persam worked-examples: soil ph dependent substances · 2019. 6. 12. · p substanceasssubstance...
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PERSAM Worked-examples:
Soil pH dependentsubstances
Michael Klein
June 4-5th 2019
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EFSA (European Food Safety Authority), 2017. EFSA Guidance Document for predicting environmental concentrations of active
substances of plant protection products and transformation products of these active substances in soil. EFSA Journal
2017;15(10):4982, 115 pp. https://doi.org/10.2903/j.efsa.2017.4982
Example 7 (soil pH dependent substance)
1) Considering a pesticide that shows pH dependent sorption
PERSAM worked-examples:soil pH-dependent substances
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soil pH-dependent substances
Crop: Maize
Number of applications: 2 application (2 * 1 kg/ha)
Type of application: Spray application at BBCH 10-19 and BBCH 20-29
Time between applications: 14 days
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soil pH-dependent substances
Substance properties:
Compound Pesticide C
Molar mass (neutral form) 300 g/mol
Molar mass (anion) 299 g/mol
KOM (neutral form) 202.5 L/kg
KOM (anion) 20 L/kg
pKa 4.7
∆ pH 0.82
DegT50 250 d
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PERSAM Graphical shell
Create a new project
soil pH-dependent substances
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Tier 1. soil pH-dependent substances
At Tier 1 soil incorporation is not taken into account
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Regulatory zones
Tier 1. soil pH-dependent substances
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PECs selection
Tier 1. soil pH-dependent substances
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Crop type selection: at Tier 1 only 2 options available
Tier 1. soil pH-dependent substances
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Tier 2. soil pH-dependent substances
Crop selection at Tier 2 only: FOCUS crops (annual and permanent) are available
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Pesticide input parameters
soil pH-dependent substances
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Sorption characteristics
Tier 1. soil pH-dependent compounds
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Pesticide input parameters
Tier 1. soil pH-dependent substances
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Pesticide input parametersDegradation pathway (no metabolites considered)
Tier 1. soil pH-dependent substances
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Application schemeTwo applications
At Tier 1 crop interception is not taken into account
Tier 1. soil pH-dependent substances
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Tier 1. soil pH-dependent substances
Application schemeTwo applications
At Tier 2 crop interception is considered via the BBCH code
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Tier 1. soil pH-dependent substances
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Model outputResults of Tier 2
Tier 1. soil pH-dependent substances
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Higher tier assessment
TIER 3A modelling is performed with PEARL and PELMO
FOCUS PELMO (vers.6.6.1) will be used in the following worked-example:
1) Concentration in total soil for the central zone
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Tier 3A. soil pH-dependent substances
PERSAM generates a transfer file for Tier 3A assessment with PEARL and PELMO
*------------------------------------------------------------------* PERSAM Transfer file* Generated on 27/05/2019_16:10*-------------------------------------------------------------------North RegZone Regulatory zone (options: North, Centre, South)TotSoil TypeOfEPType of endpoint (options: TotSoil, PoreWat)3844_1745 Location X/Y coordinatesP SubstanceAss Substance assessed (options: P, M1A, M1B, M1C, M1D, M2A, M2B, M2C, M2D)1.00 fRef (-) Refinement factor for final PEC16 PERSAMCropNr PERSAM crop numberCoarse SoilTypeIDSoil texture (options: Coarse, Medium, MediumFine, Fine, VeryFine, Organic)0.12 CntOmSca (kg.kg-1) Topsoil organic matter content4.40 pHInp (-) Topsoil pH647.00 Prc (mm) Mean annual precipitation8.00 Temp (C) Mean annual temperaturePesticide_AName_P Substance name-99 Name_M1A ------II-------99 Name_M1B ------II-------99 Name_M1C ------II-------99 Name_M1D ------II-------99 Name_M2A ------II-------99 Name_M2B ------II-------99 Name_M2C ------II-------99 Name_M2D ------II------300.00 MolMas_P (g.mol-1) Molar mass-99 MolMas_M1A (g.mol-1) ----II-----99 MolMas_M1B (g.mol-1) ----II-----99 MolMas_M1C (g.mol-1) ----II-----99 MolMas_M1D (g.mol-1) ----II-----99 MolMas_M2A (g.mol-1) ----II-----99 MolMas_M2B (g.mol-1) ----II-----99 MolMas_M2C (g.mol-1) ----II-----99 MolMas_M2D (g.mol-1) ----II-----99 P -> M1A (-) Molar formation fraction-99 P -> M1B (-) -----------II------------99 P -> M1C (-) -----------II------------99 P -> M1D (-) -----------II------------99 M1A -> M2A (-) -----------II------------99 M1A -> M2B (-) -----------II------------99 M1A -> M2C (-) -----------II------------99 M1A -> M2D (-) -----------II------------99 M1B -> M2A (-) -----------II------------99 M1B -> M2B (-) -----------II------------99 M1B -> M2C (-) -----------II------------99 M1B -> M2D (-) -----------II------------99 M1C -> M2A (-) -----------II------------99 M1C -> M2B (-) -----------II------------99 M1C -> M2C (-) -----------II------------99 M1C -> M2D (-) -----------II------------99 M1D -> M2A (-) -----------II------------99 M1D -> M2B (-) -----------II------------99 M1D -> M2C (-) -----------II------------99 M1D -> M2D (-) -----------II-----------250.00 DT50Ref_P (d) Half-life time-99 DT50Ref_M1A (d) ------II-------99 DT50Ref_M1B (d) ------II-------99 DT50Ref_M1C (d) ------II-------99 DT50Ref_M1D (d) ------II-------99 DT50Ref_M2A (d) ------II-------99 DT50Ref_M2B (d) ------II-------99 DT50Ref_M2C (d) ------II-------99 DT50Ref_M2D (d) ------II------65.40 MolEntTra_P (kJ.mol-1) Molar activation energy-99 MolEntTra_M1A (kJ.mol-1) ----------II------------99 MolEntTra_M1B (kJ.mol-1) ----------II------------99 MolEntTra_M1C (kJ.mol-1) ----------II------------99 MolEntTra_M1D (kJ.mol-1) ----------II------------99 MolEntTra_M2A (kJ.mol-1) ----------II------------99 MolEntTra_M2B (kJ.mol-1) ----------II------------99 MolEntTra_M2C (kJ.mol-1) ----------II------------99 MolEntTra_M2D (kJ.mol-1) ----------II-----------1000.00 KomEql_P (L.kg-1) Coef. eql. sorption on org. matter-99 KomEql_M1A (L.kg-1) ----------------II-----------------99 KomEql_M1B (L.kg-1) ----------------II-----------------99 KomEql_M1C (L.kg-1) ----------------II-----------------99 KomEql_M1D (L.kg-1) ----------------II-----------------99 KomEql_M2A (L.kg-1) ----------------II-----------------99 KomEql_M2B (L.kg-1) ----------------II-----------------99 KomEql_M2C (L.kg-1) ---------------II-----------------99 -99 KomEql_M2D (L.kg-1) ----------------II----------------0 ZEADTop (m) Top of the evaluation depth0.50 ZEADBot (m) Bottom of the evaluation depth1 DelTimEvt (a) Repeat interval of events (options: 1, 2, 3)0 IntPostApp (d) Time interval for post-application PEC (days after last application)AppSolTil OptApp Application (options: AppCrpUsr, AppSolInj, AppSolTil)10.00 ZApp (m) Application depth (incorporation or injection)1 NrApp (-) Number of applications events* Application table (day - rate (kg.ha-1) - crop interception (fraction of dosage, dimensionless))
table Applications0 1.00 0end_table
PELMO
PERSAM Transfer file (.ptf)
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Tier 3A with PELMO: soil pH-dependent substances
PELMO Graphical shell
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Tier 3A with PELMO: soil pH-dependent substances
Scenario refinement with PELMO
Further substance properties are required at Tier 3 ATime of application is considered at Tier 3 A and will affect water balance
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Tier 3A with PELMO: soil pH-dependent substances
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Tier 3A with PELMO: soil pH-dependent substances
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Tier 3A with PELMO: soil pH-dependent substances
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Tier 3A with PELMO: soil pH-dependent substances
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Tier 3A with PELMO: soil pH-dependent substances
Results of Tier 3 with PELMO
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Tier 3A with PELMO: soil pH-dependent substances
PECs in soil for Central Europe following spray application of compound C
Tier PECmax (TWA=0)
1 (PERSAM) -
2 (PERSAM) 10.63
3 (PELMO) 4.99
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