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)

23 February 2012 FOCUSsw - Part I 3

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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.

23 February 2012 FOCUSsw - Part I 6

TOXSWA-Symbol

TOXSWA-GUI

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TOXSWA V.1.2.

23 February 2012 FOCUSsw - Part I 7

Defintion of the scenario

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TOXSWA V.1.2.

23 February 2012 FOCUSsw - Part I 8

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TOXSWA V.1.2.

23 February 2012 FOCUSsw - Part I 9

Autumn/spring scenario

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TOXSWA V.1.2.

23 February 2012 FOCUSsw - Part I 10

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.

23 February 2012 FOCUSsw - Part I 12

Definition of the

application interval

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TOXSWA V.1.2.

23 February 2012 FOCUSsw - Part I 13

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.

23 February 2012 FOCUSsw - Part I 16

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.

23 February 2012 FOCUSsw - Part I 18

Pesticide/Sorption(Kom and 1/n)

E-Fate Parameter: Sorption to water and

sediment

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TOXSWA V.1.2.

23 February 2012 FOCUSsw - Part I 19

Pesticide/Volatilisation

E-Fate Parameter: vapour pressure,

water solubility, molar mass and

exchange coefficient

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TOXSWA V.1.2.

23 February 2012 FOCUSsw - Part I 20

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.

23 February 2012 FOCUSsw - Part I 23

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.

23 February 2012 FOCUSsw - Part I 26

View results

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TOXSWA V.1.2.

23 February 2012 FOCUSsw - Part I 27

Ergebnisse der Simulation:

PECsw (actual)

PECsw (twa4)

PECsw (twa21)

PECsw (twa28)

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TOXSWA V.1.2.

23 February 2012 FOCUSsw - Part I 28

Check results: „ec080.out“-Datei c:/TOXSWA/RUNS/…

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TOXSWA V.1.2.

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Check results: „ec080.out“-Datei c:/TOXSWA/RUNS/…

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TOXSWA V.1.2.

23 February 2012 FOCUSsw - Part I 30

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.

23 February 2012 FOCUSsw - Part I 31

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.

23 February 2012 FOCUSsw - Part I 33

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)