CHNOSZ

Chemical Thermodynamics and Activity Diagrams

What is it?

An example

After Helgeson, 1970.

Quick Start

Download R from the Comprehensive R Archive Network (CRAN). Start up R, then use these commands to install and load the package and run the examples from the documentation.

install.packages("CHNOSZ")
library(CHNOSZ)
data(thermo)
examples()

Download and Documentation

download Download CHNOSZ, and get other files:
faq Frequently asked questions
pdf PDF version of manual
news Changelog
refs Table of references for thermodynamic data
html Manual as HTML
examples Output from examples (including figures)
vignettes Package vignettes (detailed examples)

Updates

CHNOSZ is on R-Forge. Updates to the package will be made there before being posted to this website or to CRAN. Get the latest development version using:

install.packages("CHNOSZ", repos="http://R-Forge.R-project.org")

Other Stuff

anim Animations of equilibrium activity diagrams
Rpad Interface to CHNOSZ using the Rpad web-based analysis program
transfer Reaction path calculations in CHNOSZ

About

CHNOSZ is free software licensed under the GPL.

The author of this package is Jeffrey M. Dick. Please contact me at <jmdick@asu.edu>.

Work on this project through 2008 was supported by research grants from the U.S. National Science Foundation and Department of Energy. In 2009-2011, this material is based upon work supported by the National Science Foundation under Grant No. EAR-0847616.

Updates will be posted as progress allows. The thermodynamic database represents the work of many different authors; don't forget to cite them appropriately in publications using this data! For a list of references, use the browse.refs() function in the package, or access the table of references here.


Updated 2013-04-13 by Jeffrey M. Dick