PEC_sw_focus: Calculate PEC surface water at FOCUS Step 1

In jranke/pfm: Utilities for Pesticide Fate Modelling

Calculate PEC surface water at FOCUS Step 1

Description

This is a reimplementation of the FOCUS Step 1 and 2 calculator version 3.2, authored by Michael Klein, in R. Note that results for multiple applications should be compared to the corresponding results for a single application. At current, this is not done automatically in this implementation. Only Step 1 PECs are calculated. However, input files can be generated that are suitable as input for the FOCUS calculator.

Usage

PEC_sw_focus(
  parent,
  rate,
  n = 1,
  i = NA,
  comment = "",
  met = NULL,
  f_drift = NA,
  f_rd = 0.1,
  scenario = FOCUS_Step_12_scenarios$names,
  region = c("n", "s"),
  season = c(NA, "of", "mm", "js"),
  interception = c("no interception", "minimal crop cover", "average crop cover",
    "full canopy"),
  met_form_water = TRUE,
  txt_file = "pesticide.txt",
  overwrite = FALSE,
  append = FALSE
)

Arguments

parent	A list containing substance specific parameters, e.g. conveniently generated by chent_focus_sw.
rate	The application rate in g/ha. Overriden when applications are given explicitly
n	The number of applications
i	The application interval
comment	A comment for the input file
met	A list containing metabolite specific parameters. e.g. conveniently generated by chent_focus_sw. If not NULL, the PEC is calculated for this compound, not the parent.
f_drift	The fraction of the application rate reaching the waterbody via drift. If NA, this is derived from the scenario name and the number of applications via the drift data defined by the FOCUS_Step_12_scenarios
f_rd	The fraction of the amount applied reaching the waterbody via runoff/drainage. At Step 1, it is assumed to be 10%, be it the parent or a metabolite
scenario	The name of the scenario. Must be one of the scenario names given in FOCUS_Step_12_scenarios
region	'n' for Northern Europe or 's' for Southern Europe. If NA, only Step 1 PECsw are calculated
season	'of' for October to February, 'mm' for March to May, and 'js' for June to September. If NA, only step 1 PECsw are calculated
interception	One of 'no interception' (default), 'minimal crop cover', 'average crop cover' or 'full canopy'
met_form_water	Should the metabolite formation in water be taken into account? This can be switched off to check the influence and to compare with previous versions of the Steps 12 calculator
txt_file	the name, and potentially the full path to the Steps.12 input text file to which the specification of the run(s) should be written
overwrite	Should an existing file a the location specified in txt_file be overwritten? Only takes effect if append is FALSE.
append	Should the input text file be appended, if it exists?

Note

The formulas for input to the waterbody via runoff/drainage of the parent and subsequent formation of the metabolite in water is not documented in the model description coming with the calculator. As one would expect, this appears to be (as we get the same results) calculated by multiplying the application rate with the molar weight correction and the formation fraction in water/sediment systems.

Step 2 is not implemented.

References

FOCUS (2014) Generic guidance for Surface Water Scenarios (version 1.4). FOrum for the Co-ordination of pesticde fate models and their USe. http://esdac.jrc.ec.europa.eu/public_path/projects_data/focus/sw/docs/Generic%20FOCUS_SWS_vc1.4.pdf

Website of the Steps 1 and 2 calculator at the Joint Research Center of the European Union: http://esdac.jrc.ec.europa.eu/projects/stepsonetwo

Examples

# Parent only
dummy_1 <- chent_focus_sw("Dummy 1", cwsat = 6000, DT50_ws = 6, Koc = 344.8)
PEC_sw_focus(dummy_1, 3000, f_drift = 0)

# Metabolite
new_dummy <- chent_focus_sw("New Dummy", mw = 250, Koc = 100)
M1 <- chent_focus_sw("M1", mw = 100, cwsat = 100, DT50_ws = 100, Koc = 50,
  max_ws = 0, max_soil = 0.5)
PEC_sw_focus(new_dummy, 1000, scenario = "cereals, winter", met = M1)

jranke/pfm documentation built on Dec. 17, 2024, 12:01 p.m.