#' Calculate initial predicted environmental concentrations in surface water due to drainage using the UK method #' #' This implements the method specified in the UK data requirements handbook and was checked against the spreadsheet #' published on the CRC website. Degradation between the end (30 April) and the start (1 October) of #' the drainage period is taken into account if #' `latest_application` is specified and the degradation parameters are given either as a `soil_DT50` or a `model`. #' #' @param rate Application rate in g/ha or with a compatible unit specified #' with the units package #' @param interception The fraction of the application rate that does not reach the soil #' @param Koc The sorption coefficient normalised to organic carbon in L/kg or a unit specified #' with the units package #' @param latest_application Latest application date, formatted as e.g. "01 July" #' @param soil_DT50 Soil degradation half-life, if SFO kinetics are to be used, in #' days or a time unit specified with the units package #' @param model The soil degradation model to be used. Either one of "FOMC", #' "DFOP", "HS", or "IORE", or an mkinmod object #' @param model_parms A named numeric vector containing the model parameters #' @return The predicted concentration in surface water in µg/L #' @references HSE's Chemicals Regulation Division (CRD) Active substance #' PECsw calculations (for UK specific authorisation requests) #' \url{https://www.hse.gov.uk/pesticides/data-requirements-handbook/fate/pecsw-sed-via-drainflow.htm} #' accessed 2026-02-13 #' #' PECsw/sed spray drift and tier 1 drainflow calculator Version 2.1.1 (2025) Spreadsheet published at #' \url{https://www.hse.gov.uk/pesticides/assets/docs/PEC%20sw-sed%20(spraydrift).xlsx)} #' accessed 2026-02-13 #' @export #' @author Johannes Ranke #' @examples #' PEC_sw_drainage_UK(150, Koc = 100) #' PEC_sw_drainage_UK(60, interception = 0.5, Koc = 550, #' latest_application = "01 July", soil_DT50 = 200) PEC_sw_drainage_UK <- function(rate, interception = 0, Koc, latest_application = NULL, soil_DT50 = NULL, model = NULL, model_parms = NULL) { # Set default units if not specified and convert to units used in the calculations if (!inherits(rate, "units")) rate <- set_units(rate, "g/ha") rate_g_ha <- as.numeric(set_units(rate, "g/ha")) if (!inherits(Koc, "units")) Koc <- set_units(Koc, "L/kg") Koc_L_kg <- as.numeric(set_units(Koc, "L/kg")) if (!missing(soil_DT50)) { if (!inherits(soil_DT50, "units")) { soil_DT50_d <- soil_DT50 } soil_DT50_d <- as.numeric(set_units(soil_DT50, "d")) } percentage_lost <- SSLRC_mobility_classification(Koc_L_kg)[[2]] amount_available <- rate_g_ha * (1 - interception) # amount in g for 1 ha if (!missing(latest_application)) { lct <- Sys.getlocale("LC_TIME") tmp <- Sys.setlocale("LC_TIME", "C") if (latest_application == "29 February") { # Use a leap year ref_year <- 2000 } else { ref_year <- 1999} # Use a non-leap year latest <- as.Date(paste(latest_application, ref_year), "%d %b %Y") if (is.na(latest)) stop("Please specify the latest application in the format '%d %b', e.g. '01 July'") tmp <- Sys.setlocale("LC_TIME", lct) drainage_date <- drainage_date_UK(latest) degradation_time <- as.numeric(difftime(drainage_date, latest, units = "days")) if (degradation_time > 0) { if (!missing(soil_DT50)) { k = log(2)/soil_DT50_d amount_available <- amount_available * exp(-k * degradation_time) if (!missing(model)) stop("You already supplied a soil_DT50 value, implying SFO kinetics") } if (!missing(model)) { fraction_left <- pfm_degradation(model, parms = model_parms, times = degradation_time)[1, "parent"] amount_available <- fraction_left * amount_available } } } volume = 130000 # L/ha PEC = set_units(1e6 * (percentage_lost/100) * amount_available / volume, "\u00B5g/L") return(PEC) } #' @rdname PEC_sw_drainage_UK #' @param application_date Application date #' @export #' @examples #' drainage_date_UK("2023-07-10") #' drainage_date_UK("2020-12-01") #' drainage_date_UK(as.Date("2022-01-15")) drainage_date_UK <- function(application_date) { year <- substr(application_date, 1, 4) drainage_end <- as.Date(paste0(year, "-04-30")) drainage_start <- as.Date(paste0(year, "-10-01")) if (application_date <= drainage_end | application_date >= drainage_start) { drainage_date <- application_date } else { drainage_date <- drainage_start } return(drainage_date) }