phreeqc (version 3.6.3)

phreeqc-package: R interface to the PHREEQC geochemical modeling program.

Description

An interface to PHREEQC (Version 3). PHREEQC is a geochemical modeling program developed by the US Geological Survey that is designed to perform a wide variety of aqueous geochemical calculations, including speciation, batch-reaction, one-dimensional reactive-transport, and inverse geochemical calculations.

Details

Package:	phreeqc
Type:	Package
Version:	3.6.3
Date:	2020-05-11
License:	BSD_3_clause + file LICENSE

References

ftp://brrftp.cr.usgs.gov/pub/charlton/iphreeqc/IPhreeqc.pdf http://computation.llnl.gov/casc/sundials/main.html

Examples

# NOT RUN {
#########################################################################
# Run ex2 and plot results
#########################################################################

# load the phreeqc.dat database
phrLoadDatabaseString(phreeqc.dat)

# run example 2
phrRunString(ex2)

# retrieve selected_output as a list of data.frame
so <- phrGetSelectedOutput()

# plot the results
attach(so$n1)
title  <- "Gypsum-Anhydrite Stability"
xlabel <- "Temperature, in degrees celcius"
ylabel <- "Saturation index"
plot(temp.C., si_gypsum, main = title, xlab = xlabel, ylab = ylabel,
     col = "darkred", xlim = c(25, 75), ylim = c(-0.4, 0.0))
points(temp.C., si_anhydrite, col = "darkgreen")
legend("bottomright", c("Gypsum", "Anhydrite"),
       col = c("darkred", "darkgreen"), pch = c(1, 1))
# }