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CHNOSZ (version 0.9-2)
Chemical Thermodynamics and Activity Diagrams
Description
Calculation of the standard molal thermodynamic properties
and chemical affinities of reactions between and among
minerals, inorganic, organic, and/or biomolecular aqueous and
crystalline species. Incorporation of an extensive database of
thermodynamic properties of species and algorithms for
computing the standard thermodynamic properties of neutral and
ionized proteins from amino acid group contributions.
Generation of chemical speciation and predominance diagrams for
stable and metastable equilibrium in open systems as a function
of temperature, pressure, and chemical activities or fugacities
of basis species.