swMATH ID: 15144
Software Authors: Jeffrey Dick
Description: CHNOSZ: Chemical Thermodynamics and Activity Diagrams. 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.
Homepage: https://cran.r-project.org/web/packages/CHNOSZ/index.html
Dependencies: R
Referenced in: 0 Publications