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Addendum to model documentation.

1. 3 3 the user has the possibility to consider hysteresis in the description of the water retention curve Therefore in the table with the Van Genuchten parameters a column has been added with values for the parameter alpha of the wetting part of the curve Le AlphaWet The parameter Alpha in this table has been renamed to AlphaDry When considering hysteresis the user has also to specify the minimum pressure head to switch from the drying to the wetting part of the curve 3 3 3 4 2 7 Section 3 Weather and irrigation data In FOCUS PEARL 3 3 3 three more parameters can be specified in the input file These parameters are e FacPrc Correction factor for precipitation e DifTem Correction for temperature degrees Celsius e FacEvp Correction factor for evapotranspiration These factors can be used to scale up or scale down the data on precipitation air temperature and evapotranspiration in the file with meteorological data The default value for FacPrc and FacEvp is set to 1 0 and the default value for DifTem is set to 0 0 3 3 4 4 2 8 Section 4 Boundary and initial conditions of the hydrological model In FOCUS_PEARL_ 3 3 3 an additional drainage option is available i e extended drainage If this option is selected then for each drainage level considered the following parameters should be specified e SysDra Drainage system e RstDra Drainage resistance d e RstInf Infiltration resistance d e DistDra Distance be
2. Freundlich sorption equation Similar sensitivity studies on pesticide behaviour in soil using Eq 3 have been reported using the PESTRAS model by Tiktak et al 1994 and Swartjes et al 1993 4 1 Literature Boesten J J T I 1991 Sensitivity analysis of a mathematical model for pesticide leaching to groundwater Pest Sci 31 375 388 Leistra M van der Linden A M A Boesten J J T I Tiktak A amp Van den Berg F 2001 PEARL model for pesticide behaviour and emissions in soil plant systems Descriptions 15 of the processes in FOCUS PEARL v 1 1 1 Alterra Rapport 013 RIVM report 711401009 Tiktak A Swartjes F A Sanders R and Janssen P H M 1994 Sensitivity analysis of a model for pesticide leaching and accumulation In J Grasman and G van Straten eds Predictability and non linear modelling in natural sciences and economics Kluwer Academic Dordrecht the Netherlands pp 471 484 Swartjes F A Sanders R Tiktak A and Van der Linden A M A 1993 Modelling of leaching and accumulation of pesticides Module selection by sensitivity analysis In A A M Del Re E Capri S P Evans P Natali and M Trevisan Eds Proceedings IX Symposium Pesticide Chemistry Mobility and Degradation of Xenobiotics p 167 181 16 5 Model testing To date FOCUS PEARL 3 3 3 has not been tested against measurements in field experiments Because the concepts to describe the processes affecting the fate of the
3. Horizon number 1 Thickness of _ i 0 25 Soil Building horizon m On Transformation 1 Block cade CHAT SU1 No of numerical comp 10 On Sorption Et Comments Dispersion length mi 0 05 Close Help Figure 2 The Soil profiles form 11 34 5 Section 5 8 2 The crop and development stage form In FOCUS_PEARL_3 3 3 the user has also to specify the depth of the virtual tensiometer and the critical pressure head for irrigation See Figure 3 FOCUS_PEARL_ 1 1 1 Manual Figure 27 Both parameters are needed when using the SWAP irrigation option that calculates the irrigation amount based on prevailing soil moisture conditions PEARL 3 Crops Browse Crops _ Crop Code NME o O SUGARBEET Sugar beets SUNFLOWER Sunflower TOBACCO Tobacco TOMATOES Tomatoes VINES Vines REE x ER Copy alm Edit Crop Crop code WCEREALS Name winter cereals Anaerobiosis point cm o o Extinction coef for solar radiation 039 Wet reduction point cm Minimum canopy resistance s m 1 70 Higher dry reduction point cm 500 Const in egn for water interception cm 0 0001 Lower dry reduction point cm 800 Depth of virtual tensiometer m aa Wilting point cm 16000 Critical pressure head for irrigation cm 10 Temperature sum Start value deg C emergence anthesis dea C Root density anthesis maturity de
