Package: CHNOSZ
Title: Chemical Thermodynamics and Activity Diagrams
Version: 0.9-1
Date: 2010-07-20
Author: Jeffrey M. Dick <jmdick@asu.edu>
Maintainer: Jeffrey M. Dick <jmdick@asu.edu>
Depends: R (>= 2.7.0), utils
Description: Calculation of the standard molal thermodynamic properties
and chemical affinities of reactions between and among
minerals, inorganic, organic, and/or biomolecular aqueous and
crystalline species. Incorporation of an extensive database of
thermodynamic properties of species and algorithms for
computing the standard thermodynamic properties of neutral and
ionized proteins from amino acid group contributions.
Generation of chemical speciation and predominance diagrams for
stable and metastable equilibrium in open systems as a function
of temperature, pressure, and chemical activities or fugacities
of basis species.
License: GPL (>= 2)
ZipData: no
URL: http://www.chnosz.net/
Packaged: 2010-07-20 20:56:41 UTC; jedick
Repository: CRAN
Date/Publication: 2010-07-24 19:40:42

Package: CHNOSZ
Title: Chemical Thermodynamics and Activity Diagrams
Version: 0.9-2
Date: 2010-08-25
Author: Jeffrey M. Dick <jmdick@asu.edu>
Maintainer: Jeffrey M. Dick <jmdick@asu.edu>
Depends: R (>= 2.7.0), utils
Description: Calculation of the standard molal thermodynamic properties
and chemical affinities of reactions between and among
minerals, inorganic, organic, and/or biomolecular aqueous and
crystalline species. Incorporation of an extensive database of
thermodynamic properties of species and algorithms for
computing the standard thermodynamic properties of neutral and
ionized proteins from amino acid group contributions.
Generation of chemical speciation and predominance diagrams for
stable and metastable equilibrium in open systems as a function
of temperature, pressure, and chemical activities or fugacities
of basis species.
License: GPL (>= 2)
ZipData: no
URL: http://www.chnosz.net/
Packaged: 2010-08-26 01:52:56 UTC; jedick
Repository: CRAN
Date/Publication: 2010-08-26 06:42:20

Package: CHNOSZ
Title: Chemical Thermodynamics and Activity Diagrams
Version: 0.9-3
Date: 2010-12-21
Author: Jeffrey M. Dick <jmdick@asu.edu>
Maintainer: Jeffrey M. Dick <jmdick@asu.edu>
Depends: R (>= 2.7.0), utils
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.
License: GPL (>= 2)
ZipData: no
URL: http://www.chnosz.net/
Packaged: 2010-12-21 18:05:52 UTC; jedick
Repository: CRAN
Date/Publication: 2010-12-22 08:57:00