CHNOSZ: Thermodynamic Calculations for Geobiochemistry

An integrated set of tools for thermodynamic calculations in geochemistry and compositional biology. Thermodynamic properties are taken from a database for minerals and inorganic and organic aqueous species including biomolecules, or from amino acid group additivity for proteins. High-temperature properties are calculated using the revised Helgeson-Kirkham-Flowers equations of state for aqueous species, and activity coefficients can be calculated for specified ionic strength. Functions are provided to define a system using basis species, automatically balance reactions, calculate the chemical affinities of formation reactions for selected species, calculate equilibrium activities, and plot the results on chemical activity diagrams.

Version: 1.1.3
Depends: R (≥ 3.1.0)
Imports: grDevices, graphics, stats, utils
Suggests: limSolve, testthat, knitr, rmarkdown, tufte, RSVGTipsDevice
Published: 2017-11-13
Author: Jeffrey Dick ORCID iD [aut, cre], R Core Team [ctb] (code derived from R's pmax())
Maintainer: Jeffrey Dick <j3ffdick at gmail.com>
License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
URL: http://www.chnosz.net/, http://chnosz.r-forge.r-project.org/
NeedsCompilation: yes
Citation: CHNOSZ citation info
Materials: NEWS
In views: ChemPhys
CRAN checks: CHNOSZ results

Downloads:

Reference manual: CHNOSZ.pdf
Vignettes: An Introduction to CHNOSZ
Regressing thermodynamic data
Thermodynamic data in CHNOSZ
Equilibrium in CHNOSZ
Hot-spring proteins in CHNOSZ
Winding journey down (in Gibbs energy)
Package source: CHNOSZ_1.1.3.tar.gz
Windows binaries: r-devel: CHNOSZ_1.1.3.zip, r-release: CHNOSZ_1.1.3.zip, r-oldrel: CHNOSZ_1.1.3.zip
OS X binaries: r-release: CHNOSZ_1.1.3.tgz, r-oldrel: CHNOSZ_1.1.3.tgz
Old sources: CHNOSZ archive

Reverse dependencies:

Reverse imports: canprot, ecipex, iemisc

Linking:

Please use the canonical form https://CRAN.R-project.org/package=CHNOSZ to link to this page.