4. TemRefSlb pest C 40 0 MolEntSlb pest kJ mol 1 Non equilibrium sorption 0 00 CofDesRat pest d 1 05 FacSorNegEgl pest Uptake 0 5 FacUpt_pest Canopy processes Lumped OptDspCrp_pest If Lumped a6 DT50DspCrp_pest d If Specified d6 DT50PenCrp_pest d d6 DI50VolCrp pest d d6 DI50TraCrp pest d End If 1 d 4 FacWasCrp_pest m 1 4 0 2 Diffusion of solute in liquid and gas phases Coef for eql sorption on om acid 0 1e9 Coef for eql sorption on om base 0 1e9 Coef for influence of pH on sorption 0 14 pH correction 2 1 the coefficient for equilibrium sorption Coef for equilibrium sorption 0 1e9 Factor for the effect of depth 0 1 Saturated vapour pressure 0 2e5 measured at 0 40 Molar enthalpy of vaporisation 200 200 Solubility in water le 9 1le6 measured at 0 40 Molar enthalpy of dissolution 200 200 Desorption rate coefficient 0 0 5 CofFreNeg CofFreEql 0 Coefficient for uptake by plant 0 10 Lumped or Specified Half life at crop surface 1 1e6 Half life due to penetration 1 1le6 Half life due to volatilization 1l1e6 Half life due to transformation 1l1e6 Wash off factor le 6 0 1 Reference diff coeff in water 10e 5 3e 4 Reference diff coeff in air 0 1 3 Diff coeff measured at temperature 10 30 3d 5 CofDifWatRef_pest m2 d 1 43 CofDifAirRef pest m2 d 1 0 0 TemRefDif pest C Section 6 Manage
5. cm Wilting point 16000 0 70 0 RstEvpCrp_WCEREALS1 s m 1 Min canopy resistance 0 1000 0 39 CofExtDif_WCEREALS1 1 0 CofExtDir_WCEREALS1 0 2 ZTensioMeter_WCEREALS1 m 100 0 PreHeaIrrSta_WCEREALS1 cm 1 d 4 CofIntCrp_WCEREALS1 cm Constant in Braden eq for interception 0 1 a ad i EE i i a eta E E EE EE ELEN eS rf Sr EES ESES Sd Ed Section 9 Output control Description a dd ded ed ed ee ee a ce EEE a ae ae ee EE ae ee eee ae ee ae eee E ee E a ee ere First specify the time format in the output file DaysFromSta Print number of days since start of simulation DaysFrom1900 Print number of days since 1900 Years Print years DaysFromSta DateFormat Format of time column in output file No OptDelOutFiles Yes PrintCumulatives table VerticalProfiles end_table Format of the ordinary output use FORTRAN notation e is scientific notation g general is general notation Then follow the number of positions Then the number of digits g12 4 RealFormat Format of ordinary output Second specify the nodal heights for which output is requested table OutputDepths m 0 05 aL 2 3 4 eo 75 0 DO FOO Ore 0 20 end_table Finally specify for all variables whether output is wanted Yes or No As Pearl can potentially generate large output files it is recommended to minimise the number of output variables 26 Section I General variables Output from the SWAP
6. d maximum resistance of rapid subsurface drainage le 3 1e4 10 RstSurDraShallow d minimum resistance of rapid subsurface drainage le 3 1e4 No OptSrfWat Option to consider surface water system If OptSrfWat set to Yes then the following parameters should be specified 10 SrfWatLevWinter m Winter surface water level 1 0 SrfWatLevSummer m Summer surface water level 0 0 SrfWatSupCap m d 1 Surface water supply capacity Section 5 Compound section Description Compounds First compound is the parent pesticide the others are metabolites table compounds pest end_table 200 0 MolMas_pest g mol 1 Molar mass 10 10000 Transformation table parent daughter relationships The end substance is the final transformation product Condition Sum of rows should be 1 see theory document table FraPrtDau mol mol 1 end_table Example for a pesticide with two daughters named met1 and met2 Line 1 pest is transformed into metl 25 met2 70 and undefined end products 5 Line 2 metl is transformed into met2 16 and undefined end products 84 Line 3 met2 is transformed into undefined end products only 100 table FraPrtDau mol mol 1 pest metl met2 end 0 00 0 25 0 70 0 05 pest 0 00 0 00 0 16 0 84 metl 0 00 0 00 0 00 1 00 met2 end_table Transformation rate parameters Input OptDT50_pest Option for DT50 Input or Calculate 50 0 DT50Ref_pest d Half
7. drainage to of drainage to of drainage to of drainage to of drainage to ical mass error level level level level level Areic mass Areic mass Areic mass Areic mass Areic mass Areic numer B WNE kg kg 1 Concentration in Concentration in gas phase Concentration in equilibrium domain Concentration in non equilibrium domain Concentration in the soil system Mass content at soil solid phase liquid phase AT Yes Yes Yes Yes Yes Yes Yes Yes print_ConLiqSatAvg print ConLigLbo print ConLigDra print ConLigDra_1 print ConLigDra_2 print ConLigDra_ 3 print ConLigDra_ 4 print ConLigDra_5 Pesticide mass fluxes kg m 2 d 1 Yes No No Yes No Yes print_FlmLiq print_FlmGas print_FlmSys print_FlmLiqhbo print FlmLigInf print FlmGasVol Canopy interaction print AmaCrp print AmaAppCrp print AmrDspCrp print AmaHarCrp print AmrWasCrp print FlmDepCrp Avg conc in lig Concentration in Concentration in Concentration in Concentration in Concentration in Concentration in Concentration in percolate phase between 1 2 m drainage water Pesticide mass flux in liquid phase Pesticide mass flux in gas phase Total pesticide mass flux drainage water system 1 drainage water system 2 drainage water system 3 drainage water system 4 drainage water system 5 FlmLig FlmGas Accumulated mass flux at the lower boundary Accumulated mass flux of pesticide infiltration
