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Title

PET: Petrological Elementary Tools for Mathematica: an update
Author

E. Dachs
Journal / Anthology

Computers & Geosciences
Year: 2004
Volume: 30
Page range: 173-182
Description

Many new features have been incorporated into the previously published version of PET—Petrological Elementary Tools for Mathematica®. Reaction equilibria can now be calculated with the newly included thermodynamic data sets of Gottschalk and Holland and Powell, in addition to those of Berman. Activity models compatible with these internally consistent data sets can be easily included to take into account the effect of solid solution as, for example, obtained by electron microprobe. The geothermobarometer package has been updated and comprises all new calibrations of the most widely used single equilibrium geothermobarometers (25 thermometers, 16 barometers). The processing of mineral-chemical analyses has been extended to include plotting functions for 24 plot-types of rock-forming minerals (XY and triangular plots) as well as the possibility of searching mineral-chemical data files for particular analyses specified by user-defined criteria. This provides the opportunity for easily creating a plot combining mineral analyses from several data files, or to draw plots differentiating several generations of the same mineral in texturally complex rocks.

Seven Mathematica notebooks with a total of 86 examples demonstrate the wide applicability of PET in solving petrological tasks.
Subjects

*Engineering > Chemical Engineering
*Science > Geology and Geophysics
Keywords

Thermodynamic calculation of mineral equilibria, Activity models of solid solutions, Geothermobarometry, Mineral formula calculation, Mineral-chemical plots
Related items

*PET: Petrological Elementary Tools for Mathematica   [in Articles]