phase kg m is given by c m PX ne 55 with Xe kg kg as the pesticide mass content in the non equilibrium phase Transformation of pesticide in soil Transformation of pesticides may lead to reaction products daughters that may show a certain degree of persis tence and mobility in soils For this reas
74. mes form is accessible from the main menu of the main screen View Application Schemes The entire events scheme can be repeated annually biennially or tri ennially using the application interval option at the main screen Event schemes Events can be added with the button of the navigator You can also copy an existing event scheme Event schemes should be given a unique code for reference and a description Use the Events button to define the individual events E GeoPearl Application Schemes 10 x M Browse Application Schemes Browse Absolute Applications iD Code Description Sd pae Oeser _ Perenete Type Jl 0 2 To the crop canopy inte E 1 GeoPEARL_01GeoPEARL application scheme 1 E 2 GeoPEARL_02 GeoPEARL application scheme 2 E g GeoPEARL 0 GeoPEARL application scheme 3 I 4 GeoPEARL 04 GeoPEARL application scheme 4 GeoPEARL_09GeoPEARL application scheme 5 wf m a gt H bsolut licati M Edit Application Scheme raand l Code GeoPEAR L_05 M Edit Absolute Application Description GeoPEARL application scheme 5 es Application type To the crop canopy intercepted fraction Date 07 Mar Dosage kg ha 1 1 4 Copy Fraction intercepted 05 Bit Comment Help Close Figure 10 The application schemes form 2 7 2 Applications Add a new event with the button of the navigator or copy an existing event In
75. model for daily evaporation from fallow tilled soil under spring conditions in a temperate climate Neth J Agric Sci 34 75 90 Bouten W 1992 Monitoring and modeling forest hydrological processes in support of acidification research Ph D thesis University of Amsterdam the Netherlands p 218 Braden H 1985 Ein Energiehaushalts und Verdunstungsmodell f r Wasser und Stoffhaushaltung suntersuchungen landwirtschaftlich genutzer Einzugsgebiete Mitteilungen Deutsche Bodenkundliche Ge selschaft 42 294 299 Calvet R M Terc and J C Arvieu 1980 Adsorption des pesticides par les sols et leurs constituents III Characteristiques g n rales de l adsorption des pesticides Ann Agron 31 239 257 Currie J A 1965 Diffusion within soil microstructure A structural parameter for soils J Soil Sci 16 279 289 Dao T H and T L Lavy 1978 Atrazine adsorption on soil as influenced by temperature moisture content and electrolyte concentration Weed Science 26 303 308 De Vries D A 1963 Thermal properties of soils In W R Van Wijk ed Physics of the Plant environment North Holland Publ Company Amsterdam the Netherlands p 210 235 Feddes R A 1987 Crop factors in relation to Makkink reference crop evapotranspiration In Evapo transpiration and weather Proceedings and Information 39 33 45 TNO Committee on Hydrological Re search The Hague the Netherlands Feddes R A P J Kowalik and H Zaradny 1978 Si
76. mplies that both the properties of the individual compounds and the transformation scheme have to page 24 of 82 RIVM report 716601008 be parameterized Both are accessible from the pesticides form Input must be carried out in the following order definition of the properties of the individual compounds definition of the transformation scheme This step can be ignored if only one compound is simulated At least one compound the parent compound must be introduced This compound will be applied deposited etcetera The user can make a compound a parent compound by checking the parent check box in the general tab of the substances screen see next section 2 6 1 Editing individual compounds The substances form consists of five tabs These tabs are described below GeoPEARL A GeoPEARL B Yes 300 Yes GeoPEARL C Yes 200 Yes a GeoPEARL MC GeoPEARL D es 300 Yes xi wl ele foil 4 General Freundlich sorption Transformation Diffusion Crop Code l GP_D IV Parent Name GeoPEARL D Molar mass g mol 1 300 Saturated vapour pressure Pa 0 001 measured at C 20 Molar enthalpy of vaporisation kJ mol 1 95 Solubility in water mg L 1 30 measured at C 20 Molar enthalpy of dissolution kJ mol 1 27 ER Copy a Transformation Scheme Figure 6 The substances form General tab In this tab the user enters the general compound properties A uniq
77. mulation of field water use and crop yield Simulation No mographs Pudoc Wageningen the Netherlands pp 189 FOCUS 2000 Focus groundwater scenarios in the EU pesticide registration process Report of the FOCUS Groundwater Scenarios Working Group EC document Herkelrath W N E E Miller and W E Gardner W E 1977 Water uptake by plants II The root contact model Soil Sci Soc Am J 41 1039 1043 Hornsby G H R D Wauchope and A E Herner 1996 Pesticide properties in the Environment Springer Ver lag New York Jarvis N 1991 MACRO A model of water movement and solute transport in macroporous soil Monograph Reports and dissertations 9 Dept of Soil Sci Swedish Univ Agric Sci Uppsala Sweden 58pp Jensen Jury W A D Russo G Streile and H E Abd 1990 Evaluation of volatilization by organic chemicals residing below the soil surface Water Resour Res 26 13 20 Kroes J G J C van Dam J Huygen and R W Vervoort 1999 User s Guide of SWAP version 2 0 Simulation of water flow solute transport and plant growth in the Soil Water Atmosphere Plant environment SC DLO technical document 53 Wageningen the Netherlands pp 127 Leistra M A M A van der Linden J J T I Boesten A Tiktak and F van den Berg 2000 PEARL model for pesticide behaviour and emissions in soil plant systems Description of processes Alrterra report 013 Al terra Wageningen the Netherlands Makkink G F 1957 Testing
78. n In PEARL the user can choose from two general methods to describe the dosage intro duced into the system 1 Pesticide losses above the soil system are estimated beforehand and the net load is intro duced directly into the soil system 2 The processes at the soil surface and plant surface are simulated in a simplified way Canopy processes When a pesticide is sprayed on a field grown with plants the nominal dosage has to be dis tributed over the plant canopy and the soil surface Aip SC Aay 22 and As 1 SC A 23 where Aas kg m is the areic mass of pesticide applied to the field Aap kg m is the areic mass of pesticide applied to the crop canopy Ay kg m is the areic mass of pesticide de posited on the soil and SC is the fraction of the soil surface covered by the crop All areic masses are expressed per m field surface Methods are being developed for more targeted spraying on plants or on the soil surface so the soil cover fraction may not be appropriate In this particular case the fraction of the dosage that is deposited onto the crop canopy can be introduced by the user The following processes are described at the plant surface i volatilization into the air 11 penetration into the plant iii transformation at the plant surface and iv wash off via rain fall The first three processes are described by first order kinetics RIVM report 716601008 page 71 of 82 Rok A k 4 rk A 24
