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-rw-r--r--R/PEC_sw_exposit_runoff.R105
1 files changed, 90 insertions, 15 deletions
diff --git a/R/PEC_sw_exposit_runoff.R b/R/PEC_sw_exposit_runoff.R
index 733f621..a9cbf07 100644
--- a/R/PEC_sw_exposit_runoff.R
+++ b/R/PEC_sw_exposit_runoff.R
@@ -12,8 +12,8 @@
#' \item{bound}{The percentage of the applied substance transferred to an
#' adjacent water body bound to eroding particles}
#' }
-#' @source Excel 3.01 spreadsheet available from
-#' \url{https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3}
+#' @source Excel 3.02 spreadsheet available from
+#' \url{https://www.bvl.bund.de/EN/04_PlantProtectionProducts/03_Applicants/04_AuthorisationProcedure/08_Environment/ppp_environment_node.html}
#' @export perc_runoff_exposit
#' @examples
#' print(perc_runoff_exposit)
@@ -39,13 +39,13 @@ rownames(perc_runoff_exposit) <- Koc_classes
#' \item{dissolved}{The reduction percentage for the dissolved phase}
#' \item{bound}{The reduction percentage for the particulate phase}
#' }
-#' @source Excel 3.01 spreadsheet available from
-#' \url{https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3}
+#' @source Excel 3.02 spreadsheet available from
+#' \url{https://www.bvl.bund.de/EN/04_PlantProtectionProducts/03_Applicants/04_AuthorisationProcedure/08_Environment/ppp_environment_node.html}
#' @export
#' @examples
#' print(perc_runoff_reduction_exposit)
perc_runoff_reduction_exposit <- list(
- "3.01" = data.frame(
+ "3.02" = data.frame(
dissolved = c(0, 40, 60, 80),
bound = c(0, 40, 85, 95),
row.names = c("No buffer", paste(c(5, 10, 20), "m"))),
@@ -57,16 +57,18 @@ perc_runoff_reduction_exposit <- list(
#' Calculate PEC surface water due to runoff and erosion as in Exposit 3
#'
-#' This is a reimplementation of the calculation described in the Exposit 3.01 spreadsheet file,
-#' in the worksheet "Konzept Runoff". Calculation of sediment PEC values is not implemented.
+#' This is a reimplementation of the calculation described in the Exposit 3.02 spreadsheet file,
+#' in the worksheet "Konzept Runoff".
#'
#' @param rate The application rate in g/ha
+#' @param interception The fraction intercepted by the crop
#' @param Koc The sorption coefficient to soil organic carbon
#' @param DT50 The soil half-life in days
#' @param t_runoff The time between application and the runoff event, where degradation occurs, in days
#' @param exposit_reduction_version The version of the reduction factors to be used
#' @param V_ditch The volume of the ditch is assumed to be 1 m * 100 m * 30 cm = 30 m3
#' @param V_event The unreduced runoff volume, equivalent to 10 mm precipitation on 1 ha
+#' @param dilution The dilution factor
#' @return A list containing the following components
#' \describe{
#' \item{perc_runoff}{The runoff percentages for dissolved and bound substance}
@@ -75,17 +77,17 @@ perc_runoff_reduction_exposit <- list(
#' for the different distances. If the rate was given in g/ha, the PECsw are in microg/L.}
#' }
#' @export
-#' @source Excel 3.01 spreadsheet available from
+#' @source Excel 3.02 spreadsheet available from
#' \url{https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3}
#' @seealso \code{\link{perc_runoff_exposit}} for runoff loss percentages and \code{\link{perc_runoff_reduction_exposit}} for runoff reduction percentages used
#' @examples
-#' PEC_sw_exposit_runoff(500, 150)
-PEC_sw_exposit_runoff <- function(rate, Koc, DT50 = Inf, t_runoff = 3,
- exposit_reduction_version = c("3.01", "2.0"),
- V_ditch = 30, V_event = 100)
+#' PEC_sw_exposit_runoff(500, Koc = 150)
+PEC_sw_exposit_runoff <- function(rate, interception = 0, Koc, DT50 = Inf, t_runoff = 3,
+ exposit_reduction_version = c("3.02", "2.0"),
+ V_ditch = 30, V_event = 100, dilution = 2)
{
k_deg <- log(2)/DT50
- input <- rate * 1 * exp(-k_deg * t_runoff) # assumes 1 ha treated area
+ input <- rate * (1 - interception) * 1 * exp(-k_deg * t_runoff) # assumes 1 ha treated area
if (length(Koc) > 1) stop("Only one compound at a time supported")
@@ -96,8 +98,8 @@ PEC_sw_exposit_runoff <- function(rate, Koc, DT50 = Inf, t_runoff = 3,
transfer_runoff <- 1 - reduction_runoff
V_runoff <- V_event * (1 - reduction_runoff[["dissolved"]]) # m3
- V_ditch_runoff <- V_ditch + V_runoff
- V_flowing_ditch_runoff <- 2 * V_ditch_runoff
+ V_flowing_ditch_runoff <- dilution * (V_ditch + V_runoff)
+
f_runoff_exposit <- function(Koc) {
Koc_breaks <- c(perc_runoff_exposit$Koc_lower_bound, Inf)
Koc_classes <- as.character(cut(Koc, Koc_breaks, labels = rownames(perc_runoff_exposit)))
@@ -118,3 +120,76 @@ PEC_sw_exposit_runoff <- function(rate, Koc, DT50 = Inf, t_runoff = 3,
PEC_sw_runoff = PEC_sw_runoff)
return(result)
}
+
+#' Calculate PEC surface water due to drainage as in Exposit 3
+#'
+#' This is a reimplementation of the calculation described in the Exposit 3.02 spreadsheet file,
+#' in the worksheet "Konzept Drainage". Although there are four groups of
+#' compounds ("Gefährdungsgruppen"), only one distinction is made in the
+#' calculations, between compounds with low mobility (group 1) and compounds
+#' with modest to high mobility (groups 2, 3 and 4). In this implementation,
+#' the group is derived only from the Koc, if not given explicitly. For
+#' details, see the discussion of the function arguments below.
