phreeqc-package {phreeqc} | R Documentation

## 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: | 3.4.10
Date: | 2019-01-29
License: | BSD_3_clause + file LICENSE

### Author(s)

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 charlton@usgs.gov

### References

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

### 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 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))

[Package phreeqc version 3.4.10 Index]