79. nce pH 7 Exponent for the effect of liquid 0 7 Molar activation energy kJ mol 1 54 ER Copy g Transformation Scheme Help Close Figure 8 Input screen for soil dependent transformation parameters The pedotransfer function for transformation contains parameters for the dependence on the clay fraction FacDT50Clay the organic matter fraction FacDT50Om and the pH of the soil FacDT50pH The overall DT5 under reference conditions is taken to be a linear com bination of the three components Notice that the factors in the pedotransfer function have a unit namely day All fields must be filled enter zero when the transformation is independent of a particular soil component The user must also specify reference conditions for each of the three components see eqn 62 i e FraClayDT50Ref CntOmDT50Ref and pHDT50Ref Be careful that the reference conditions are entered as fractions for clay and organic matter con tent not as percentages Finally you may specify the minimum DT50Min and the maximum page 28 of 82 RIVM report 716601008 values DT50Max for the half life the model will use these values if the results of the calcu lations are beyond the range of these limits In this way you can prevent GeoPEARL from extrapolating outside the range for which the pedotransfer function is valid In the lower part of the tab the user must specify whether the incubation experiment has been
80. nder tenminste 90 van het oppervlak waarop het middel zal worden verbruikt Om dit critertum te kunnen toetsen is het model GeoPEARL ontwikkeld Dit model zal een centrale rol gaan spelen in het nieuwe toelatingsbeleid Dit rapport bevat een handleiding van het model met nadruk op de nieuwe registratieprocedure Het rapport dient te worden gebruikt in combinatie met rapport 601450019 dat de nieuwe beslisboom beschrijft Trefwoorden bestrijdingsmiddelen registratie uitspoeling modellering GeoPEARL hand leiding page 4 of 82 RIVM report 716601008 RIVM report 716601008 page 5 of 82 Abstract Recently the Netherlands has adopted a new decision tree for evaluating the leaching poten tial of pesticides specifically to see if the concentration in groundwater exceeds the EU drink ing water limit of 0 1 ug L The spatial criterion in the new decision tree states that the long term average concentration of a pesticide or its relevant metabolites should not exceed the drinking water limit for at least 90 of the surface area where the pesticide is potentially used A spatially distributed model GeoPEARL has been developed to scientifically test the above criterion GeoPEARL will play a key role in the new Dutch decision tree The aim of this report is to provide a guideline on the use of GeoPEARL with special emphasis on the Dutch registration procedure This report should be used in combination with RIVM report no 601450019 wh
81. nputs Where necessary changes can be made Step 5 Running GeoPEARL Press the Calculate button on the main screen to actually run the model The actual run time for the model is hard to predict as it depends on the hardware the number of assessment items and the number of plots that you have included Anyhow a typical GeoPEARL assess ment will take at least five hours We therefore recommend to use state of the art hardware only When an assessment is ready you will see the Results column changing to Yes If something has gone wrong the Error button will become active Step 6 Review results Press the Report button to review the summary report This report contains amongst oth ers the 90 percentile of the leaching concentration at the area of use which is the target variable in the Dutch registration procedure Press the Graphs and Maps button to view maps of the leaching concentration maps of terms of the substances balances etcetera 2 4 The projects form The project form can be accessed from the main screen see section 2 5 The projects form allows you to organize your data Existing projects can be selected in the browse box upper part of form The navigator allows you to create or delete projects An appropriate descrip tion can be added in the edit part 2 5 The main screen This form figure 5 is the central point from where you can access the different tables of the database run the wizard and revi
82. o be included in the simulation The following columns contain the code for each individual parent or daughter compound Be sure that all names and codes match names and codes in the substances and applications files re spectively example CompoundProperties File with compound properties example ApplicationSchemes File with application schemes Substances and application scheme A run is made for each substance included Column 1 Pesticide code must be included in CompoundProperties file Column 2 Application code must be included in Applications file Column 3 Compound codes included in run first the daughter gt table Runs NLA springsurface NLA1 NLA2 end table 3 6 5 Specification of the spatial schematisation The following sections of the geo file contains references to the files with spatially distributed parameters Jn standard applications these sections do not need editing References must be made to the soils file SoilDatabase the file with crop related evapotranspiration data Crop Database the weather files MeteoStations the file with data on the lower boundary condi tion of SWAP GroundwaterSystem and the file with parameters of the local drainage system DrainageSystem The position of all these files must be specified in the SchematisationDir see also page 46 Soil information files must be stored in soil directory holland SoilDatabase Soil database Crop information file must b
83. of major input variables run the model display a summary report containing percentiles of the leaching concentration display output maps generate graphics files which can be imported in for example Word page 18 of 82 RIVM report 716601008 2 1 Database structure In order to organize the data efficiently the data are stored in a relational database Figure 2 shows how the data are organized in this database Notice that the structure of the database has much in common with the structure of the FOCUS PEARL database see Tiktak et al 2000 figure 19 As shown in later sections of this manual the screens of the GeoPEARL GUI have the same set up as the database Project vien Assessment did 1 n 1 1 Model control Assessment Substance number of plots iiem to be included in assessment Parents and Crop for Repeat Annual metabolites whicha interval Application registration of application scheme is asked Application event General substance Sorption Transformation Diffusion related Crop related properties parameters parameters parameters parameters Figure 2 Overview of the GeoPEARL database Only parameters that can be changed by the user are included in the diagram Like the FOCUS PEARL database the GeoPEARL database has a hierarchy The highest level of the database is the project level Here the user can gro
84. of the file with information on crop areas per plot The extension of this file is unc NumZone The number of zones Although the minimum number of zones is 10 at least 250 zones must be used for reliable results see chapter 4 Choosing a lower resolution should only be done when performing a quick scan runs with a low resolution are not ac cepted for the final registration ThresholdArea Plots with a crop area below this threshold are not included in the simula tions The default setting is 0 01 ha ha OptPlotSelection Method for allocation of plots to zones If option Rank is chosen plots are aggregated on the basis of their relative vulnerability index see page 62 If op tion Neighbour is selected adjoining plots are put together Option Rank performs best for ordinary substances otherwise the Neighbour option should preferably be selected SwapMisFile In a number of cases the SWAP model may not reach convergence Plots where this happens are so called swap missers These swap missers can be specified in this file and are skipped holland Plots Plot file plo file must be in plot directory Automatic OptPlotList Plot list Automatic Manual Generate Only I gn ee Es ince lah Mec en eh Sd Dn a aah es ee elt iol eal EE neh iy PSG Dre en eats Se Net ae th il nah ch ter wlth ve a Sl ge MRE ah ian ed dn econ a tle te ae eT E If OptPlotList Manual example PlotListFile File with plots to
