#' Runoff loss percentages as used in Exposit 3 #' #' A table of the loss percentages used in Exposit 3 for the twelve different Koc classes #' #' @name perc_runoff_exposit #' @format A data frame with percentage values for the dissolved fraction and the fraction #' bound to eroding particles, with Koc classes used as row names #' \describe{ #' \item{Koc_lower_bound}{The lower bound of the Koc class} #' \item{dissolved}{The percentage of the applied substance transferred to an #' adjacent water body in the dissolved phase} #' \item{bound}{The percentage of the applied substance transferred to an #' adjacent water body bound to eroding particles} #' } #' @source Excel 3.02 spreadsheet available from #' \url{https://www.bvl.bund.de/SharedDocs/Downloads/04_Pflanzenschutzmittel/zul_umwelt_exposit.html} #' @docType data #' @examples #' print(perc_runoff_exposit) "perc_runoff_exposit" #' Runoff reduction percentages as used in Exposit #' #' A table of the runoff reduction percentages used in Exposit 3 for different vegetated buffer widths #' #' @name perc_runoff_reduction_exposit #' @format A named list of data frames with reduction percentage values for the #' dissolved fraction and the fraction bound to eroding particles, with #' vegetated buffer widths as row names. The names of the list items are the Exposit versions #' from which the values were taken. #' \describe{ #' \item{dissolved}{The reduction percentage for the dissolved phase} #' \item{bound}{The reduction percentage for the particulate phase} #' } #' @source Excel 3.02 spreadsheet available from #' \url{https://www.bvl.bund.de/SharedDocs/Downloads/04_Pflanzenschutzmittel/zul_umwelt_exposit.html} #' #' Agroscope version 3.01a with additional runoff factors for 3 m and 6 m buffer zones received from Muris Korkaric (not published). #' The variant 3.01a2 was introduced for consistency with previous calculations performed by Agroscope for a 3 m buffer zone. #' @docType data #' @examples #' print(perc_runoff_reduction_exposit) "perc_runoff_reduction_exposit" #' Calculate PEC surface water due to runoff and erosion as in Exposit 3 #' #' This is a reimplementation of the calculation described in the Exposit 3.02 spreadsheet file, #' in the worksheet "Konzept Runoff". #' #' It is recommened to specify the arguments `rate`, `Koc`, `DT50`, `t_runoff`, `V_ditch` and `V_event` #' using [units::units] from the `units` package. #' #' @importFrom units as_units set_units drop_units #' @importFrom dplyr across mutate #' @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. "3.02" is the current #' version used in Germany, "3.01a" is the version with additional percentages for 3 m and 6 m buffer #' zones used in Switzerland. "3.01a2" is a version introduced for consistency with previous calculations #' performed for a 3 m buffer zone in Switzerland, with the same reduction being applied to the dissolved #' and the bound fraction. #' @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} #' \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/SharedDocs/Downloads/04_Pflanzenschutzmittel/zul_umwelt_exposit.html} #' @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, Koc = 150) #' PEC_sw_exposit_runoff(600, Koc = 10000, DT50 = 195, exposit = "3.01a") PEC_sw_exposit_runoff <- function(rate, interception = 0, Koc, DT50 = set_units(Inf, "d"), t_runoff = set_units(3, "days"), exposit_reduction_version = c("3.02", "3.01a", "3.01a2", "2.0"), V_ditch = set_units(30, "m3"), V_event = set_units(100, "m3"), dilution = 2) { # Set default units if not specified if (!inherits(rate, "units")) rate <- set_units(rate, "g/ha") if (!inherits(Koc, "units")) Koc <- set_units(Koc, "L/kg") if (!inherits(DT50, "units")) DT50 <- set_units(DT50, "d") if (!inherits(t_runoff, "units")) t_runoff <- set_units(t_runoff, "d") if (!inherits(V_ditch, "units")) V_ditch <- set_units(V_ditch, "m3") if (!inherits(V_event, "units")) V_event <- set_units(V_event, "m3") k_deg <- log(2)/DT50 # The input is calculated for an area of 1 ha input <- rate * as_units(1, "ha") * (1 - interception) * exp(as.numeric(-k_deg * t_runoff)) input_units <- units(input) input_numeric <- drop_units(input) if (length(Koc) > 1) stop("Only one compound at a time supported") exposit_reduction_version <- match.arg(exposit_reduction_version) reduction_runoff <- pfm::perc_runoff_reduction_exposit[[exposit_reduction_version]] / 100 transfer_runoff <- 1 - reduction_runoff V_runoff <- V_event * (1 - reduction_runoff[["dissolved"]]) V_flowing_ditch_runoff <- dilution * (V_ditch + V_runoff) f_runoff_exposit <- function(Koc) { Koc_breaks <- c(pfm::perc_runoff_exposit$Koc_lower_bound, set_units(Inf, "L/kg")) Koc_classes <- as.character(cut(Koc, Koc_breaks, labels = rownames(pfm::perc_runoff_exposit))) perc_runoff <- pfm::perc_runoff_exposit[Koc_classes, c("dissolved", "bound")] if (identical(Koc, 0)) perc_runoff <- c(dissolved = 0, bound = 0) return(unlist(perc_runoff) / 100) } f_runoff <- f_runoff_exposit(Koc) runoff_dissolved <- input_numeric * f_runoff["dissolved"] * transfer_runoff[, "dissolved"] runoff_bound <- input_numeric * f_runoff["bound"] * transfer_runoff[, "bound"] runoff_input <- cbind(dissolved = runoff_dissolved, bound = runoff_bound, total = runoff_dissolved + runoff_bound) rownames(runoff_input) <- rownames(reduction_runoff) units(runoff_input) <- input_units dn <- dimnames(runoff_input) PEC_sw_runoff <- set_units(runoff_input / V_flowing_ditch_runoff, "\u00B5g/L") dimnames(PEC_sw_runoff) <- dn result <- list( perc_runoff = 100 * f_runoff, runoff = as.data.frame(runoff_input), PEC_sw_runoff = as.data.frame(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. #' It is recommened to specify the arguments `rate`, `Koc`, `DT50`, `t_drainage`, #' `V_ditch` and `V_drainage` using [units::units] from the `units` package. #' #' @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_drainage_total}{Gesamtaustrag (total fraction of the residue drained)} #' \item{perc_peak}{Stoßbelastung (fraction drained at event)} #' \item{PEC_sw_drainage}{A matrix containing PEC values for the spring and autumn #' scenarios. 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/SharedDocs/Downloads/04_Pflanzenschutzmittel/zul_umwelt_exposit.html} #' @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 = set_units(Inf, "d"), t_drainage = set_units(3, "days"), V_ditch = set_units(30, "m3"), V_drainage = set_units(c(spring = 10, autumn = 100), "m3"), dilution = 2) { # Set default units if not specified if (!inherits(rate, "units")) rate <- set_units(rate, "g/ha") if (!inherits(Koc, "units")) Koc <- set_units(Koc, "L/kg") if (!inherits(DT50, "units")) DT50 <- set_units(DT50, "d") if (!inherits(t_drainage, "units")) t_runoff <- set_units(t_drainage, "d") if (!inherits(V_ditch, "units")) V_ditch <- set_units(V_ditch, "m3") if (!inherits(V_drainage, "units")) V_event <- set_units(V_drainage, "m3") k_deg <- log(2)/DT50 # Total residue at the time of the drainage event, assumes 1 ha treated area residue <- rate * as_units(1, "ha") * (1 - interception) * exp(as.numeric(-k_deg * t_drainage)) 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 > set_units(550, "L/kg")) 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 <- 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 = set_units(PEC_sw_drainage, "\u00B5g/L")) return(result) }