All Tools Bookmark

Share

http://online-toolz.com/tools/r-package-details.php?p=CHNOSZ

Facebook Share Twitter Share

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.

CHNOSZ.pdf