CHNOSZ (0.9-2)

Chemical Thermodynamics and Activity Diagrams.

http://www.chnosz.net/
http://cran.r-project.org/web/packages/CHNOSZ

Calculation of the standard molal thermodynamic properties and chemical affinities of reactions between and among minerals, inorganic, organic, and/or biomolecular aqueous and crystalline species. Incorporation of an extensive database of thermodynamic properties of species and algorithms for computing the standard thermodynamic properties of neutral and ionized proteins from amino acid group contributions. Generation of chemical speciation and predominance diagrams for stable and metastable equilibrium in open systems as a function of temperature, pressure, and chemical activities or fugacities of basis species.

Maintainer: Jeffrey M. Dick
Author(s): Jeffrey M. Dick <jmdick@asu.edu>

License: GPL (>= 2)

Uses: Does not use any package
Reverse depends: LipidMS, RbioRXN

Released almost 9 years ago.