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, 16:20:54
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):                                    	5
Tillage depth (cm)*:                            	5
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):      	250000
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 5 cm(mg/kg): 	333.3333 occurring on day 0

Calculated time dependent total soil concentrations over 5 cm for Perlka after one year (mg/kg)

Time(d)	PECact*	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	75.9156	204.6245	0	1
2	17.2895	125.6135	0	2
4	0.8968	66.0645	0	4
7	0.0106	37.8518	0	7
14	<0.0001	18.9265	0	14
21	<0.0001	12.6177	0	21
28	<0.0001	9.4632	0	28
42	<0.0001	6.3088	0	42
50	<0.0001	5.2994	0	50
100	<0.0001	2.6497	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 5 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 5 cm considering accumulation* (mg/kg)	333.3333
(* a tillage depth of 5 cm was considered for calculating the background concentration)

Calculated time dependent total soil concentrations  over 5 cm for Perlka(mg/kg) considering accumulation*

Time(d)	PECact**	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	75.9156	204.6245	0	1
2	17.2895	125.6135	0	2
4	0.8968	66.0645	0	4
7	0.0106	37.8518	0	7
14	<0.0001	18.9265	0	14
21	<0.0001	12.6177	0	21
28	<0.0001	9.4632	0	28
42	<0.0001	6.3088	0	42
50	<0.0001	5.2994	0	50
100	<0.0001	2.6497	0	100
(*  a tillage depth of 5 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 5 cm(mg/kg): 	135.0873 occurring on day 1^
(^ This is 77.23 % of the theoretical maximum concentration of the metabolite)

Calculated time dependent total soil concentrations over 5 cm for Cyanamid after one year (mg/kg)

Time(d)	PECact*	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	113.1023	124.0948	1	2
2	75.9434	109.3088	1	3
4	29.5489	87.0187	0	4
7	6.7373	60.7403	0	7
14	0.2106	31.9464	0	14
21	0.0066	21.3305	0	21
28	0.0002	15.9986	0	28
42	<0.0001	10.6658	0	42
50	<0.0001	8.9592	0	50
100	<0.0001	4.4796	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 5 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 5 cm considering accumulation* (mg/kg)	135.0873
(* a tillage depth of 5 cm was considered for calculating the background concentration)

Calculated time dependent total soil concentrations  over 5 cm for Cyanamid(mg/kg) considering accumulation*

Time(d)	PECact**	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	113.1023	124.0948	1	2
2	75.9434	109.3088	1	3
4	29.5489	87.0187	0	4
7	6.7373	60.7403	0	7
14	0.2106	31.9464	0	14
21	0.0066	21.3305	0	21
28	0.0002	15.9986	0	28
42	<0.0001	10.6658	0	42
50	<0.0001	8.9592	0	50
100	<0.0001	4.4796	0	100
(*  a tillage depth of 5 cm was considered for calculating the background concentration)
(** PECact values  are related to the time after the maximum concentration)'

GRAPHIC REPRESENTATION OF THE CALCULATION