85. ofFreEal ER Copy a Transformation Scheme Figure 7 The Freundlich tab of the substances menu page 26 of 82 RIVM report 716601008 For the moment this option is restricted to parameters that are available in the soil database distributed with GeoPEARL i e soil texture soil organic matter and sesqui oxide content The Freundlich coefficient is now calculated with eqn 45 If OptCofFre is set to Kom pH independent only one additional parameter has to be intro duced i e the coefficient for sorption on organic matter Komeq KomEal If OptCofFre is set to Kom pH dependent two coefficients for sorption on organic matter must be specified section 3 2 8 of FOCUS PEARL manual i e KomEqlAcid Kom eg ac and KomEq Base Kom eq ba In addition the negative logarithm of the dissociation constant pKa and a pHCorrection are required If OptCofFre is set to Kom soil dependent you can relate the Freundlich sorption coeffi cient to one or more soil components i e organic matter sand silt and sesqui oxides The overall sorption coefficient is a linear combination of the contributions of the components eqn 45 For each soil component you must specify a sorption coefficient i e KomEql for sorption on organic matter KSandEql for sorption on sand KSiltEq for sorption on silt KClayEgl for sorption on clay and KOxEq for sorption on sesquioxides You also must spec ify the contribution not acc
86. on the formation and behavior of the most important daughters is in cluded in PEARL The first step in the definition of the reaction scheme is to set up the list of compounds that will be considered The second step is the definition of the pathways of pesticide transformation Consider the exam ple shown in Figure 31 The reaction scheme presented in Figure 31 can be represented in matrix notation as shown in Table 2 This example shows that a compound may transform into various products and that they may be formed from more than one precursor compound 50 Non specified products 100 90 40 Product 1 Product 2 10 Product 3 Figure 31 Example of a reaction scheme of a pesticide Table 2 Example of a matrix which represents the reactions between one parent and three reaction products A value of zero indicates no interaction Parent Product 1 Product 2 Product 3 Parent 0 0 0 3 0 2 0 0 Product 1 0 0 0 0 0 0 0 1 Product 2 0 0 0 0 0 0 0 6 Product 3 0 0 0 0 0 0 0 0 In PEARL 2 2 2 the rate of transformation of a precursor parent is described by a first order rate equation R k ok 56 t par t par eq par in which Rj par kg m d is the rate of transformation of the parent pesticide kipar d is the transformation rate coefficient and c eq par kg m is the concentration of the parent pesticide in the equilibrium domain of the soil Notice that pe
87. on of unrealistic zero or negative transformation rates in soils with extreme properties Such results are due to extrapolation of experimental results The three factors may act separately but also in combination During the simulation the model further corrects for actual soil temperature soil moisture and depth in the soil profile accord ing to the normal procedure described in Tiktak et al 2000 Figure 32 gives an example of the relationship between pH and half live as introduced with equation 62 DT so plot 40 30 20 10 4 5 6 7 8 pH Figure 32 Half live as a function of pH as introduced with equation 62 In this case the half live is dependent on pH only and maximum and minimum values have been set In contrast to the sorption process the dependence of transformation rates on soil properties is described with simple empirical relationships This rather pragmatic approach has been cho sen for several reasons First the proposed relationships are compatible with most of the rela tionships reported in the literature which are often linear combinations of relationships with basic soil properties higher order interactions are not often reported Secondly the relation ships are intended for use in spatially distributed models which implies that all soil properties should be available in general soil information systems Organic matter clay and pH are page 80 of 82 RIVM report 716601008 amongst the most commonly report
88. on organic matter PEARL contains a description of the sorption of weak acids which is pH dependent M ba pH pKa ApH Kine Ken M 10 Ke Mon a 43 1 M pa 1 QPH PKa ApH ac where Kom eq ac m kg is the coefficient for sorption on organic matter under acidic condi tions Kom eq ba m kg is the coefficient for sorption on organic matter under basic condi tions M kg mol is molar mass pKa is the negative logarithm of the dissociation constant and ApH is a pH correction factor See Leistra et al 2000 for the derivation of this equation At low pH values sorption is dominated by the neutral molecule the exponent in equation 43 becomes negative almost eliminating the second term at the right hand side while the de nominator approaches one In contrast at high pH values the denominator becomes large thereby eliminating the contribution of the neutral molecule The anions are repelled by the negative charge of the surfaces of organic matter and clay minerals so sorption is often low However the anions may show some residual sorption due to hydrophobic interactions be tween a more hydrophobic part of the molecule and organic matter Equation 43 can also be used for weak bases where the protonated species is more strongly sorbed than the neutral molecule In equation 43 an additional term ApH or pH shift is included to account for dis crepancies between experimental conditions in sorption tests and the condition
89. ons with stakeholders have triggered some model modifications Also the PEARL team has developed the GeoPEARL User Inter face which gives easy access to data and model With the release of this model version GeoPEARL becomes accessible to a broad public GeoPEARL makes use of results obtained in related projects The spatial schematisation was created within the framework of the STONE project a co operation of Alterra RIZA and RIVM The PEARL team acknowledges the participants to the stakeholder meetings for stimulating discussions and suggestions for improvements The group consisted of the follow ing individuals alphabetical order Andr Bannink VEWIN Adi Cornelese CTB Dominique Crijns VROM Gerhard G rlitz Bayer Cropscience Her de Heer LNV Peter Leeuwangh Ecotox Minze Leistra Alterra Jan Linders RIVM Marianne Mul UvW Jo Ottenheim LTO Werner Pol CTB Leo Puijker KIWA Jan de Rijk VROM Wim Stegeman DuPont Paul Sweeney Syngenta Jan Renger van de Veen BASF Anja Verschoor RIVM page 8 of 82 RIVM report 716601008 RIVM report 716601008 page 9 of 82 Contents Samenvatting 11 Summary 13 1 Introduction 15 2 User s guide of the GeoPEARL User Interface 17 21 Database structure 18 2 2 Installation of the GeoPEARL User Interface 19 2 3 Getting started with the GeoPEARL User Interface 20 2 4 The projects form 22 23 The main screen
