diff options
| -rw-r--r-- | pkg/NAMESPACE | 2 | ||||
| -rw-r--r-- | pkg/R/PEC_sw_drainage_UK.R | 53 | ||||
| -rw-r--r-- | pkg/R/SSLRC_mobility_classification.R | 42 | ||||
| -rw-r--r-- | pkg/man/PEC_sw_drainage_UK_ini.Rd | 30 | ||||
| -rw-r--r-- | pkg/man/SSLRC_mobility_classification.Rd | 26 | ||||
| -rw-r--r-- | pkg/tests/testthat/test_UK_drainage.R | 33 |
6 files changed, 186 insertions, 0 deletions
diff --git a/pkg/NAMESPACE b/pkg/NAMESPACE index 2d95da4..771739a 100644 --- a/pkg/NAMESPACE +++ b/pkg/NAMESPACE @@ -2,9 +2,11 @@ S3method(plot,TOXSWA_cwa) export(PEC_soil) +export(PEC_sw_drainage_UK_ini) export(PEC_sw_drift) export(PEC_sw_drift_ini) export(SFO_actual_twa) +export(SSLRC_mobility_classification) export(TOXSWA_cwa) export(geomean) export(pfm_degradation) diff --git a/pkg/R/PEC_sw_drainage_UK.R b/pkg/R/PEC_sw_drainage_UK.R new file mode 100644 index 0000000..03c56c0 --- /dev/null +++ b/pkg/R/PEC_sw_drainage_UK.R @@ -0,0 +1,53 @@ +# Copyright (C) 2015 Johannes Ranke +# Contact: jranke@uni-bremen.de +# This file is part of the R package pfm + +# This program is free software: you can redistribute it and/or modify it under +# the terms of the GNU General Public License as published by the Free Software +# Foundation, either version 3 of the License, or (at your option) any later +# version. + +# This program is distributed in the hope that it will be useful, but WITHOUT +# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more +# details. + +# You should have received a copy of the GNU General Public License along with +# this program. If not, see <http://www.gnu.org/licenses/> + +#' 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 +#' +#' @param rate Application rate in g/ha +#' @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 +#' @return The predicted concentration in surface water in µg/L +#' @export +#' @author Johannes Ranke +#' @examples +#' PEC_sw_drainage_UK_ini(100) +PEC_sw_drainage_UK_ini <- function(rate, interception = 0, Koc, + latest_application = NULL, soil_DT50 = NULL) +{ + percentage_lost <- SSLRC_mobility_classification(Koc)[[2]] + amount_available <- rate * (1 - interception) # g/ha + + if (!missing(latest_application)) { + if (missing(soil_DT50)) stop("You need to supply a soil DT50 value") + k = log(2)/soil_DT50 + as.Date(paste(latest_application, "1999"), "%d %B %Y") + + lct <- Sys.getlocale("LC_TIME") + tmp <- Sys.setlocale("LC_TIME", "C") + latest <- as.Date(paste(latest_application, "1999"), "%d %b %Y") + tmp <- Sys.setlocale("LC_TIME", lct) + degradation_time <- as.numeric(difftime(as.Date("1999-10-01"), units = "days", latest)) + amount_available <- amount_available * exp(-k * degradation_time) + } + + volume = 130000 # L/ha + PEC = 1e6 * (percentage_lost/100) * amount_available / volume + return(PEC) +} diff --git a/pkg/R/SSLRC_mobility_classification.R b/pkg/R/SSLRC_mobility_classification.R new file mode 100644 index 0000000..e04d472 --- /dev/null +++ b/pkg/R/SSLRC_mobility_classification.R @@ -0,0 +1,42 @@ +# Copyright (C) 2015 Johannes Ranke +# Contact: jranke@uni-bremen.de +# This file is part of the R package pfm + +# This program is free software: you can redistribute it and/or modify it under +# the terms of the GNU General Public License as published by the Free Software +# Foundation, either version 3 of the License, or (at your option) any later +# version. + +# This program is distributed in the hope that it will be useful, but WITHOUT +# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more +# details. + +# You should have received a copy of the GNU General Public License along with +# this program. If not, see <http://www.gnu.org/licenses/> + +#' Determine the SSLRC mobility classification for a chemical substance from its Koc +#' +#' This implements the method specified in the UK data requirements handbook and was +#' checked against the spreadsheet published on the CRC website +#' +#' @param Koc The sorption coefficient normalised to organic carbon in L/kg +#' @return A list containing the classification and the percentage of the +#' compound transported per 10 mm drain water +#' @export +#' @author Johannes Ranke +#' @examples +#' SSLRC_mobility_classification(Koc) +SSLRC_mobility_classification <- function(Koc) +{ + if (!is.numeric(Koc) | length(Koc) != 1) stop("Please give a single number") + result <- list("Non mobile", 0.01) + if (Koc < 4000) result <- list("Slightly mobile", 0.02) + if (Koc < 1000) result <- list("Slightly mobile", 0.5) + if (Koc < 500) result <- list("Moderately mobile", 0.7) + if (Koc < 75) result <- list("Mobile", 1.9) + if (Koc < 15) result <- list("Very mobile", 1.9) + names(result) <- c("Mobility classification", + "Percentage drained per mm of drain water") + return(result) +} diff --git a/pkg/man/PEC_sw_drainage_UK_ini.Rd b/pkg/man/PEC_sw_drainage_UK_ini.Rd new file mode 100644 index 0000000..c39a5c9 --- /dev/null +++ b/pkg/man/PEC_sw_drainage_UK_ini.Rd @@ -0,0 +1,30 @@ +% Generated by roxygen2 (4.1.0.9001): do not edit by hand +% Please edit documentation in R/PEC_sw_drainage_UK.R +\name{PEC_sw_drainage_UK_ini} +\alias{PEC_sw_drainage_UK_ini} +\title{Calculate initial predicted environmental concentrations in surface water due to drainage using the UK method} +\usage{ +PEC_sw_drainage_UK_ini(rate, interception = 0, Koc, + latest_application = NULL, soil_DT50 = NULL) +} +\arguments{ +\item{rate}{Application rate in g/ha} + +\item{interception}{The fraction of the application rate that does not reach the soil} + +\item{Koc}{The sorption coefficient normalised to organic carbon in L/kg} +} +\value{ +The predicted concentration in surface water in µg/L +} +\description{ +This implements the method specified in the UK data requirements handbook and was checked against the spreadsheet +published on the CRC website +} +\examples{ +PEC_sw_drainage_UK_ini(100) +} +\author{ +Johannes Ranke +} + diff --git a/pkg/man/SSLRC_mobility_classification.Rd b/pkg/man/SSLRC_mobility_classification.Rd new file mode 100644 index 0000000..a1bb413 --- /dev/null +++ b/pkg/man/SSLRC_mobility_classification.Rd @@ -0,0 +1,26 @@ +% Generated by roxygen2 (4.1.0.9001): do not edit by hand +% Please edit documentation in R/SSLRC_mobility_classification.R +\name{SSLRC_mobility_classification} +\alias{SSLRC_mobility_classification} +\title{Determine the SSLRC mobility classification for a chemical substance from its Koc} +\usage{ +SSLRC_mobility_classification(Koc) +} +\arguments{ +\item{Koc}{The sorption coefficient normalised to organic carbon in L/kg} +} +\value{ +A list containing the classification and the percentage of the + compound transported per 10 mm drain water +} +\description{ +This implements the method specified in the UK data requirements handbook and was +checked against the spreadsheet published on the CRC website +} +\examples{ +SSLRC_mobility_classification(Koc) +} +\author{ +Johannes Ranke +} + diff --git a/pkg/tests/testthat/test_UK_drainage.R b/pkg/tests/testthat/test_UK_drainage.R new file mode 100644 index 0000000..3a57db8 --- /dev/null +++ b/pkg/tests/testthat/test_UK_drainage.R @@ -0,0 +1,33 @@ +library(pfm) +context("UK drainage PEC calculations") + +test_that("The mobility classification and the drained percentage are correct", { + # Expected results are from the CRD drainage calculator, retrieved 2015-06-11 + + expect_equivalent(SSLRC_mobility_classification(1), list("Very mobile", 1.9)) + expect_equivalent(SSLRC_mobility_classification(15), list("Mobile", 1.9)) + expect_equivalent(SSLRC_mobility_classification(30), list("Mobile", 1.9)) + expect_equivalent(SSLRC_mobility_classification(74.9), list("Mobile", 1.9)) + expect_equivalent(SSLRC_mobility_classification(75), list("Moderately mobile", 0.7)) + expect_equivalent(SSLRC_mobility_classification(100), list("Moderately mobile", 0.7)) + expect_equivalent(SSLRC_mobility_classification(800), list("Slightly mobile", 0.5)) + expect_equivalent(SSLRC_mobility_classification(2000), list("Slightly mobile", 0.02)) + expect_equivalent(SSLRC_mobility_classification(5000), list("Non mobile", 0.01)) +}) + +test_that("UK drainflow PECs are correct", { + # Expected results are from the CRD drainage calculator, retrieved 2015-06-11, except + # for the third example from the data requirements handbook + + # This is the first example calculation from the data requirements handbook, where they give + # 8.07 µg/L as the result (obviously a rounding error). + expect_equal(round(PEC_sw_drainage_UK_ini(150, interception = 0, Koc = 100), 4), 8.0769) + + # This is the second example calculation from the data requirements handbook + expect_equal(round(PEC_sw_drainage_UK_ini(90, interception = 0, Koc = 10), 4), 13.1538) + + # This is the third example calculation from the data requirements handbook, + expect_equal(round(PEC_sw_drainage_UK_ini(60, interception = 0.5, Koc = 550, + latest_application = "01 July", + soil_DT50 = 200), 2), 0.84) +}) |