+#'
+#' @param rate The application rate in g/ha
+#' @param interception The fraction intercepted by the crop
+#' @param Koc The sorption coefficient to soil organic carbon used to determine the mobility. A trigger
+#' value of 550 L/kg is used in order to decide if Koc >> 500.
+#' @param mobility Overrides what is determined from the Koc.
+#' @param DT50 The soil half-life in days
+#' @param t_drainage The time between application and the drainage event, where degradation occurs, in days
+#' @param V_ditch The volume of the ditch is assumed to be 1 m * 100 m * 30 cm = 30 m3
+#' @param V_drainage The drainage volume, equivalent to 1 mm precipitation on 1 ha for spring/summer or 10 mm for
+#' autumn/winter/early spring.
+#' @param dilution The dilution factor
+#' @return A list containing the following components
+#' \describe{
+#' \item{perc_runoff}{The runoff percentages for dissolved and bound substance}
+#' \item{runoff}{A matrix containing dissolved and bound input for the different distances}
+#' \item{PEC_sw_runoff}{A matrix containing PEC values for dissolved and bound substance
+#' for the different distances. If the rate was given in g/ha, the PECsw are in microg/L.}
+#' }
+#' @export
+#' @source Excel 3.02 spreadsheet available from
+#' \url{https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3}
+#' @seealso \code{\link{perc_runoff_exposit}} for runoff loss percentages and \code{\link{perc_runoff_reduction_exposit}} for runoff reduction percentages used
+#' @examples
+#' PEC_sw_exposit_drainage(500, Koc = 150)
+PEC_sw_exposit_drainage <- function(rate, interception = 0, Koc = NA, mobility = c(NA, "low", "high"), DT50 = Inf, t_drainage = 3,
+ V_ditch = 30, V_drainage = c(spring = 10, autumn = 100), dilution = 2)
+{
+ # Rückstand zum Zeitpunkt des Niederschlagsereignisses (residue at the time of the drainage event)
+ k_deg <- log(2)/DT50
+ residue <- rate * (1 - interception) * 1 * exp(-k_deg * t_drainage) # assumes 1 ha treated area
+
+ mobility <- match.arg(mobility)
+ if (is.na(mobility)) {
+ if (is.na(Koc)) stop("Koc is needed if the mobility is not specified")
+ else {
+ if (Koc > 550) mobility = "low"
+ else mobility = "high"
+ }
+ }
+
+ V_ditch_drainage <- V_ditch + V_drainage
+ V_flowing_ditch_drainage <- dilution * V_ditch_drainage
+
+ # Gesamtaustrag (total fraction of the residue drained)
+ if (mobility == "low") {
+ f_drainage_total <- c(spring = 0.01 * 1e-2,
+ autumn = 0.05 * 1e-2)
+ } else {
+ f_drainage_total <- c(spring = 0.2 * 1e-2,
+ autumn = 1.0 * 1e-2)
+ }
+
+ f_peak = c(spring = 0.125, autumn = 0.25) # Stoßbelastung (fraction drained at event)
+
+ PEC_sw_drainage <- 1000 * residue * f_drainage_total * f_peak / V_flowing_ditch_drainage
+
+ result <- list(
+ perc_drainage_total = 100 * f_drainage_total,
+ perc_peak = 100 * f_peak,
+ PEC_sw_drainage = PEC_sw_drainage)
+ return(result)
+}

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