Environmental Fate Modelling - Landau
Transcript of Environmental Fate Modelling - Landau
Regulatory Affairs Product Safety Consulting Training
Environmental Fate Modelling
February 23rd 2012
Regulatory Affairs Product Safety Consulting Training23 February 2012 FOCUSsw - Part I 2
National Approach –The Netherlands –
TOXSWA v1.2
* following CTGB (2011): Evaluation Manual for the authorization of Plant Protection Products and Biocides, version 1.0, 14 January 2011.
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TOXSWA V.1.2.
Parameter for TOXSWA:
• Entry pathway: Drift
• Application rate for multiple applications (g/m2), simulation time and
application interval
• E-fate parameter: DT50water, DT50sediment, KOM-value,
Freundlich exponent, vapour pressure, water solubility and molar
mass
• Drift values – depending on crops
• Two different scenarios (spring/autumn)
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TOXSWA V.1.2.
Standard scenario:
– 30cm depth
– 40cm bottom width
– Side slope (hor/ver) = 1
– 10 cm Sediment depth
(14 segments)
– 320 m length
(80 cm segments à 4m)
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TOXSWA V.1.2.
Spring Scenario Autumn Scenario
Flow rate (m/d) 10 100
Dispersion coefficient
in water (m/d)
20 20
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TOXSWA V.1.2.
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TOXSWA-Symbol
TOXSWA-GUI
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TOXSWA V.1.2.
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Defintion of the scenario
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TOXSWA V.1.2.
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TOXSWA V.1.2.
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Autumn/spring scenario
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TOXSWA V.1.2.
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Definition of application rate and
application interval
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TOXSWA V.1.2.
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Definition of the
application interval
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TOXSWA V.1.2.
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Definition of the
application interval
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TOXSWA V.1.2.
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Mass (g/m2) = (application rate (g/ha) / 10 000) x drift rate
drift rate: % value /100 (z.B. 1% for field crops = 0.01)
Definition of the application rate
(in g/m2 !!!)
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TOXSWA V.1.2.
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Dutch drift rates
nach CTGB
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TOXSWA V.1.2.
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Substance definition
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TOXSWA V.1.2.
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Substance definition
Create new substance
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TOXSWA V.1.2.
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Pesticide/Trans-
formation
E-Fate Parameter: Degradationin
water and sediment
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TOXSWA V.1.2.
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Pesticide/Sorption(Kom and 1/n)
E-Fate Parameter: Sorption to water and
sediment
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TOXSWA V.1.2.
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Pesticide/Volatilisation
E-Fate Parameter: vapour pressure,
water solubility, molar mass and
exchange coefficient
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TOXSWA V.1.2.
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Simulation time: (total time) =
30 + (Anzahl der Applikationen -1) * Interval
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TOXSWA V.1.2. – DEFAULT VALUES
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Parameter Value Unit
Transformation
Activation energy for transformation rate 65400 J/mol
Sorption
Suspended solids/Sediment
Conc. pesticide at which Kom was observed 0.001 mg/L
Macrophytes
Sorption coefficient 0 L/kg
Volatilization
Saturated gas pressure
Molar enthalpy of vaporization 95000 J/mol
Solubility
Molar enthalpy of solution 27000 J/mol
Diffuson coefficient in water 40 mm2/d
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TOXSWA V.1.2.
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Select scenario and
pesticide and RUN
TOXSWA
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TOXSWA V.1.2.
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Simulation running
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TOXSWA V.1.2.
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Simulation ends
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TOXSWA V.1.2.
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View results
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TOXSWA V.1.2.
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View results
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TOXSWA V.1.2.
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Ergebnisse der Simulation:
PECsw (actual)
PECsw (twa4)
PECsw (twa21)
PECsw (twa28)
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TOXSWA V.1.2.
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Check results: „ec080.out“-Datei c:/TOXSWA/RUNS/…
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Check results: „ec080.out“-Datei c:/TOXSWA/RUNS/…
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g/m3 = µg/L (x1000)
µg/L = mg/kg (/1000/0.08)
(= sediment depth of 80kg/m3)
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TOXSWA V.1.2.
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Scenario-file
=> Choose of the scenario (Spring/Autumn) and
definition of the application rate and application
interval
Pesticide-file
=> definition of the E-Fate Parameters
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TOXSWA V.1.2.
TOXSWA Excercise – Part I:
• GAP:• 3 applications with 1.4 kg/ha in potatoes(0.0014 g/m2 bei 1% Drift [field
crops])
• Application interval: 14 days
• E-Fate Parameter:• Molecular Mass: 634 g/mol
• Vapour pressure: 9.9E-9 Pa
• Water solubility: 1.99 g/L
• KOC-Wert: 1000 L/kg (KOM-Wert: 580 L/kg)
• Freundlich Exponent: 1.0
• DT50 water: 0.49 Tage
• DT50 sediment: 6.38 Tage
• Exchange coefficient in liquid phase: 1.26
• Exchange coefficient in gas phase:12123 February 2012 FOCUSsw - Part I 32
=> Create Pesticide-file (E-fate parameter and default values)
=> Create Scenario-files (application interval and drift rate)
=> Simulation time
=> Present Results: PECsw (actual), PECsw (twa4), PECsw (twa21), PECsw (twa28)
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TOXSWA V.1.2.
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GAP:
•5 applications with 0.6 kg/ha in der Kultur Oliven (Aufwandmenge: ??? g/m2;
7% Drift for fruit crops)
•Applicaton interval 7 days
•E-Fate Parameter:• Molecular Mass: 230 g/mol
• vapour pressure: 0.1 Pa
• Water solubility: 5.4 mg/L
• KOC-Wert: 133 L/kg (KOM-Wert: 77 L/kg)
• Freundlich Exponent: 0.8
• DT50 water: 25 Tage
• DT50 sediment: 30 Tage
• Exchange coefficient in liquid phase: 2.1
• Exchange coefficient in gas phase: 201
TOXSWA Excercise – Part II:
=> Create Pesticide-file (E-fate parameter and default values)
=> Create Scenario-files (application interval and drift rate)
=> Simulation time
=> Present Results: PECsw (actual), PECsw (twa4), PECsw
(twa21), PECsw (twa28)