CHNOSZ (1.1.3)

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Thermodynamic Calculations for Geobiochemistry.

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.

Maintainer: Jeffrey Dick
Author(s): Jeffrey Dick [aut, cre] (0000-0002-0687-5890), R Core Team [ctb] (code derived from R's pmax())

License: GPL (>= 2)

Uses: RSVGTipsDevice, limSolve, testthat, knitr, rmarkdown, tufte
Reverse depends: RbioRXN

Released 4 months ago.

19 previous versions



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