8. model version 2 0 9e Groundwater level m Leaf Area Index m2 m 2 Rooting depth m Crop factor Soil cover Water balance error m Phreatic storage capacity m3 m 2 Amount of water in soil Ponding depth m Soil temperature C Volumic air content m3 m 3 Volumic soil water content m3 m 3 Soil water pressure head m Volumic volume rate of drainage Volume flux of water uptake Volume flux of vertical soil water flow Volume flux of precipitation Volume flux of water in irrigation Volume flux of water leaching from the soil system Evaporation flux of intercepted rainfall Evaporation flux of intercepted irrigation Volume flux of evaporation from the soil surface Idem potential Volume flux of transpiration by plant roots Idem potential Volume flux of drainage to level 1 Volume flux of drainage to level 2 Volume flux of drainage to level 3 Volume flux of drainage to level 4 Volume flux of drainage to level 5 Volume flux groundwater recharge Yes print_GrwLev Yes print_LAI No print_ZRoot No print_FacCrpEvp No print_FraCovCrp No print_AvoLigqErr No print_StoCap No print_AvoLiqSol No print_ZPnd State variables Yes print_Tem No print_Eps Yes print_Theta No print_PreHea Volumic volume rates m3 m 3 d 1 Yes print_VvrLiqDra Yes print_VvrLiqUpt Volume fluxes m3 m 2 d 1 Yes print FlvLidg Yes print FlvLigPrc No print FlvLigIrr Yes print Flv
9. must be constant for one crop If reapeat crops Specification of year not required table Crops 01 Nov 1901 10 Aug 1902 WCEREALS1 end_table Crop cycle fixed or variable calculated from temperature sum Fixed OptLenCrp Fixed or Variable If OptLenCrp Variable 0 0 TemSumSta_WCEREALS1 C Start value of temperature sum 10 20 0 0 TemSumEmgAnt_WCEREALS1 C Sum from emergence to anthesis 0 1e4 0 0 TemSumAntMat_WCEREALS1 C Sum from anthesis to maturity Olle4 End If 95 Crop parameters as a function of development stage Column 1 Development stage 0 emergence 1 harvest O 1 Column 2 LAI Leaf Area Index m2 m 2 0112 Column 3 FacCrp Crop factor 012 Column 4 ZRoot Rooting depth m 0 10 Column 5 HeightCrp Crop height m 0 10 LAI FacCrp ZRoot HeightCrp table CrpPar_WCEREALS1 0 0 0 0 1 0 0 0 655 O 1 L0 0 0 755 3 8 0 74 1 1 0 3 8 0 74 L end_table eNO oooo oooo Root density table first column is relative depth Column 1 Relative depth 0 soil surface 1 DepRoot O 1 Column 2 Root density distribution O 1 Table RootDensity_WCEREALS1 0 00 1 00 1 00 1 00 end_table Crop water use 0 0 HLiml_WCEREALS1 cm Anaerobiosis point 100 0 1 0 HLim2_WCEREALS1 cm Wet reduction point 1000 0 500 0 HLim3U_WCEREALS1 cm Dry reduction point 10000 0 900 0 HLim3L_WCEREALS1 cm Dry reduction point 10000 0 16000 0 HLim4_WCEREALS1
10. was reasonably described by the model However this experiment was not suitable to test pesticide leaching to groundwater In the Brimstone field experiment isoproturon was applied in different years to a cracking heavy clay soil The soil hydrological parameters were calibrated using measured soil moisture content profiles The average moisture content corresponded well to those measured but at different occasions there were large differences presumably due to the occurrence of preferential flow Measured Ts concentrations of isoproturon occurred several weeks earlier than predicted by PEARL indicating that preferential flow is an important process for this particular soil 5 1 Literature Bouraoui F Boesten J J T I Jarvis N and Bidoglio G 2003 Testing the PEARL model in the Netherlands and in Sweden Proceedings XII symposium Pesticide Chemistry Piacenza Italy Scorza Junior R P amp Boesten J J T I 2005 Simulation of pesticide leaching in a cracking clay soil with the PEARL model Pestic Management Sci in press Vanclooster M Pineros garcet J D Boesten J J T I van den Berg F Leistra M Smelt J H Jarvis N Burauel P Vereecken H Wolters A Linnemann V Fernandez E Trevisan M Capri E Klein M Tiktak A van der Linden A M A De Nie D Bidoglio G Bouraoui F Jones A Armstrong A 2003 Effective approaches for assessing the predicted environmental concentrations of pe
11. Accumulated mass flux of pesticide volatilisation Areic mass Areic mass Areic mass Areic mass Areic mass Areic mass 28 of pesticide at the canopy of pesticide applied to the canopy rate rate rate rate of pesticide of pesticide of pesticide of pesticide dissipation removal by harvest wash off deposited on canopy
