CHNOSZ (1.0.8)

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Chemical Thermodynamics and Activity Diagrams.

http://www.chnosz.net/
http://chnosz.r-forge.r-project.org/
http://cran.r-project.org/web/packages/CHNOSZ

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.

Maintainer: Jeffrey Dick
Author(s): Jeffrey Dick

License: GPL (>= 2)

Uses: limSolve, testthat, knitr
Reverse depends: RbioRXN

Released 10 months ago.


17 previous versions

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