phreeqc (version 3.8.6)

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.

Author

S.R. Charlton, D.L. Parkhurst, and C.A.J. Appelo, with contributions from D. Gillespie for Chipmunk BASIC (p2c) and S.D. Cohen, A.C. Hindmarsh, R. Serban, D. Shumaker, and A.G. Taylor for CVODE (SUNDIALS)
Maintainer: S.R. Charlton

Details

Package:	phreeqc
Type:	Package
Version:	3.8.6
Date:	2025-01-07
License:	BSD_3_clause + file LICENSE

References

https://water.usgs.gov/water-resources/software/PHREEQC/IPhreeqc.pdf
https://computing.llnl.gov/projects/sundials

See Also

Useful links:

• https://www.usgs.gov/software/phreeqc-version-3

• Report bugs at https://github.com/usgs-coupled/iphreeqc/issues

Examples

#########################################################################
# 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 celsius"
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))