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.