12. CofDifGasCur Coefficient in Currie equation 0f 3 0 ExpDifGasCur Exponent in Currie equation Ei End If Dispersion length of solute in liquid phase Table horizon LenDisLiq m 0 05 205 05 05 05 05 end_table aor WN FE oa 2 2 amp Section 3 Weather and irrigation data Description 0 5Delz 1 HAMB M MeteoStation Maximum 7 characters Input OptEvp Evapotranspiration Input Penman or Makkink 52 0 Lat Latitude of meteo station 60 60 10 0 Alt m Altitude of meteo station 400 3000 Initial lower boundary soil temperature 20 40 Upper boundary temperature is read from meteo file 5 3 TemLboSta C Irrigation section No OptiIrr Options for OptIrr are No no irrigation Surface Surface irrigation irrigation depth spec by user Surface Auto Surface irrigation irrigation depth calc by model Sprinkler Sprinkler irrigation irrigation depth spec by user Sprinkler_Auto Sprinkler irrigation irrigation depth calc by model defscen IrrigationData Name of file with irrigation data Irrigation data have to be provided in a file Station irr e g debilt irr Maximum number of characters in filename is 7 If RepeatHydrology is set to Yes the first year is required only Dj Format of the file should be as below table IrrTab mm Ol Aug 1960 10 0 end_table Ll FacPre Correction factor for precipitation 0 0 DifTem C Correction f
13. Documentation update for PEARL 3 3 3 F van den Berg A Tiktak D van Kraalingen A M A van der Linden J J T 1 Boesten April 2006 Contents 1 Bugs FOCUS PEARL 2 2 2 solved in FOCUS PEARL 3 3 3 eneen 3 2 Bugs FOCUS PEARL 1 1 1 solved in FOCUS PEARL 2 2 2 eeeeesteeeseetees 4 3 Additions and Changes to manual FOCUS PEARL 1 1 1 eneen 5 3 1 gt Chapter 2 Model description iiss sicsscasseccsesaencdsenssvenseeesbosdalesncdedacdoeadaqnaueasaeenshosad ens 5 3 2 Chapter 3 Model parameterizatiOn en svensssconseevenseevenseerenseeronseeronseeene 6 3 3 Chapter 4 User s guide for the command line version of PEARL 6 3 4 Chapter 5 User s Guide for the PEARL User Interface en 10 3 5 Literature scnis erines isine Nia AE EAEE EAKA AS eat EESE EE NA EE aiia ia 14 4 Sensitivity analysis gne ee ne aran a dead Es kant aE e iS 15 4 1 TROPA OATS nio e cece E E E ae E ea a E E 15 De AOC LESLIE et neat a E uae eed 17 5 1 VDE ogi ne acca E O clase ets Dad ke meta A pote ead acl E EA S 18 6 Appendix 1 The PEARL_3 3 3 input file Expert users neons eenneeen neen 19 1 Bugs FOCUS PEARL 2 2 2 solved in FOCUS PEARL 3 3 3 In FOCUS PEARL 2 2 2 occasionally a run failure occurred for substances parents or metabolites with Freundlich exponents exceeding 1 0 The subroutine for the calculation of the time step in PEARL has been improved so this error will no longer occur Furthermore the calculation of the temperature
14. LigLbo No print FlvLigEvpIntPrc No print FlvLigEvpIntIrr Yes print FlvLigEvpSol No print FlvLigEvpSolPot Yes print_FlvLiqTrp No print_FlvLiqTrpPot No print FlvLigDra 1 No print FlvLigDra 2 No print FlvLigDra 3 No print FlvLigDra 4 No print FlvLigDra_ 5 No print_FlvLiqGrw Section II Output from the PEARL model Remark All fluxes are averages over the print interval Time step No print Mass balance Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes Pesticide concentrati print_ Yes No print No print No print Yes No prin kg m 2 print print_ print print_ print print print print print print_ Print print print print print print print print print prin prin kg m 3 and contents Average time step during the print interval d Areic mass in equilibrium domain Areic mass in equilibrium domain of tillage layer Areic mass in equilibrium domain of focus layer Areic mass in non egl domain of profile Areic mass in non egl domain of tillage layer Areic mass in non egl domain of focus layer Areic mass of pesticide in the system Areic mass of pesticide in the tillage layer Areic mass of pesticide in the focus layer Areic mass applied to the soil system of profile o o o a Areic mass of lateral discharge Areic mass of formation Areic mass of pesticide transformation Areic mass of pesticide uptake of
15. considers two conservation equations for the pesticide in the soil system one for the equilibrium domain and one for the non equilibrium domain See Leistra et al 2001 for the description of symbols de oJ T SERS ie p ae ZR Rip Rap Eq 1 ac ER Eq 2 af Eq 2 In most pesticide studies non equilibrium sorption is not considered so the first term on the right hand side of Eq 1 can be omitted Secondly most of the pesticides are non volatile so for these compounds the transport in soil through the gas phase is much smaller that the transport through the liquid phase Thirdly lateral drainage is not considered in the first tier leaching assessments at the EU level FOCUS groundwater scenarios so Eq 1 can be simplified to de oJ Sr aOR ap Eq 3 Eq 3 is equal to the conservation equation used in the precursors of the PEARL model PESTLA and PESTRAS to describe the leaching of pesticide in the soil system Therefore a sensitivity analysis for FOCUS_PEARL_ 3 3 3 with the simplifications mentioned above would give the same results as a sensitivity analysis for PESTLA 1 1 and PESTRAS 3 1 The sensitivity of calculated leaching to the parameters in the conservation equation used in PESTLA 1 1 has been assessed by Boesten 1991 His results show that the most sensitive parameters are e the half life of the substance in the soil system e the coefficient for sorption on organic matter e the exponent in the
