Chemical Thermodynamics and Activity Diagrams
Description
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.