CHNOSZ: Thermodynamic Calculations for Geobiochemistry
Version 1.1.0-49

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. Functions are provided to define a system using basis species, automatically balance reactions, calculate the chemical affinities of reactions for selected species, and plot the results on potential diagrams or equilibrium activity diagrams. Experimental features are available to calculate activity coefficients for aqueous species or for multidimensional optimization of thermodynamic variables using an objective function.

Package details

AuthorJeffrey Dick
Date of publication2017-10-10 15:22:41
MaintainerJeffrey Dick <[email protected]>
LicenseGPL (>= 2)
Version1.1.0-49
URL http://www.chnosz.net/ http://chnosz.r-forge.r-project.org/
Package repositoryView on R-Forge
Installation Install the latest version of this package by entering the following in R:
install.packages("CHNOSZ", repos="http://R-Forge.R-project.org")

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CHNOSZ documentation built on Oct. 11, 2017, 3:01 a.m.