An integrated set of tools for thermodynamic calculations in geochemistry and compositional biology. Thermodynamic properties are taken from a database for minerals and inorganic and organic aqueous species including biomolecules, or from amino acid group additivity for proteins. High-temperature properties are calculated using the revised Helgeson-Kirkham-Flowers equations of state for aqueous species, and activity coefficients can be calculated for specified ionic strength. Functions are provided to define a system using basis species, automatically balance reactions, calculate the chemical affinities of formation reactions for selected species, calculate equilibrium activities, and plot the results on chemical activity diagrams.
|Author||Jeffrey Dick [aut, cre] (0000-0002-0687-5890), R Core Team [ctb] (code derived from R's pmax())|
|Date of publication||2017-11-13 00:06:59 UTC|
|Maintainer||Jeffrey Dick <[email protected]>|
|License||GPL (>= 2)|
|Package repository||View on CRAN|
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