CHNOSZ (0.9-4)

Chemical Thermodynamics and Activity Diagrams.

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

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.

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 over 8 years ago.