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.
mccall81_245TA dataframe containing the following variables.
namethe 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.
timea numeric vector containing sampling times in days after treatment
valuea numeric vector containing concentrations in percent of applied radioactivity
soila factor containing the name of the soil
SFO_SFO_SFO <- mkinmod(T245 = list(type = "SFO", to = "phenol"),
phenol = list(type = "SFO", to = "anisole"),
anisole = list(type = "SFO"))
if (FALSE) {
fit.1 <- mkinfit(SFO_SFO_SFO, subset(mccall81_245T, soil == "Commerce"), quiet = TRUE)
summary(fit.1)$bpar
endpoints(fit.1)
# formation fraction from phenol to anisol is practically 1. As we cannot
# fix formation fractions when using the ilr transformation, we can turn of
# the sink in the model generation
SFO_SFO_SFO_2 <- mkinmod(T245 = list(type = "SFO", to = "phenol"),
phenol = list(type = "SFO", to = "anisole", sink = FALSE),
anisole = list(type = "SFO"))
fit.2 <- mkinfit(SFO_SFO_SFO_2, subset(mccall81_245T, soil == "Commerce"),
quiet = TRUE)
summary(fit.2)$bpar
endpoints(fit.1)
plot_sep(fit.2)
}
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