90. ounted for by any soil component the constant of the linear re gression equation KFEql0 You must enter a value in each of the boxes enter a value of zero if there is no contribution of that particular soil component The Kom on this screen is stored at the same location in the database as the Kom possibly entered via the screen of the option Kom pH independent that value will be overwritten The second part of the Freundlich tab contains two parameters The reference concentration in the liquid phase ConLigRef must be within the concentration range of the simulation study Its default value is 1 mg L The Freundlich sorption exponent n ExpFre is also required Non equilibrium sorption is described with equation 47 This equation requires two addi tional parameters i e the desorption rate coefficient ky and the factor describing the ratio KrnelKr eg Where KF ne is the Freundlich coefficient at the non equilibrium site and Kre eq is the Freundlich coefficient at the equilibrium site FacSorNeqEq The desorption rate coefficient should be specified in the CofRatDes record Please notice that non equilibrium sorption will not be simulated if CofRatDes is set equal to zero See further section 3 2 7 of FOCUS PEARL manual The transformation tab In this tab the user has to specify parameters that affect the transformation rate of the com pound The transformation half life time must be input in the half life field DT50Ref T
91. p by the user These files are given an orange color in figure 18 and stored in the schematisation directory Output files blue color which are stored in the output directory The position of all files can be changed see further page 46 This report describes the green and blue files only as these are the files that are relevant for standard applications A descrip tion of the other files can be found at the PEARL website http www pearl alterra nl BES Control file F Plot definition geo Substance properties plo 3 cmp Weather files Application schedules met app Soil profiles ee Plot list lis GeoPEARL ET parameters crp Output control ctr Lower boundary condition Ibo Crop area per plot unc Drainage system dra Leaching concentration K foc wsb Daily output csb wtb day cfb Water balances Substance balances Figure 18 File structure of GeoPEARL Files with a green color are stored in the assessment direc tory files with an orange color in the schematisation directory Only files with a green color need edit ing 3 3 Creating an assessment with multiple assessment items As described in section 2 1 a GeoPEARL assessment is carried out for a single substance but may consist of several so called assessment items Assessment items are combinations of a crop for which a registration is asked and an application sch
92. pacities of the individual components Table 1 gives an overview of the volu mic heat capacity for the individual soil components The volume fractions of sand clay and organic matter are calculated from the mass percentages of sand clay and organic matter which are input to the model The thermal conductivity is calculated according to the proce dure described by Ashby et al 1996 which accounts for both soil composition and soil ge ometry page 70 of 82 RIVM report 716601008 Table 1 Volumic heat capacity and thermal conductivity of the individual soil components after Van Dam et al 1997 Component Volumic heat capacity Thermal conductivity Jem K J cm K d Sand 2 128 7603 Clay 2 385 2523 Organic matter 2 496 216 Water 4 180 492 Air 293 K 1 212 22 The upper boundary condition for the soil heat flow model is the daily average air tempera ture Tair K the lower boundary condition is a zero flux boundary condition The heat flow equation is solved using a numerical method 5 3 Pesticide fate Pesticide application Various factors affect the fraction of the dosage that is introduced into the soil system During spraying a fraction of the nominal dosage may be intercepted by the crop canopy A part of the nominal dosage may drift from the field to adjacent ditches and fields Another part may dissipate at the soil surface by processes like film volatilization and photochemical transfor matio
93. pare the input file for the percentiles program refer to all the items Run the percentiles program once to get the 90t percentile of the leaching concentration at the area of usage Figure 19 Performing an assessment with multiple assessment items with the stand alone version of GeoPEARL 3 4 Adding and editing substances Substance properties must be specified in the file with extension cmp step 4 of Getting Started The substances file contains exactly the same information as the compound proper ties section of the PEARL input file as described in section 4 2 9 of the FOCUS PEARL page 42 of 82 RIVM report 716601008 user manual For detailed information on substance properties the reader is referred to this manual The substances file consists of two sections A section containing generic substance properties This section contains default parame ters These defaults can be overwritten by including them in the second substance spe cific section A section with substance specific properties Below follows a listing of the generic part of the substances file Please note that the sub stance properties in this section do not have substance extensions Default substance parameters Parameters can be overwritten by including them into the compound section of the relevant pesticid Gas liquid partitioning parameters 20 0 TemRefVap C measured at 0 40 95 0 olEntVap kJ mol 1
94. plies that Repeated applications should be simulated by setting DelTimEvt in the control file to 1 2 or 3 page 45 The simulation length must be 26 46 or 66 years depending on the value of DelTimEvt The simulation length is controlled by the variable TimEnd which should be set to 31 Dec 1926 31 Dec 1946 or 31 Dec 1966 The initialization period must be six years The length of the initialization period is con trolled by the variable IniYears page 47 RIVM report 716601008 page 55 of 82 The foc files contain the following columns 1 Plot The plot number 2 Substance Name of substance 3 Application Name of application scheme 4 Cmp Compound code 5 Perc Percentile with respect to weather conditions 6 Year The year 7 ConLea Leaching concentration at target depth ug L 1 In contrast to the European registration procedure where 80 percentile of the leaching con centration is selected the target percentile for the Dutch registration procedure is the 50 percentile i e the median value Link between zones and plots crf file As specified before GeoPEARL can aggregate plots to larger computational units called zones Within each zone the largest plot dominant plot is assumed representative for the entire zone Calculations are carried out for the dominant plot only When making graphs or regional scale substance and water balances the user needs a link between the zone number and the plot number This link