16. dL 1500 0 2 1600 0 3 1560 0 4 1620 0 5 1600 0 6 1600 0 end_table End If No OptHysteresis Option to include hysteresis 02 PreHeaWetDryMin cm Minimum pressure head to switch drying wetting 20 Maximum ponding depth and boundary air layer thickness both location properties 0 002 ZPndMax m Maximum ponding depth 0 1 0 01 ThiAirBouLay m Boundary air layer thickness le 6 1 Soil evaporation parameters Boesten Opt SolEvp Option to select evaporation reduction method 1 50 FacEvpSol Crop factor for bare soil 0 5 1 5 0 79 CofRedEvp em1 2 Parameter in Boesten equation 0 1 0 01 PrcMinEvp m d 1 Minimum rainfall to reset reduction Parameter values of the functions describing the relative diffusion coefficients MillingtonQuirk OptCofDifRel MillingtonQuirk Troeh or Currie If MillingtonQuirk 2 0 ExpDifLigqMilNom Exponent in nominator of equation 0 115 0 67 ExpDifLiqMilDen Exponent in denominator of eqn 0 1 2 2 0 ExpDifGasMilNom Exponent in nominator of equation 0 115 0 67 ExpDifGasMilDen Exponent in denominator of eqn 0 112 If Troeh 0 05 CofDifLigqTro Coefficient in Troeh equation O1 1 4 ExpDifLigTro Exponent in Troeh equation 112 0 05 CofDifGasTro Coefficient in Troeh equation O 1 1 4 ExpDifGasTro Exponent in Troeh equation 12 If Currie 235 CofDifLiqCur Coefficient in Currie equation O 220 ExpDifLigqCur Exponent in Currie equation 1 Zen
17. dependency of the sorption coefficient contained an error Whether the molar enthalpy of sorption was set to zero or not all calculations were performed with a sorption coefficient that was no function of temperature This error has been eliminated so the temperature dependency of the sorption coefficient is now taken into account 2 Bugs FOCUS PEARL 1 1 1 solved in FOCUS PEARL 2 2 2 In FOCUS PEARL 1 1 1 the values of the parameters HLIM3U and HLIM3L were interchanged inside the model so a bug in FOCUS PEARL 2 2 2 this bug has been corrected See the manual for the definition of these parameters The bug in the graph of pressure head with depth has been removed 3 Additions and Changes to manual FOCUS PEARL 1 1 1 This section describes the changes and the additions for the update of the FOCUS PEARL 1 1 1 manual Tiktak et al 2000 to be used in combination with FOCUS PEARL 3 3 3 3 1 Chapter 2 Model description In Figure 2 the name of the file RunId Apo is not correct The name of the file is Runld pfo 3 1 1 Section 2 3 3 Potential transpiration and potential evaporation The extinction coefficient for global solar radiation has been replaced by the product of a coefficient for direct global radiation Kair and a coefficient for diffuse global radiation Kaif See Equations 6 25 and 6 26 in Van Dam et al 1997 3 1 2 Section 2 3 5 Evaporation of water from the soil surface A second
18. ent of silt expressed as a fraction of the mineral soil kg kg 1 LOI Mass content of clay expressed as a fraction of the mineral soil kg kg 1 011 Organic matter mass content kg kg 1 O 1 pH pH measured in 0 01 M CaCl2 is preferred see theory document 11131 table horizon SoilProperties Nr FraSand FraSilt FraClay CntOm pH kg kg 1 kg kg 1 kg kg 1 kg kg 1 1 0 683 0 245 0 072 0 026 99 2 0 67 0 263 0 067 0 017 99 3 0 962 0 029 0 009 0 0034 09 4 0 998 0 002 0 0 99 5 ap 0 0 0 99 6 1 0 0 0 99 end_table Parameters of the Van Genuchten Mualem relationships B1 O1 Specify for each soil horizon The saturated water content m3 m3 010 951 The residual water content m3 m 3 0 0 04 Parameter AlphaDry cm 1 1 d 3 1 Parameter AlphaWet cm 1 1 ad 3 1 Parameter n 115 The saturated conductivity m d 1 1 d 4 10 Parameter lambda 1 25125 New Staring Series not used for standard scenario table horizon VanGenuchtenPar Nr ThetaSat ThetaRes AlphaDry AlphaWet n KSat L m3 m 3 m3 m 3 cm 1 cm 1 m d 1 E 0 2391 0 036 0 0149 0 0298 1 468 2 016 0 5 2 0 37 0 02 0 0126 0 0252 1 565 2 736 0 5 3 0 352 0 029 0 0181 0 0362 1 598 2 448 0 5 4 0 31 0 015 0 0281 0 0562 1 606 2 448 0 5 5 0 31 0 015 0 0281 0 0562 1 606 2 448 0 5 6 0 31 0 015 0 0281 0 0562 1 606 2 448 045 end_table Input OptRho Calculate or Input If RhoOpt Input table horizon Rho kg m 3 100 2000
