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CHNOSZ (version 0.9-6)

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.

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Install

install.packages('CHNOSZ')

Monthly Downloads

1,653

Version

0.9-6

License

GPL (>= 2)

Maintainer

Last Published

August 18th, 2011

Functions in CHNOSZ (0.9-6)