95. r the minimum half life 85 days for the maximum half life 500 days for the PTF factor for organic matter fom 0 05 kg kg for the reference organic matter Mom r 0 for the other PTF factors and reference conditions f my foo and pH In a soil containing with an organic matter content of 0 01 GeoPEARL will use a half life of 40 days for the top soil at 20 C and pF 2 according to eqn 62 40 60 500 0 01 0 05 The diffusion tab The diffusion coefficients of pesticides in pure water CofDifWatRef and air CofDifAirRef are compound properties and must be specified in the diffusion tab Parameters for the rela tive diffusion coefficient are soil dependent and cannot be manipulated by the user The diffu sion coefficients are temperature dependent The user can specify one reference temperature which applies to both the diffusion coefficient in air and the diffusion coefficient in pure wa ter TemRefDif The crop tab GeoPEARL has modules to simulate canopy processes and root uptake Both modules have to be parameterized in this tab As the transformation scheme Figure 31 applies to products formed in soil the canopy proc esses module considers the parent compound only Processes that occur at the plant canopy RIVM report 716601008 page 29 of 82 are volatilization penetration into the plant and photochemical transformation page 67 These processes are described with first order rate
96. reactions The user can make a choice be tween a lumped description of the processes at the crop canopy or a full description of dissi pation canopy processes combo box OptDspCrp If set to Specified the user must specify the half life due to penetration DT50PenCrp volatilization DT50VolCrp and transforma tion DT50TraCrp If set to Lumped an overall half life DT50DspCrp is sufficient The wash off of pesticides is described with a zero order equation with one parameter FacWasCrp The only parameter in the equation for uptake of pesticides eqn 63 is the coefficient for the uptake by plant roots FacUpt See further section 3 2 11 of FOCUS PEARL manual 2 6 2 The transformation scheme form After the user has defined the properties for all individual compounds section 2 6 1 to be considered in the simulation the transformation scheme table FraPrtDau can be build The transformation scheme form can be accessed from the substances form using the transforma tion scheme button Before proceeding read section 3 2 1 of FOCUS PEARL manual for guidance on deriving transformation fractions and look at Figure 31 for an example of a trans formation scheme Information about formation products and fractions must be entered for each compound con sidered If for example the user has defined one parent product PEST and two metabolites e g MET1 and MET2 the transformation scheme form must be entered three tim
97. red to as GeoPEARL has been developed GeoPEARL calculates the leaching of a pesticide and its metabolites to the uppermost groundwater for the area of use The most important result for the Dutch pesticide registration procedure is the 90 areal percentile of the median leaching concentration over a period of 20 years Further background information on the new decision tree on leaching can be found in RIVM report 601450019 Van der Linden et al 2004 This report contains a user manual of GeoPEARL 1 1 1 with special emphasis on the Dutch registration procedure Background information on GeoPEARL including the theory can be found in the earlier RIVM report 716601007 Tiktak et al 2003 In some parts of this document reference is also made to the manual of FOCUS PEARL 1 1 1 Tiktak et al 2000 This pertains particularly to the guidance on the derivation of pesticide properties It is therefore essential that both documents are available All documents are available at the RIVM website http www rivm nl and the PEARL website http www pearl alterra nl The manual consists of two parts In section 2 the Graphical User Interface is described The Graphical User Interface gives easy access to the most important components of GeoPEARL like the generation of input files model execution output processing and generation of the most important output maps and tables Most users will use the GUI version of GeoPEARL only Section 3
98. rem Clean up CO ss rmdir s q SWORKDIRS For more information on the Platform LSF system refer to www platform com RIVM report 716601008 page 61 of 82 4 Procedure for plot selection As mentioned in chapter 2 3 of the GeoPEARL manual the total run time of GeoPEARL is unacceptably long if all 6405 plots are included in a leaching assessment The model therefore contains procedures to reduce the number of plots that must be included in a leaching study Correct application of these procedures guarantee that the 90 percentile of the leaching con centration at the area of potential usage is hardly affected This appendix describes the proce dures and gives guidelines for correct application of these procedures 4 1 Methodology Reduction of the number of plots is done through a so called slice operation During this operation the total range of plots is sliced into a number of so called zones that each has an equal number of plots After having the slice operation completed the plot with the largest area of potential usage the dominant plot is selected to represent the entire zone Only those plots that are relevant for an assessment are included in the slice operation which implies that only those plots are included at which the potential area of usage is unequal to zero Consider the following example in which a range of 18 relevant plots is sliced into five zones Plots Zones 1 y g 12 13
99. rocedure is that lat eral discharge occurs to parallel equidistant water courses distance Ly m See chapter 10 1 RIVM report 716601008 page 69 of 82 in Van Dam et al 1997 for details Within this discharge layer the lateral drainage from soil layer i to local drainage system k Raz is calculated with the equation _ dax K Az Renes yes 19 va Az EK Az The total lateral drainage is calculated by summing the lateral drainage for all local drainage systems Fret I net phreatic surface avg column semi confining layer resistance Yaqt bot aquifer Figure 30 Pseudo two dimensional Cauchy lower boundary condition in case of drainage to ditches Van Dam et al 1997 5 2 Heat flow The model Swap Van Dam et al 1997 calculates conductive transport of heat in soil OC T 7 pz 20 ot zl Oz where C J m K is the volumic heat capacity T K is temperature and J md K is the effective heat conductivity The volumic heat capacity is calculated as the weighted mean of the heat capacities of the individual soil components De Vries 1963 C O Cona Oo Com 8am om TOC EC 21 sand sand clay clay om om where Osand Oclay Oom and 0 m m are the volume fractions of sand clay organic matter and water m3 m gt is the air filled porosity and Cyand Cetay Com Cw and Ca J m K are the volumic heat ca
100. s for which one wants to calculate the leaching of a substance The pH of the soil is dependent on the way it is RIVM report 716601008 page 75 of 82 measured Several methods exist of which the most obvious differences between the methods are the composition and the concentration of the solution used to prepare the slurry usually H20 KCl or CaCl It is likely that the concentration of exchangeable cations and the way in which the pH is measured affect the pH value obtained The sorption of some pesticides cannot be described with the organic matter equilibrium con stant This is particularly true for those pesticides that sorb preferentially on clay and oxides FOCUS PEARL 2 2 2 has an option to make the sorption dependent on depth K F eq Jig regs 44 where Keegy m kg is the Freundlich coefficient in the topsoil and 4 is an empirical depth effect factor In the case of GeoPEARL this option is not practical as the depth de pendence of sorption should be specified for each individual soil profile included in the simu lations Therefore an option is included in GeoPEARL to relate the sorption to other soil characteristics than organic matter For the moment this option is restricted to parameters that are available in the soil database distributed with GeoPEARL i e soil texture soil organic matter and sesqui oxide content The overall sorption is described with an equation analo gous to equation 42 Kpa K m K
