mkin (version 0.9.49.5)

mccall81_245T: Datasets on aerobic soil metabolism of 2,4,5-T in six soils

Description

Time course of 2,4,5-trichlorophenoxyacetic acid, and the corresponding 2,4,5-trichlorophenol and 2,4,5-trichloroanisole as recovered in diethylether extracts.

Usage

mccall81_245T

Format

A dataframe containing the following variables.

name

the name of the compound observed. Note that T245 is used as an acronym for 2,4,5-T. T245 is a legitimate object name in R, which is necessary for specifying models using mkinmod.

time

a numeric vector containing sampling times in days after treatment

value

a numeric vector containing concentrations in percent of applied radioactivity

soil

a factor containing the name of the soil

Examples

# NOT RUN {
  SFO_SFO_SFO <- mkinmod(T245 = list(type = "SFO", to = "phenol"),
                         phenol = list(type = "SFO", to = "anisole"),
                         anisole = list(type = "SFO"))
  
# }
# NOT RUN {
    fit.1 <- mkinfit(SFO_SFO_SFO, subset(mccall81_245T, soil == "Commerce"), quiet = TRUE)
    summary(fit.1)$bpar
    endpoints(fit.1)
    # k_phenol_sink is really small, therefore fix it to zero
    fit.2 <- mkinfit(SFO_SFO_SFO, subset(mccall81_245T, soil == "Commerce"),
                   parms.ini = c(k_phenol_sink = 0),
                   fixed_parms = "k_phenol_sink", quiet = TRUE)
    summary(fit.2)$bpar
    endpoints(fit.1)
    plot_sep(fit.2)
  
# }