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

developed by Michael Klein          

Program version:                    	0.9 (13 November 2007)
Date of this simulation:      	13/11/2007, 11:09:51
Calculation problem: 	Program check

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

Soil density (kg/L) :               	1.5
Soil depth (cm):                    	5.0

APPLICATION PATTERN USED IN THE CALCULATION

Application rate (g/ha):      	1000
Crop interception (%):        	0

COMPOUNDS CONSIDERED IN THE CALCULATION

Metabolism scheme:	Active compound and a sequence of two metabolites

Compound	Molecular mass(g/mol)	Formation (%)
Testicide	250
Metabolidan	200                       	80
Metabolic acid	150                       	50

DEGRADATION KINETICS PARAMETERS CONSIDERED FOR THE CALCULATION

Soil study:              	erste Studie

Metabolism scheme:	Active compound and a sequence of two metabolites

Kinetics for Testicide:	Double First Order in Parallel (DFOP)
Rate constant 1 (1/d)	0.1
Rate constant 2 (1/d)	0.002
Parameter g	0.4

Kinetics for Metabolidan:	Single First order (SFO)
Rate constant (1/d)	0.05

Kinetics for Metabolic acid:	Single First order (SFO)
Rate constant (1/d)	0.05

RESULTS OF THE CALCULATION

Metabolism scheme:	Active compound and a sequence of two metabolites

Maximum concentration in soil for Testicide(mg/kg): 	1.3333 ocurring on day 0

Calculated time dependent concentrations in soil  for Testicide(mg/kg)

          Time(d)             	     PECactual             	       PECtwa             	
                   1 d             	      1.2810             	      1.3072             	
                   2 d             	      1.2335             	      1.2822             	
                   4 d             	      1.1511             	      1.2367             	
                   7 d             	      1.0537             	      1.1783             	
                 14 d             	      0.9094             	      1.0762             	
                 21 d             	      0.8324             	      1.0065             	
                 28 d             	      0.7889             	      0.9571             	
                 42 d             	      0.7435             	      0.8925             	
                 50 d             	      0.7275             	      0.8673             	
               100 d             	      0.6550             	      0.7785             	

Maximum concentration in soil for Metabolidan(mg/kg): 	0.1854 ocurring on day 14

Calculated time dependent concentrations in soil  for Metabolidan(mg/kg)

          Time(d)             	     PECactual             	       PECtwa             	
                   1 d             	      0.1854             	      0.1854             	
                   2 d             	      0.1846             	      0.1852             	
                   4 d             	      0.1811             	      0.1848             	
                   7 d             	      0.1726             	      0.1838             	
                 14 d             	      0.1454             	      0.1790             	
                 21 d             	      0.1171             	      0.1717             	
                 28 d             	      0.0927             	      0.1628             	
                 42 d             	      0.0582             	      0.1431             	
                 50 d             	      0.0457             	      0.1322             	
               100 d             	      0.0197             	      0.0846             	

Maximum concentration in soil for Metabolic acid(mg/kg): 	0.0295 ocurring on day 27

Calculated time dependent concentrations in soil  for Metabolic acid(mg/kg)

          Time(d)                   	     PECactual                   	       PECtwa                   	
                   1 d                   	      0.0294                   	      0.0294                   	
                   2 d                   	      0.0292                   	      0.0294                   	
                   4 d                   	      0.0288                   	      0.0294                   	
                   7 d                   	      0.0277                   	      0.0293                   	
                 14 d                   	      0.0243                   	      0.0288                   	
                 21 d                   	      0.0203                   	      0.0281                   	
                 28 d                   	      0.0166                   	      0.0271                   	
                 42 d                   	      0.0110                   	      0.0248                   	
                 50 d                   	      0.0088                   	      0.0234                   	
               100 d                   	      0.0038                   	      0.0159                   	

GRAPHIC REPRESENTATION OF THE CALCULATION