101. s to Low the program will run in background you can then continue working on other projects without problems During program execution you should not log off If you use Windows XP however you may switch users The pro gram can be aborted any time by entering CNTRL Break If you have set OptAppend to Yes you can restart where you ended 3 7 1 Troubleshooting The following message appears x Cannot find the file bin pearlmodel or one of its components Make sure the path and filename are correct and that all required libraries are available Check if the call is correct Did you give the proper directory name Please remember that GeoPEARL and its components are in the bin directory The program immediately terminates with the message Stop Illegal run Id no error file generated Check if the reference to the geo file is correct Is the name correct Is the di rectory correct The program will also terminate if you have installed GeoPEARL in a di rectory that has a name with spaces The program starts but seems to stop immediately without further notice In this case get the error message from the error file and correct the error The error file is in the output di rectory and has extension err The program starts running PEARL However each PEARL run is stopped immediately and you will hear a large number of beeps Handle as follows Abort execution of GeoPEARL by typing CNTRL Break Read the error file and
102. sticide residing in the non equilibrium page 78 of 82 RIVM report 716601008 domain is not transformed The rate of formation of a daughter from a parent R pardau kg m d is subsequently calculated by M a R 57 Renee x par dau t par M par where X par daugher is the molar fraction of parent transformed to daughter and M kg mol is the molar mass The rate of pesticide transformation in soil depends on the temperature soil moisture content and the depth in soil k SSnb ake 58 where f is the factor for the effect of temperature fm is the factor for the effect of soil moisture fy is the factor for the effect of depth in soil and k d is the rate coefficient at reference conditions which is calculated from _ In 7 DT 50 r 59 where DTs0 d is the half life of the pesticide in the well moistened plough layer at refer ence temperature The effect of temperature on the pesticide transformation rate is described by the Arrhenius equation oof o where E J mol is molar activation energy R J mol K is the molar gas constant and T K is temperature The Arrhenius equation is assumed to be valid from 5 to 35 C Above 35 C the factor for the effect of temperature is kept constant At temperatures below zero the factor for the effect of temperature is set to zero Jarvis 1994 This implies that no pesti cide transformation is simulated in frozen soil Th
103. sticides where initial volatilization is hardly limited by the soil boundary layer For this reason at present research aimed at improving the sub page 74 of 82 RIVM report 716601008 model for pesticide volatilization is being carried out See Leistra et al 2000 for further considerations Partitioning over the three soil phases The sorption of pesticide on the soil solid phase is described with a Freundlich equation Both equilibrium and non equilibrium kinetic sorption are considered Equilibrium sorption is described by the equation N C Xa T K F gl Ly e 41 Cyr in which Xa kg kg is pesticide content in the equilibrium sorption phase Krea m kg is Freundlich coefficient for the equilibrium sorption phase cz kg m is concentration in the liquid phase cz kg m is reference concentration in the liquid phase and N is the Freund lich exponent Notice that a particular type of Freundlich equation is used in the model by introducing the reference concentration The advantage of this type of equation is that the unit of the Freundlich coefficient becomes independent of the exponent The Freundlich coefficient may depend on various soil properties such as organic matter con tent oxide content and pH For most pesticides the following equation is appropriate Kp eq Moy K 42 om eq where Mom kg kg is mass content of organic matter in soil and Kom eq m kg is the coef ficient of equilibrium sorption
104. stribution of the median leaching concentration In contrast to the graph in previous section this graph pertains to a single crop only cumulative frequency distribution of the 20 50 and 80 percentile in time of the leach ing concentration maps of the leaching concentration maps of terms of the water balance A schematic overview of the water balance is pre sented in figure 20 maps of terms of the substance balance A schematic overview of the substance balance is presented in figure 21 All maps are presented with five classes all classes have the same area automatic legend scaling In the case of the leaching concentration it is also possible to create a map with pre set classes The advantage of a map with preset classes is that the trigger concentration of 0 1 ug L is clearly visible LI x Echo of Input Area of Use Area of Crop p l Assessment Total Agricultural Area Substance Focus compound 4 Crop Total Agricultural Area he Application SpringSurtace Graph Cumulative frequency of leaching concentrations Graph Cumulative frequency 20 50 en 80 percentile of leaching concentrations C Map Leaching concentrations Legend classes of equal area C Map Leaching concentration Preset legend classes C Map Water variable Actual soil evaporation x Map Compound variable Areic mass applied to the soil system x Figure 16
105. t the substance properties page 41 5 Add anew application schedule to the applications file and edit it page 44 6 Edit the geo file a Specify the directory structure page 46 b Specify the control options of GeoPEARL page 46 c Specify the required spatial resolution and the crop for which a registration is re quested i e plot selection page 47 d Specify the substance and application schedule page 49 e Request additional detailed output optional page 50 7 Run the model page 50 8 GeoPEARL creates a number of output files containing the substance and water balances and percentiles of the leaching concentration page 51 9 Use the percentiles exe executable to calculate the 90 percentile of the leaching con centration and generate maps 10 The tables can be imported in EXCEL for additional calculation or in a Geographic In formation System to generate maps and regional scale substance and water balances page 57 page 40 of 82 RIVM report 716601008 32 File structure Figure 18 gives an overview of all files types Each file type has its own extension the exten sion may not be changed There are three groups of files Files that need to be edited in standard applications These files are given a green color in figure 18 and are stored in the example directory Files that contain the spatially distributed parameters These files should not be changed unless a new spatial schematisation is set u
