E S C A P E
Estimation of Soil Concentrations After PEsticide Applications

developed by Michael Klein          

Program version:                    	2.0 (5 September 2017)
Date of this simulation:      	11/07/2018, 16:06:26
Calculation problem: 	Programcheck

PROGRAM SETTINGS

Calculation mode:                   	Residues from different applications are considered separately over one year
Application mode:                   	Single annual application pattern (calculation period 1 year)

SCENARIO DATA USED IN THE CALCULATION   

Name of the scenario:                        	PERLKA
Name of the soil:                                     	Borstel
Soil density (kg/L):                                    	1.5
Soil depth (cm):                                    	10
Tillage depth (cm)*:                            	20
Organic carbon content (%):            	1.5
Field capacity (Vol%):                          	29.2
Wilting point (Vol%):                             	6.4

Climatic conditions:                        	20 °C constant
(* for calculation of background concentrations)

APPLICATION PATTERN USED IN THE CALCULATION

Crop rotation:               	every year

Application date:             	1 May
Application rate (g/ha):      	200000
Crop interception (%):        	0

COMPOUNDS CONSIDERED IN THE CALCULATION

Metabolism scheme:	Active compound and a single metabolite

Compound	Molecular mass(g/mol)	Formation (%)
Perlka	80.11
Cyanamid	42.04                       	200	100

DEGRADATION KINETICS PARAMETERS CONSIDERED FOR THE CALCULATION

Soil study:              	soil study 1

Metabolism scheme:	Active compound and a single metabolite

Kinetics for Perlka:	Single First order (SFO)
DT50 (d):	1
Rate constant (1/d):	0.6931
Q10-factor:	2.58
Walker-exponent:	0.7
Ref. temperature (°C):	12

Kinetics for Cyanamid:	Single First order (SFO)
DT50 (d):	1.4
Rate constant (1/d):	0.4951
Q10-factor:	2.58
Walker-exponent:	0.7
Ref. temperature (°C):	20

RESULTS OF THE CALCULATION

Metabolism scheme:	Active compound and a single metabolite

RESULTS FOR: Perlka

Calculations over one year

Maximum annual total soil concentration for Perlka over 10 cm(mg/kg): 	133.3333 occurring on day 0

Calculated time dependent total soil concentrations over 10 cm for Perlka after one year (mg/kg)

Time(d)	PECact*	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	30.3662	81.8498	0	1
2	6.9158	50.2454	0	2
4	0.3587	26.4258	0	4
7	0.0042	15.1407	0	7
14	<0.0001	7.5706	0	14
21	<0.0001	5.0471	0	21
28	<0.0001	3.7853	0	28
42	<0.0001	2.5235	0	42
50	<0.0001	2.1198	0	50
100	<0.0001	1.0599	0	100
(* PECact values are related to the time after the first application)

Calculation of background concentrations after many years

Final Background concentration in total soil for Perlka over 20 cm(mg/kg)*:            	<0.0001**

(*   estimated to occur within 10 years without crop rotation)
(**  according to the estimation 100% of the final plateau was reached after 10 years without crop rotation)

Reduction factor to account for crop rotation: 	1

Final Background concentration in total soil including crop rotation(mg/kg):            	<0.0001

Calculations of concentrations considering accumulation after many years of application

Maximum total soil concentration for Perlka over 10 cm considering accumulation* (mg/kg)	133.3333
(* a tillage depth of 20 cm was considered for calculating the background concentration)

Calculated time dependent total soil concentrations  over 10 cm for Perlka(mg/kg) considering accumulation*

Time(d)	PECact**	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	30.3662	81.8498	0	1
2	6.9158	50.2454	0	2
4	0.3587	26.4258	0	4
7	0.0042	15.1407	0	7
14	<0.0001	7.5706	0	14
21	<0.0001	5.0471	0	21
28	<0.0001	3.7853	0	28
42	<0.0001	2.5235	0	42
50	<0.0001	2.1198	0	50
100	<0.0001	1.0599	0	100
(*  a tillage depth of 20 cm was considered for calculating the background concentration)
(** PECact values are related to the time after the first application)

RESULTS FOR: Cyanamid

Calculations over one year

Maximum annual total soil concentration for Cyanamid over 10 cm(mg/kg): 	54.0349 occurring on day 1^
(^ This is 38.61 % of the theoretical maximum concentration of the metabolite)

Calculated time dependent total soil concentrations over 10 cm for Cyanamid after one year (mg/kg)

Time(d)	PECact*	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	45.2409	49.6379	1	2
2	30.3774	43.7235	1	3
4	11.8196	34.8075	0	4
7	2.6949	24.2961	0	7
14	0.0842	12.7786	0	14
21	0.0026	8.5322	0	21
28	0.0001	6.3994	0	28
42	<0.0001	4.2663	0	42
50	<0.0001	3.5837	0	50
100	<0.0001	1.7918	0	100
(* PECact values  are related to the time after the maximum concentration)

Calculation of background concentrations after many years

Final Background concentration in total soil for Cyanamid over 20 cm(mg/kg)*:            	<0.0001**

(*   estimated to occur within 10 years without crop rotation)
(**  according to the estimation 100% of the final plateau was reached after 10 years without crop rotation)

Reduction factor to account for crop rotation: 	1

Final Background concentration in total soil including crop rotation(mg/kg):            	<0.0001

Calculations of concentrations considering accumulation after many years of application

Maximum total soil concentration for Cyanamid over 10 cm considering accumulation* (mg/kg)	54.0349
(* a tillage depth of 20 cm was considered for calculating the background concentration)

Calculated time dependent total soil concentrations  over 10 cm for Cyanamid(mg/kg) considering accumulation*

Time(d)	PECact**	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	45.2409	49.6379	1	2
2	30.3774	43.7235	1	3
4	11.8196	34.8075	0	4
7	2.6949	24.2961	0	7
14	0.0842	12.7786	0	14
21	0.0026	8.5322	0	21
28	0.0001	6.3994	0	28
42	<0.0001	4.2663	0	42
50	<0.0001	3.5837	0	50
100	<0.0001	1.7918	0	100
(*  a tillage depth of 20 cm was considered for calculating the background concentration)
(** PECact values  are related to the time after the maximum concentration)'

GRAPHIC REPRESENTATION OF THE CALCULATION