R Development Page
Contributed R Packages
Below is a list of all packages provided by project CHNOSZ.
Important note for package binaries: R-Forge provides these binaries only for the most recent version of R, but not for older versions. In order to successfully install the packages provided on R-Forge, you have to switch to the most recent version of R or, alternatively, install from the package sources (.tar.gz).
Chemical Thermodynamics and Activity Diagrams
|An integrated set of tools for thermodynamic calculations in compositional biology and geochemistry. 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.|
|Version: 1.1.0-3 | Last change: 2017-06-06 16:35:05+02 | Rev.: 204|
|Download: (.tar.gz) | (.zip) | Build status: Current | Stable Release: Get CHNOSZ 1.1.0 from CRAN|
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