106. tabase that was in use when shutting down RIVM report 716601008 page 39 of 82 3 User s guide of the command line version of GeoPEARL This section describes the command line version It is described how the model can be ap plied to applications in which the user primarily wants to change the substance properties and the application schedule You will see that the steps for running the stand alone version of GeoPEARL are almost the same as the steps to be followed when using the GeoPEARL User Interface This manual is dedicated to the Dutch application If you want to use GeoPEARL for other countries you first have to create a new spatial schematisation Once done the steps are exactly the same as in the Dutch application 3 1 Performing an assessment with the stand alone version 1 Install GeoPEARL according to the instructions in section 2 2 2 Download the geopearl 1 1 1 ascii exe self extracting archive from the PEARL web site to get the input files for the stand alone version of GeoPEARL Put the files prefera bly into a directory without spaces 3 Copy the contents of the Example directory to a new directory Assign a unique directory to each assessment You can alternatively copy assessments from the GeoPEARL User Interface see section 2 14 for directory structure Files generated by the GUI do how ever not have comment lines and are more difficult to understand 4 Add a new substance to the compounds file and edi
107. the Penman formula by means of lysimeters J Inst Water Eng 11 277 288 Millington R J and J P Quirk 1960 Transport in porous media In F A van Beren et al Trans Int Congress Soil Sci Soc 7 Volume 1 Madison WI Elsevier Amsterdam the Netherlands p 97 106 Monteith J L 1965 Evaporation and environment Proc Symp Soc Exp Biol 19 205 234 Tiktak A and W Bouten 1992 Modeling soil water dynamics in a forested ecosystem III Model description and evaluation of discretization Hydrol Proc 6 455 465 Tiktak A A M A van der Linden and I Leine 1996a Application of GIS to the Modeling of Pesticide Leach ing on a Regional Scale in the Netherlands In D L Corwin and K Loague Ed Application of GIs to the Modeling of Non Point Source Pollutants in the Vadose Zone SSSA Special Publication number 48 pp 259 281 page 82 of 82 RIVM report 716601008 Tiktak A F van den Berg J J T I Boesten M Leistra A M A van der Linden and D van Kraalingen 2000 Pesticide Emission Assessment at Regional and Local Scales User Manual of FOCUS PEARL version 1 1 1 RIVM report 711401008 RIVM Bilthoven the Netherlands Tiktak A D S de Nie A M A van der Linden and R Kruijne 2002 Modelling the leaching and drainage of pesticides in the Netherlands The GeoPEARL model Agronomie 22 373 387 Tiktak A A M A van der Linden and J J T I Boesten 2003 The GeoPEARL model Model description appli ca
108. the lower half of the screen the event has to be further defined First define the application type appli cation to the soil surface AppSolSur injection AppSollnj incorporation AppSolTil or application to the crop canopy interception fraction supplied by the user AppCrpUsr Then enter the date and the dosage Normal date format can be used The year is not required RIVM report 716601008 page 31 of 82 as GeoPEARL always repeats the entire application scheme annually biennially or trienni ally In the case of injection or incorporation you must additionally supply the incorporation or injection depth 2 8 Composing an assessment with the Assessment Wizard As described in section 2 1 an assessment is the basic entity of GeoPEARL An assessment is carried out for a single substance and for one or more assessment items which are combina tions of crops and application schemes Assessments are composed using the Wizard button on the main screen You can compose an assessment after the substance and the application schemes that you want to use in your GeoPEARL calculations are defined After selecting the assessment wizard the following screen appears x M Assessment Assessment Name Assessment 92 Number of Plots 250 m Substance Substance Name GeoPEARL D 5 Cancel Back Next gt Figure 11 First screen of the assessment wizard Type the name of the assessment and define th
109. the results The five steps are elaborated in a little bit more detail below Step 1 Add or edit a substance To create a new substance do the following from the main screen select View Substances from the drop down menu at the top to go to the Substances form click on the navigator to add the parent substance the following properties must always be specified by the user in the General tab specify a unique code a name the molar mass the saturated vapor pressure and the solubility in water inthe Freundlich sorption tab specify the coefficient for sorption on organic matter inthe Transformation tab specify the substance half life if necessary repeat the last two steps for the metabolites if metabolites are involved build the transformation scheme Click Close when all done to return to the main screen More information on editing substance properties can be found in section 2 6 Step 2 Add or edit one or more application scheme s To create a new application scheme do the following from the main screen select View Application Schemes from the drop down menu at the top to go to the Application Schemes form click on the navigator of the Application Schemes box left hand side of form to add an application scheme fill in a unique code and a name click on the navigator of the Applications box to add an application Select the type of application and fill in t
110. tion 0 14 If the sorption coefficient is made dependent on other soil parameters OptCof Fre GeoPEARL the following parameters must be included in the substance section see page 26 for further explanation 0 02 ik 0 0 5 0 0 If the half life is made dependent on soil type the following parameters KFEql0 H KomEql H KSandEgl H KSiltEgl H KClayEql H KOxEql H Regression Coef eql Coef eql Coef eql Coef eql Coef eql 0 1e9 org matter 0 1le9 sand 0 1le9 silt 0 1e9 clay 0 1e9 oxides 0 1le9 coefficient sorption on sorption on sorption on sorption on sorption on must be included in the substance specific section see page 28 for further explanation These parameters must be included to the corresponding compound section if DT50 is calculated with a pedotransfer function OptDT50 Replace pest by the appropriate compound name 5 0 200 0 200 0 100 0 1000 0 0 05 2 50 7 0 FacDT500m_G CntOmDT50Ref G FacD pHDT50Ref G DT50Min G DT50Max G FacDT50Clay G FraClayDT50Ref G d d d a rS0pH_G a Minimum ha Maximum ha Factor in Reference Factor in Reference Factor in Reference 3 5 Adding and editing application schemes Calculate lf life lf life PTF for DT50 lay content TF for DT50 rganic matter content TF for DT50 pH c P o P Application schemes must be specifie
111. tion GeoPEARL B 50 No No 165 No 3 3 Types of application GeoPEARL B 50 No No 166 No 3 4 Types of application GeoPEARL F 50 No No 167 No 4 1 Sorption options GeoPEARL E 50 No No 168 No 4 2 Sorption options GeoPEARL F 50 No No 163 No 4 3 Sorption options GeoPEARL H 50 No No 170 No 5 1 Transformation options GeoPEARL C 50 No No E 171 No 5 2 Transformation options GeoPEARL G 50 No No 172 No 6 1 Vulnerability drinking water areas GeoPEARL 6405 No No E 173 No 6 2 Vulnerability drinking water areas GeoPEARL J 6405 No No Copy Edit Assessment General Crops and Applications crop Application a interval 8 Asparagus GeoPEARL_01 Crop Name Asparagus 7 Cabbage GeoPEARL_01 n Application GeoPEARL_01 al _ Cannabis GeoPEARL_01 1 Cereals GeoPEARL_01 1 Repeat interval for years 1 Figure 5 The main form of the GeoPEARL User Interface The lower part of the screen gives information on browsed assessments Furthermore you can indicate here the amount of information that will be shown on the screen during the calcula tion When you check detailed screen output more information will be shown on the screen during the calculations This will however slow down the simulations 2 6 Editing substances The substances form is accessible from the main form of GeoPEARL GeoPEARL can simu late the fate of a parent pesticide and its formation products metabolites in soil This i
