CHNOSZ: Chemical Thermodynamics and Activity Diagrams

This package includes functions and data sets to support chemical thermodynamic modeling in biochemistry and low-temperature geochemistry. The features include calculation of the standard molal thermodynamic properties and chemical affinities of reactions involving minerals and/or biomolecules; a database of thermodynamic properties of aqueous, crystalline and gaseous species; amino acid group additivity for the standard molal thermodynamic properties of neutral and ionized proteins; use of the revised Helgeson-Kirkham-Flowers equations of state for aqueous species; construction of equilibrium activity diagrams as a function of temperature, pressure, and chemical activities or fugacities of basis species.

Version: 1.0.3.1
Depends: R (≥ 2.12.0)
Suggests: limSolve, parallel, testthat
Published: 2014-02-12
Author: Jeffrey Dick
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
Equilibrium in CHNOSZ
Hot-spring chemistry and model proteins from a metagenome
Winding journey down (in Gibbs energy)
Package source: CHNOSZ_1.0.3.1.tar.gz
Windows binaries: r-devel: CHNOSZ_1.0.3.1.zip, r-release: CHNOSZ_1.0.3.1.zip, r-oldrel: CHNOSZ_1.0.3.1.zip
OS X Snow Leopard binaries: r-release: CHNOSZ_1.0.3.1.tgz, r-oldrel: CHNOSZ_1.0.3.1.tgz
OS X Mavericks binaries: r-release: CHNOSZ_1.0.3.1.tgz
Old sources: CHNOSZ archive