19. ev m 1 Exponent in Q h relationship 100 100 LboOpt Dirichlet pressure head boundary condition table h m Pressure head 1e4 1e4 Ol Jan 1 0 31 Dec 1 0 end_table Section 4b Local drainage fluxes to ditches and drains No OptDra No Basic or extended drainage module No OptSurDra Option to consider surface drainage 0 NumDraLev Number of drainage levels 0 5 If OptDra set to Basic parameters below should be specified for each drainage level 1 SysDra_l Drainage system 100 0 RstDra_l d Drainage resistance 10 1le5 100 0 RstInf_1 d Infiltration resistance 20 0 DistDra_1 m Distance between drains or channels 1 1e6 1 5 ZDra 1 m Bottom of drain system O 10 Drain TypDra_1 Type of drain system Drain or Channel 1 5 ZSurWat 1 m Channel water level if TypDra 1 Channel otherwise dummy values 299 If OptDra set to Extended parameters below should be specified for each drainage level 1 SysDra_l Drainage system 100 0 RstDra_l d Drainage resistance 10 1e5 100 0 RstInf_1 d Infiltration resistance 20 0 DistDra_ 1 m Distance between drains or channels 1 1e6 1 0 WidthDra_1 m Bottom width of drain system 1 5 ZDra_1 m Bottom of drain system 0 10 T45 ZGwlInfMax_1 m Depth at which infiltration is maximal Yes OptSurDra Option to consider rapid subsurface drainage If OptSurDra set to Yes then the following parameters should be specified 30 RstSurDraDeep
20. g C Comments Close Help Figure 3 The crops form 3 4 6 Section 5 9 1 Editing individual compounds On the Freundlich sorption tab the user has also to specify the temperature K at which the Kom value has been measured as well as the molar enthalpy of sorption kJ mol 3 4 7 Section 5 10 Editing application schemes The forms for editing application schemes has been graphically improved See Figure 4 FOCUS_PEARL_1 1 1 Manual Figure 31 12 PEARL 3 Application Schemes M Browse Application Schemes j Browse Absolute Applications Date Type Dosage Application Parameter gt v No substance applications Copy pe ps Browse Relative Applications Crop E vent Period Crop Nol Dosage Applcation Parame gt Emg 1 1 1 0 o Copy pl m Copy Absolute applications Relative applications Edit Absolute Application Edit Application Scheme Code FOCUS EXAMPLE Application type Date dd mmzyyyy BIC ts Description Example FOCUS application ss roc Sli Dosage kg ha 1 EX Comments Depth pl Figure 4 The application schemes form 34 8 Section 5 11 Editing irrigation schemes On the Irrigation scheme form the user can select two more options 1 Surface irrigation irrigation depth calculated by the model and 2 Sprinkler irrigation irrigation depth calculated by the model Moreover a facility has been added to impor
21. generate an overview report of all runs in a project After clicking on the button Reports the user has to specify whether only the run selected is reported or all runs in the same project project summary 10 An archive option for runs has been added After clicking on Runs on the menu bar at the top of the main screen the user can select Archive selected run Next the user has to specify the drive and the directory where the files should be stored 3 4 3 Section 5 7 1 The locations form A Copy button has been added to copy a location 3 4 4 Section 5 7 1 The soil form The depth dependence of transformation and sorption parameters can be specified for each substance so this dependency can be different for the parent and the metabolites See Figure 2 FOCUS_PEARL_1 1 1 Manual Figure 23 PEARL 3 Soil Profiles Browse Soil Profiles Chateaudun soil Hamburg soil Jokioinen soil Kremsmuenster soil Edit Soil Profile Parameter in soil evaporation Code CHAT S reduction equation cm1 2 0 79 Name Chateaudun soil Crop factor for bare soil 1 Relative diffusion P ad coefficient Bulk density option Input v Browse Horizons in Soil Profiles Non Default Factors for Depth Effect _ Horizon no Soi Building Block Code _ SubstCode p D 1 CHAT 5U1 0 25 10 0 2 CHAT SU2 Edit Edit Horizon in Soil Default Factors for the Effect of Depth
22. he new GUI can work without Microsoft Access 3 4 2 Section 5 6 The main form The main form consists of five tabs i e a scenario tab a simulation control tab an output control tab a SWAP hydrological module tab and a run status tab See Figure 1 FOCUS PEARL 1 1 1 Manual Figure 21 E PEARL 3 Database C Program Files FOCUSPEARL 3_3_3 Database PearIDB ib Project Standard Focus project with one run for de EK File Edit View Calculate Graphs Runs Registration Help Projects EE Calculate eX Focus Wizard Help Browse Runs _ RuniD Selected Name meren ResuitsSummay ResultsDetailed B Reports st Graphs user defined Graphs predefined Copy gt eel WCEREALS CHATEAUDUN for demonstration Available Available Edit Run Scenario Simulation Control Output Control Swap Hydrological Module Run Status SWAP Control Parameters Minimum timestep d Option Hysteresis Maximum timestep d Tolerance in SWAP Minimum pressure head to switch drying wetting cm Tolerance for groundwaterlevel m Maximum number of iterations air Option Hydrology Runs SWAP and then PEARL x Figure 1 The main form of the PEARL user interface On the SWAP hydrological module tab the user has to specify the option to consider hysteresis or not and the minimum pressure head to switch drying wetting cm This option is switched off for FOCUS scenarios A facility has been added to