112. tory as well Input file for the calculation of percentiles and maps of an assessment gt Initial version ModelVersion Model version GUIVersion GUI version DBVersion Database version PRR Percentiles exe has the possibility to create maps of the 90 percentile of the leaching concen tration To use this option set OptShowMaps to Yes Maps have an automatic or predefined legend This is controlled by the OptAutoScaling variable General control parameters No OptAppend Append results to existing output files Yes OptScreen Screen output Yes OptShowMaps Show the maps No OptAutoScaling Auto scaling in maps Yes No In the following section you have to specify the directory structure Both absolute and rela tive paths are possible Directory to which the output file is written output OutputDir Output directory schematisation SchematisationDir Schematisation bin XYDir XY Directory The next part refers to some basic maps This section does not need editing Map with unique combinations must be in schematisation directory Holland UC map UCMap Map with unique combinations Holland pol Polygons Map with country delineation In this section specify the assessment items that are part of the assessment Please specify both the crop and the name of the file including the path Crops and files to be included in the assessment Both the crf and the foc files must be present table Assessment 1 m
113. ue code and the compound name must be introduced into the code and name fields The maximum length of the code is five alphanumerical characters The following parameter to be introduced is the molar mass Data on molecular masses of compounds are reported in Tomlin 1994 GEOPEARL then needs the saturated vapor pressure PreVapRef the temperature at which this parameter is determined TemRefVap the molar enthalpy of vaporization MolEntVap the solubility of pesticide SlbWatRef the temperature at which the water solubility is obtained TemRefSlb and the molar enthalpy of dissolution MolEntSlb These properties can be taken from a RIVM report 716601008 page 25 of 82 handbook on chemical properties of pesticides e g Tomlin 1994 Hornsby et al 1996 See section 3 2 8 of the FOCUS PEARL manual for further guidance Freundlich sorption tab The sorption of compounds is described with a Freundlich equation eqn 41 See section 3 2 6 of the FOCUS PEARL manual for guidance and backgrounds The Freundlich tab con sists of three parts the first part contains parameters describing the Freundlich coefficient the second part contains the reference concentration and the Freundlich exponent the third part deals with non equilibrium sorption In the first part of the Freundlich tab the user must make a choice between one of the three options that GeoPEARL has available to calculate the Freundlich coefficient OptCofFre T
114. ume rate of lateral discharge by drainage SwAP can handle tabular data and analytical functions to de scribe the soil hydraulic properties In the PEARL context only the analytical equations pro posed by Van Genuchten 1980 are supported a 6 OE E L 4 OENE enDT and mk K y K sh s 5 where 6 m m is the saturated volume fraction of water 0 m m is the residual volume fraction of water a m reciprocal of the air entry value K m d saturated hydraulic con ductivity n and are parameters m 1 1 n and Se is the relative saturation which is given by 0 9 S 6 Potential evapotranspiration The potential evapotranspiration ET m d is the key variable affecting the uptake of water by plant roots and soil evaporation SWAP uses a slightly modified version of the Penman Monteith equation Monteith 1965 Van Dam et al 1997 to calculate the potential evapo transpiration Recent comparative studies have shown a good performance of the Penman Monteith approach under varying climatic conditions Van Dam et al 1997 Potential and even actual evapotranspiration calculations are possible with the Penman Monteith equation through the introduction of canopy and air resistance s to water vapor diffusion However canopy and air resistance s may not be available For this reason SWAP follows a classical two step approach i e 1 the calculation of the potential evapotranspir
115. up several assessments based on a common criterion e g all assessments related to a particular registration dossier The second highest level is the assessment level An assessment is the basic entity in GeoPEARL A GeoPEARL assessment is carried out for a single substance but may consist of several so called assessment items Assessment items are combinations of a crop for which a registration is asked and an application scheme This implies that different crops can have different appli cation schemes The GeoPEARL database also contains the data of the spatial schematization such as soil type climate district and drainage system These data are locked and cannot be changed by the user for this reason they are not shown in figure 2 RIVM report 716601008 page 19 of 82 Assessments versus assessment items Assessments are the central entity in the GeoPEARL GUI For each assessment the GUI calculates the area of usage and summary statistics like the 90 percentile of the leaching concentration at the area of usage the latter being the target variable in the Dutch registration procedure see Tiktak et al 2003 page 28 As mentioned above an assessment can consist of various items For example a company might wish to request a registration for maize potatoes and cereals In that case the as sessment must contains three items For each item a GeoPEARL run is carried out and the 90 per centile of the leaching concentration is
116. vLea Transpiration TrpAct Soil evaporation SolAct Interception EvpInt Precipitation Pre Irrigation Irr Field water courses water courses ditches lt 3m gt 3m Figure 20 The GeoPEARL water balance 3 8 2 The substance balance of the individual plots esb and cfb files Terms of the substance balance are given for all compounds i e for both parents and metabo lites The cfb and esb contain the following columns see also figure 21 1 Plot The plot number 2 Substance Name of substance 3 Application Name of application scheme 4 Yr The year or Avg for long term averages 5 Cmp Compound code 6 AmaAppSol Areic mass applied to the soil system kg ha 1l a l 7 DelAma Change of mass in the soil system kg ha 1l a 1 8 DelAmaEql Change of mass in the equilibrium domain kg ha 1l a 1 9 DelAmaNeq Change of mass in the non equilibrium domain kg ha 1l a 1 10 AmaTra Areic mass transformed in the soil system kg ha 1l a 1 11 AmaFor Areic mass formed in the soil system kg ha 1l a 1 12 AmaUpt Areic mass taken up from the soil system kg ha 1l a 1 13 AmaDra Areic mass drained from the soil system kg ha 1l a 1 14 AmaDra 1 Areic mass drained to the primary system kg ha 1l a 1 15 AmaDra 2 Areic mass drained to the secondary system kg ha l a 1 16 AmaDra_ 3 Areic mass drained to the tertiary system kg ha 1l a 1 17 AmaDra 4 Areic mass drained to tube drains kg ha l a 1 18 AmaDra_5 Areic mass

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