From 36036b5901223591e7e21e8b73d8cd1fb034f4cb Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 16 May 2017 15:43:50 +0200 Subject: Finish the Step 1 calculator including tests Some cleaning up. PELMO facilities do not currently work at my end, as I have no working wine installation on this computer --- docs/reference/PEC_soil.html | 133 +++++++++++++++++++++++++++---------------- 1 file changed, 84 insertions(+), 49 deletions(-) (limited to 'docs/reference/PEC_soil.html') diff --git a/docs/reference/PEC_soil.html b/docs/reference/PEC_soil.html index 0449f8e..4b1b7b9 100644 --- a/docs/reference/PEC_soil.html +++ b/docs/reference/PEC_soil.html @@ -25,12 +25,14 @@ - + + + @@ -76,62 +78,95 @@ attempt is made at calculating a long term maximum concentration using the concepts layed out for example in the PPR panel opinion (EFSA 2012).

- 
PEC_soil(rate, rate_units = "g/ha", interception = 0, mixing_depth = 5,
+    
PEC_soil(rate, rate_units = "g/ha", interception = 0, mixing_depth = 5,
   PEC_units = "mg/kg", PEC_pw_units = "mg/L", interval = NA,
   n_periods = Inf, tillage_depth = 20, chent = NA, DT50 = NA,
   Koc = NA, Kom = Koc/1.724, t_avg = 0, scenarios = c("default",
   "EFSA_2015"), porewater = FALSE)

     
     
 Arguments

-    

-      
rate

-      
Application rate in units specified below

-      
rate_units

-      
Defaults to g/ha

-      
interception

-      
The fraction of the application rate that does not reach the soil

-      
mixing_depth

-      
Mixing depth in cm

-      
PEC_units

-      
Requested units for the calculated PEC. Only mg/kg currently supported

-      
PEC_pw_units

-      
Only mg/L currently supported

-      
interval

-      
Period of the deeper mixing, defaults to 365, which is a year if
-rate units are in days

-      
n_periods

-      
Number of periods to be considered for long term PEC calculations

-      
tillage_depth

-      
Periodic (see interval) deeper mixing in cm

-      
chent

-      
An optional chent object holding substance specific information. Can 
-also be a name for the substance as a character string

-      
DT50

-      
If specified, overrides soil DT50 endpoints from a chent object
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rate
Application rate in units specified below
rate_units
Defaults to g/ha
interception
The fraction of the application rate that does not reach the soil
mixing_depth
Mixing depth in cm
PEC_units
Requested units for the calculated PEC. Only mg/kg currently supported
PEC_pw_units
Only mg/L currently supported
interval
Period of the deeper mixing, defaults to 365, which is a year if
+rate units are in days
n_periods
Number of periods to be considered for long term PEC calculations
tillage_depth
Periodic (see interval) deeper mixing in cm
chent
An optional chent object holding substance specific information. Can 
+also be a name for the substance as a character string
DT50
If specified, overrides soil DT50 endpoints from a chent object
 If DT50 is not specified here and not available from the chent object, zero
-degradation is assumed
-      
Koc

-      
If specified, overrides Koc endpoints from a chent object

-      
Kom

-      
Calculated from Koc by default, but can explicitly be specified
-as Kom here

-      
t_avg

-      
Averaging times for time weighted average concentrations

-      
scenarios

-      
If this is 'default', the DT50 will be used without correction
+degradation is assumed
Koc
If specified, overrides Koc endpoints from a chent object
Kom
Calculated from Koc by default, but can explicitly be specified
+as Kom here
t_avg
Averaging times for time weighted average concentrations
scenarios
If this is 'default', the DT50 will be used without correction
 and soil properties as specified in the REACH guidance (R.16, Table
-R.16-9) are used for porewater PEC calculations.  If this is "EFSA_2015",
+R.16-9) are used for porewater PEC calculations.  If this is "EFSA_2015",
 the DT50 is taken to be a modelling half-life at 20°C and pF2 (for when
-'chents' is specified, the DegT50 with destination 'PECgw' will be used),
+'chents' is specified, the DegT50 with destination 'PECgw' will be used),
 and corrected using an Arrhenius activation energy of 65.4 kJ/mol. Also
-model and scenario adjustment factors from the EFSA guidance are used.
-      
porewater

-      
Should equilibrium porewater concentrations be estimated
+model and scenario adjustment factors from the EFSA guidance are used.
porewater
Should equilibrium porewater concentrations be estimated
 based on Kom and the organic carbon fraction of the soil instead of total
 soil concentrations?  Based on equation (7) given in the PPR panel opinion
 (EFSA 2012, p. 24) and the scenarios specified in the EFSA guidance (2015,
-p. 13).
-    
+p. 13).

     
     
Value

 
@@ -140,18 +175,18 @@ p. 13).

     
Details

 
     
This assumes that the complete load to soil during the time specified by
-'interval' (typically 365 days) is dosed at once. As in the PPR panel
+'interval' (typically 365 days) is dosed at once. As in the PPR panel
 opinion cited below (PPR panel 2012), only temperature correction using the
 Arrhenius equation is performed.

-    
Total soil and porewater PEC values for the scenarios as defined in the EFSA
+
Total soil and porewater PEC values for the scenarios as defined in the EFSA
 guidance (2015, p. 13) can easily be calculated.

     
     
Note

 
     
If temperature information is available in the selected scenarios, as
   e.g. in the EFSA scenarios, the DT50 for groundwater modelling
-  (destination 'PECgw') is taken from the chent object, otherwise the DT50
-  with destination 'PECsoil'.

+  (destination 'PECgw') is taken from the chent object, otherwise the DT50
+  with destination 'PECsoil'.

     
     
References

 
@@ -160,7 +195,7 @@ guidance (2015, p. 13) can easily be calculated.

   selection and scenario parameterisation for predicting environmental
   concentrations of plant protection products in soil. EFSA Journal
   10(2) 2562, doi:10.2903/j.efsa.2012.2562

-    
EFSA (European Food Safety Authority) (2015) EFSA guidance document for
+
EFSA (European Food Safety Authority) (2015) EFSA guidance document for
   predicting environmental concentrations of active substances of plant
   protection products and transformation products of these active substances
   in soil. EFSA Journal 13(4) 4093
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