23. in the equilibrium domain of the soil profile Areic mass of substance in the equilibrium domain of the tillage layer Areic numerical mass balance error Add TOXSWA Variable Clear All Variables Set All Variables Set Defaults Close Help Number of selected variables 34 Figure 5 Output control 3 5 Literature Black T A Gardner W R and Thurtell G W 1969 The prediction of evaporation drainage and soil water storage for a bare soil Soil Sci Soc Am 33 655 660 Dam J C Van Huygen J Wesseling J G Feddes R A Kabat P Van Walsum P E V Groenendijk P and Van Diepen C A 1997 SWAP version 2 0 Theory Simulation of water flow solute transport and plant growth in the Soil Water Atmosphere Plant environment Report 71 Department of Water Resources Wageningen Agricultural University Technical Document 45 DLO Winand Staring Centre Wageningen Kroes J G Van Dam J C Huygen J and R W Vervoort 2002 User s Guide of SWAP version 2 0 Alterra rapport 610 137 pp Wageningen the Netherlands Tiktak A Van den Berg F Boesten J J T I Van Kraalingen D Leistra M and Van der Linden A M A 2000 Pesticide Emission at Regional and Local scales Pearl version 1 1 User Manual RIVM report 711401008 Alterra report 28 Tiktak A Van der Linden A M A and Boesten J J T I 2003 The GeoPEARL model Model description applications and manual 14 4 Sensitivity analysis FOCUS PEARL 3 3 3
24. life time 1 1e6 20 0 TemRefTra_pest C Temperature at which DT50 is measured 5 30 0 70 ExpLiqTra_pest Exponent for the effect of liquid 0 5 Opt imumConditions OptCntLigTraRef pest OptimumConditions or NonOptimumConditions 1 0 CntLigTraRef pest kg kg 1 Lig content at which DT50 is measured 0 1 54 0 MolEntTra_pest kJ mol 1 Molar activation energy 012001 a Factor for the effect of depth 0 1 table horizon FacZTra hor pest 1 1 00 2 0 95 3 0 74 4 038 5 0 00 6 0 00 end table Freundlich equilibrium sorption pH independent OptCofFre pest pH dependent pH independent CofFre 1 0 ConLigRef pest mg L 1 Reference conc in liquid phase 0 1 0 9 ExpFre_pest Freundlich sorption exponent 0 1 1 3 If pH independent use the coefficient for sorption on organic matter 70 00 KomEql_pest L kg 1 Coef eql sorption on org matter 0 1e9 Me If pH dependent use pKa value and coefficient for sorption on organic matter 374 7 KomEqlAcid_pest L kg 1 7 46 KomEqlBase_pest L kg 1 4 6 pKa_pest 0 0 pHCorrection If CofFre specify the depth dependence and 1 0 KSorEql_pest L kg 1 0 0 MolEntSor pest kJ mol 1 20 0 TemRefSor pest C table horizon FacZSor hor pest iL 1 00 2 0 17 3 0 04 4 0 03 5 0 00 6 0 00 end_table End If Gas liquid partitioning 0 0 PreVapRef_pest Pa 20 0 TemRefVap pest C 100 0 MolEntVap pest kJ mol 1 330 SlbWatRef pest mg L 1 20 0
25. ment section Description lt 0 ZFoc DelTimEvt Event table m a JOA Depth of Focus target layer 0 1 Z N 1 Repeat interval of events NoRepeat 1 2 3 Column 1 Date Column 2 Event type AppSolSur AppSolInj AppSolTil AppCrpUsr AppCrpLAI If Event AppSolSur soil surface application Column 3 Dosage kg ha 0 If EventType AppCrp application to the crop canopy Column 3 Dosage kg ha 0 Column 4 Optional Fraction of dosage applied to the crop canopy 011 End If table Applications 01 Emg 01 AppSolSur 1 0 end_table Tillage table can be empty table TillageDates end_table Section 7 Initial and boundary conditions of pesticide fate model Description Initial conditions Concentration in equilibrium domain 0 If using metabolites ConSysEql should be specified for all metabolites table interpolate CntSysEql mg kg 1 z pest 0 0000 0 000 5 0000 0 000 end_table Initial conditions Concentration in non equil domain 0 If using metabolites ConSysNeq should be specified for all metabolites table interpolate CntSysNeq mg kg 1 z pest 0 0000 0 000 5 0000 0 000 end_table Upper boundary flux LOI table FlmDep kg ha 1 d 1 01 Jan 1980 0 0 31 Dec 1989 0 0 end_table Section 8 Crop section Description Yes RepeatCrops Repeat crop table Yes or No Emergence and harvest date of crop Note Length of growing season
