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authorJohannes Ranke <jranke@uni-bremen.de>2016-09-27 23:00:48 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2016-09-27 23:00:48 +0200
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-% Generated by roxygen2: do not edit by hand
-% Please edit documentation in R/PEC_soil.R
-\name{PEC_soil}
-\alias{PEC_soil}
-\title{Calculate predicted environmental concentrations in soil}
-\usage{
-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{
-\item{rate}{Application rate in units specified below}
-
-\item{rate_units}{Defaults to g/ha}
-
-\item{interception}{The fraction of the application rate that does not reach the soil}
-
-\item{mixing_depth}{Mixing depth in cm}
-
-\item{PEC_units}{Requested units for the calculated PEC. Only mg/kg currently supported}
-
-\item{PEC_pw_units}{Only mg/L currently supported}
-
-\item{interval}{Period of the deeper mixing, defaults to 365, which is a year if
-rate units are in days}
-
-\item{n_periods}{Number of periods to be considered for long term PEC calculations}
-
-\item{tillage_depth}{Periodic (see interval) deeper mixing in cm}
-
-\item{chent}{An optional chent object holding substance specific information. Can
-also be a name for the substance as a character string}
-
-\item{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}
-
-\item{Koc}{If specified, overrides Koc endpoints from a chent object}
-
-\item{Kom}{Calculated from Koc by default, but can explicitly be specified
-as Kom here}
-
-\item{t_avg}{Averaging times for time weighted average concentrations}
-
-\item{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",
-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),
-and corrected using an Arrhenius activation energy of 65.4 kJ/mol. Also
-model and scenario adjustment factors from the EFSA guidance are used.}
-
-\item{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).}
-}
-\value{
-The predicted concentration in soil
-}
-\description{
-This is a basic calculation of a contaminant concentration in bulk soil
-based on complete, instantaneous mixing. If an interval is given, an
-attempt is made at calculating a long term maximum concentration using
-the concepts layed out for example in the PPR panel opinion (EFSA 2012).
-}
-\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
-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
-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'.
-}
-\examples{
-PEC_soil(100, interception = 0.25)
-
-# This is example 1 starting at p. 79 of the EFSA guidance (2015)
-PEC_soil(1000, interval = 365, DT50 = 250, t_avg = c(0, 21),
- scenarios = "EFSA_2015")
-PEC_soil(1000, interval = 365, DT50 = 250, t_av = c(0, 21),
- Kom = 1000, scenarios = "EFSA_2015", porewater = TRUE)
-
-# The following is from example 4 starting at p. 85 of the EFSA guidance (2015)
-# Metabolite M2
-# Calculate total and porewater soil concentrations for tier 1 scenarios
-# Relative molar mass is 100/300, formation fraction is 0.7 * 1
-results_pfm <- PEC_soil(100/300 * 0.7 * 1 * 1000, interval = 365, DT50 = 250, t_avg = c(0, 21),
- scenarios = "EFSA_2015")
-results_pfm_pw <- PEC_soil(100/300 * 0.7 * 1000, interval = 365, DT50 = 250, t_av = c(0, 21),
- Kom = 100, scenarios = "EFSA_2015", porewater = TRUE)
-}
-\author{
-Johannes Ranke
-}
-\references{
-EFSA Panel on Plant Protection Products and their Residues (2012)
- Scientific Opinion on the science behind the guidance for scenario
- selection and scenario parameterisation for predicting environmental
- concentrations of plant protection products in soil. \emph{EFSA Journal}
- \bold{10}(2) 2562, doi:10.2903/j.efsa.2012.2562
-
- 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. \emph{EFSA Journal} \bold{13}(4) 4093
- doi:10.2903/j.efsa.2015.4093
-}
-

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