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

developed by Michael Klein          

Program version:                    	2.0 (21 September 2018)
Date of this simulation:      	20/11/2019, 13:40:18
Calculation problem: 	Perlka mit Urea und 300 kg 15 cm 

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 300 kg pro ha oder 135 kg CaCN2
Name of the soil:                                     	Standard soil
Soil density (kg/L):                                    	1.5
Soil depth (cm):                                    	15
Tillage depth (cm)*:                            	20
Organic carbon content (%):            	1.5
Field capacity (Vol%):                          	29.2
Wilting point (Vol%):                             	6.4

Climatic conditions:                        	12 °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):      	135000
Crop interception (%):        	0

COMPOUNDS CONSIDERED IN THE CALCULATION

Metabolism scheme:	Active compound and a sequence of two metabolites

Compound	Molecular mass(g/mol)	Formation (%)
Perlka	80.11
Cyanamid	42.04                       	4          	100
Urea	60.06                       	7.2          	95.7

DEGRADATION KINETICS PARAMETERS CONSIDERED FOR THE CALCULATION

Soil study:              	Most Recent Input Data

Metabolism scheme:	Active compound and a sequence of two metabolites

Kinetics for Perlka:	Single First order (SFO)
DT50 (d):	0.721
Rate constant (1/d):	0.9614
Q10-factor:	2.2
Walker-exponent:	0.7
Ref. temperature (°C):	20

Kinetics for Cyanamid:	Single First order (SFO)
DT50 (d):	0.78
Rate constant (1/d):	0.8887
Q10-factor:	2.2
Walker-exponent:	0.0
Ref. temperature (°C):	20

Kinetics for Urea:	Single First order (SFO)
DT50 (d):	3.9
Rate constant (1/d):	0.1777
Q10-factor:	2.2
Walker-exponent:	0.7
Ref. temperature (°C):	20

RESULTS OF THE CALCULATION

Metabolism scheme:	Active compound and a sequence of two metabolites

RESULTS FOR: Perlka

Calculations over one year

Maximum annual total soil concentration for Perlka over 15 cm(mg/kg): 	60.0000 occurring on day 0

Calculated time dependent total soil concentrations over 15 cm for Perlka after one year (mg/kg)

Time(d)	PECact*	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	35.9712	47.9856	0	1
2	21.5655	38.3770	0	2
4	7.7512	26.0853	0	4
7	1.6702	16.6407	0	7
14	0.0465	8.5520	0	14
21	0.0013	5.7056	0	21
28	<0.0001	4.2793	0	28
42	<0.0001	2.8529	0	42
50	<0.0001	2.3964	0	50
100	<0.0001	1.1982	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**

(**  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 15 cm considering accumulation* (mg/kg)	60.0000
(* a tillage depth of 20 cm was considered for calculating the background concentration)

Calculated time dependent total soil concentrations  over 15 cm for Perlka(mg/kg) considering accumulation*

Time(d)	PECact**	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	35.9712	47.9856	0	1
2	21.5655	38.3770	0	2
4	7.7512	26.0853	0	4
7	1.6702	16.6407	0	7
14	0.0465	8.5520	0	14
21	0.0013	5.7056	0	21
28	<0.0001	4.2793	0	28
42	<0.0001	2.8529	0	42
50	<0.0001	2.3964	0	50
100	<0.0001	1.1982	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 15 cm(mg/kg): 	15.4179 occurring on day 2^
(^ This is 36.72 % of the theoretical maximum concentration of the metabolite)

Calculated time dependent total soil concentrations over 15 cm for Cyanamid after one year (mg/kg)

Time(d)	PECact*	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	14.1404	14.7792	2	3
2	11.5291	14.3965	1	3
4	6.4691	12.9498	1	5
7	2.2222	10.1841	0	7
14	0.1273	5.9181	0	14
21	0.0059	3.9774	0	21
28	0.0003	2.9842	0	28
42	<0.0001	1.9895	0	42
50	<0.0001	1.6712	0	50
100	<0.0001	0.8356	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**

(**  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 15 cm considering accumulation* (mg/kg)	15.4179
(* a tillage depth of 20 cm was considered for calculating the background concentration)

Calculated time dependent total soil concentrations  over 15 cm for Cyanamid(mg/kg) considering accumulation*

Time(d)	PECact**	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	14.1404	14.7792	2	3
2	11.5291	14.3965	1	3
4	6.4691	12.9498	1	5
7	2.2222	10.1841	0	7
14	0.1273	5.9181	0	14
21	0.0059	3.9774	0	21
28	0.0003	2.9842	0	28
42	<0.0001	1.9895	0	42
50	<0.0001	1.6712	0	50
100	<0.0001	0.8356	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)'

RESULTS FOR: Urea

Calculations over one year

Maximum annual total soil concentration for Urea over 15 cm(mg/kg): 	22.4707 occurring on day 6^
(^ This is 37.47 % of the theoretical maximum concentration of the metabolite)

Calculated time dependent total soil concentrations over 15 cm for Urea after one year (mg/kg)

Time(d)	PECact*	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	22.1446	22.3077	6	7
2	20.9174	22.1258	5	7
4	17.1971	21.4572	5	9
7	11.4244	20.0219	4	11
14	3.5941	15.7118	2	16
21	1.0502	11.9042	1	22
28	0.3033	9.2935	1	29
42	0.0252	6.2865	1	43
50	0.0061	5.2859	1	51
100	<0.0001	2.6438	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 Urea over 20 cm(mg/kg):            	<0.0001**

(**  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 Urea over 15 cm considering accumulation* (mg/kg)	22.4707
(* a tillage depth of 20 cm was considered for calculating the background concentration)

Calculated time dependent total soil concentrations  over 15 cm for Urea(mg/kg) considering accumulation*

Time(d)	PECact**	PECtwa	Begin TWAframe(d)	End TWAframe(d)
1	22.1446	22.3077	6	7
2	20.9174	22.1258	5	7
4	17.1971	21.4572	5	9
7	11.4244	20.0219	4	11
14	3.5941	15.7118	2	16
21	1.0502	11.9042	1	22
28	0.3033	9.2935	1	29
42	0.0252	6.2865	1	43
50	0.0061	5.2859	1	51
100	<0.0001	2.6438	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