26. method can be used to calculate the reduction of the evaporation of water from bare soil i e the method described by Black 1969 ZE Al in which empirical coefficient cm d 5 tary time after significant amount of rainfall d 3 1 3 Section 2 5 7 Partitioning over the three soil phases The effect of temperature on sorption coefficients can be specified via an adsorption enthalpy Ko Ky ex an ORA Fe Fer p R T T in which Kr e the Freundlich coefficient at reference temperature T K AH molar enthalpy of sorption J mol In FOCUS_PEARL_ 3 3 3 the default value for the sorption enthalpy is zero and this gives the same calculated sorption coefficients as FOCUS_PEARL_1 1 1 3 2 Chapter 3 Model parameterization 3 2 1 Section 3 2 6 Freundlich equilibrium sorption The effect of soil temperature on the sorption coefficient can be taken into account see above user manual section 2 5 7 3 3 Chapter 4 User s guide for the command line version of PEARL 3 3 1 4 2 4 Section 1 Simulation control In FOCUS_PEARL_ 3 3 3 an additional parameter is available to specify the number of years in the warming up period Two parameters that are used in SWAP specification of the number of iterations and the tolerance in the procedure to calculate the groundwater level The parameter AcceptDefaults has been removed 3 32 4 2 6 Section 2 Soil properties and soil profile In FOCUS_PEARL_ 3
27. ntrations in the drainwater were underpredicted at times and this is probably due to the effect of preferential flow Scorza and Boesten 2005 have tested FOCUS_PEARL_ 1 1 1 against the results of a field experiment on a cracking clay soil at Andelst NL In this field experiment KBr the mobile pesticide bentazone and the moderately sorbing pesticide imidacloprid were applied to the bare soil The model was tested using a stepwise approach Vanclooster et al 2003 Calibration of the soil hydrological parameters was necessary to obtain a good description of the soil moisture profiles The dispersion length was calibrated to obtain a good description of the bromide transport in the soil The concentrations of bentazone in the drainwater and groundwater were described reasonably well by the model The bulk movement of imidacloprid in the soil was overestimated by the model and the concentrations of imidacloprid in drainwater was underestimated This indicates that FOCUS_PEARL_1 1 1 cannot be used for accurate simulation of pesticide transport in cracking clay soils Vanclooster et al 2003 have tested FOCUS PEARL 1 1 1 against the results of field experiments in Bologna I and Brimstone UK In the Bologna field experiment aclonifen and ethoprophos were applied to a loamy soil Calibration of the soil hydrological parameters was needed to improve the description of the soil moisture profiles The limited movement of both aclonifen and ethoprophos
28. or temperature 1 0 FacEvp Correction factor for evapotranspiration Section 4 Boundary and initial conditions of hydrological model Section 4a Lower boundary flux conditions Description Initial condition 200 ZGrwLevSta cm Initial groundwater level 5000 0 Choose one of the following options GrwLev Flux Head FncGrwLev Dirichlet ZeroFlux FreeDrain Lysimeter FncGrwLev OptLbo Lower boundary option LboOpt GrwLev groundwater level boundary condition Read from LowerBoundaryFile RunId bot RunId table GrwLev em Groundwater level 0 01 Jan 1901 100 0 31 Dec 1926 100 0 end_table LboOpt Flux flux lower boundary condition 0 250 FlvLigLboAvg m a 1 Average annual lower boundary flux 1 1 0 10 FlvLiqLboAmp m Amplitude of lower boundary flux 0 0 5 01 Oct DayFlvLiqLboMax Day of maximum flux 01 Jan 31 Dec LboOpt Head head lower boundary condition Elliptic Opt ShapeGrwLev Elliptic Parabolic Sinusoidal NoDrains mla HeaDraBase m Drainage base to correct GrwLev 100 0 500 0 RstAqt d Resistance of aquitard 0 1e4 1 4 HeaAqfAvg m Mean hydraulic head of aquifer 10 10 0 2 HeaAqfAmp m Amplitude of aquifer hydraulic head 0 10 01 Apr TimHeaAgfMax d Day with maximum head 01 Jan 31 Dec LboOpt FncGrwLev flux boundary condition flux is a function of groundwater level 0 01 CofFncGrwLev m d 1 Coefficient in Q h relationship 1 1 1 4 ExpFncGrwL
29. pesticide in the soil have not changed in the development from FOCUS_PEARL_1 1 1 to FOCUS_PEARL_ 3 3 3 the outcome of testing FOCUS_PEARL_1 1 1 as described below is valid for FOCUS PEARL 3 3 3 too Bouraoui et al 2003 have tested FOCUS_PEARL_1 1 1 to describe the behaviour of pesticides in soil using measurements from field experiments in Vredepeel NL and Lanna S In the Vredepeel field experiment KBr bentazon and ethoprophos were applied to a sandy soil gley podzol with no subsurface drainage The model was tested using