by Christian de Capitani | University of Basel, Mineralogy and Petrography |
Download databases used in:
Franz L, Romer, RL, de Capitani C (20xx). Xxxxxxxx. Contrib Mineral Petrol xxx:xxx-xxx.
tcdb55c2do.zip
tcdb55c2donlx.zip
tcdb55c2donlxOHM.zip
tcdb55c2donlxs.zip
Download Input and Databases for Figures in:
de Capitani C. and Petrakakis K. (2010): The computation of equilibrium assemblage
diagrams with Theriak/Domino software. American Mineralogist 95:1006-1016
Figures2010MAC.zip (Line endings: 0A)
Figures2010WIN.zip (Line endings: 0D 0A)
Other cool software: (Lanari et al., 2014)
What is the THERIAK-DOMINO software?The THERIAK-DOMINO Software is a program collection written by C. de Capitani to calculate and plot thermodynamic functions, equilibrium assemblages and rock-specific equilibrium assemblage diagrams (elsewhere also called pseudo-sections). This collection includes the following programs: Theriak, the heart of the collection, calculates the stable mineral assemblage and phase compositions for a given rock (bulk composition) at specified P,T conditions. Domino may calculate (a) equilibrium assemblage diagrams with selectable axes (P, T, components activity and logarithms of components activity), (b) Pseudo-binary or pseudo-ternary phase diagrams, (c) Phase compositional isopleths as well as density, volume or modal amount distributions; (d) Distribution of rock bulk parameters. Therbin and Therter calculate binary and ternary phase diagrams at constant P and/or T. Thalia and Thermo calculate the phase or assemblage dependence of thermodynamic parameters on T or P or (binary) composition. Guzzler and Explot are used to transform graphics information from the above programs to 'ready to use' postscript files that can be viewed on screen or printed to a hard-copy. All programs are free for non-commercial purposes and may be used only at the user's responsibility. The features of the current version (01.08.2009) comprise:
Why THERIAK-DOMINO?Results calculated by THERIAK-DOMINO are not better or worse that results calculated by other comparable programs. The quality of results depends merely on the quality of the input thermodynamic data and models as well as to user's choices rather than on the computational capabilities of modern software packages. Based on its approach to equilibrium by means of Gibbs free energy minimization (c.f. de Capitani & Brown, 1987) rather than solving complex and large equation systems, the Theriak-Domino software is exceptionally robust and fast. The equilibrium assemblage diagrams below (Fig. 1) were calculated and plotted without user intervention that might be a source of errors.
The THERIAK-DOMINO software is capable of porting most thermodynamic data and models developed for THERMOCALC (Holland & Powell, 1998). The right figure reproduces satisfactorily Fig. 5 in Kelsey et al. (2004). Referencesde Capitani C. and Brown T.H. (1987): The computation of chemical equilibrium in complex systems containing non-ideal solutions. Geochim. Cosmochim. Acta 51:2639-2652. de Capitani C. and Petrakakis K. (2010): The computation of equilibrium assemblage diagrams with Theriak/Domino software. American Mineralogist 95:1006-1016 de Capitani C. (1994): Gleichgewichts-Phasendiagramme: Theorie und Software. Beihefte zum European Journal of Mineralogy, 72. Jahrestagung der Deutschen Mineralogischen Gesellschaft, 6,48. Holland T.J.B. and Powell R. (1998): An internally consistent thermodynamic data set for phases of petrological interest. J. metamorphic Geol., 16: 309-343. Kelsey D. E., White R.W., Holland T.J.B. and Powell R. (2004): Calculated phase equilibria in K2O-FeO-MgO-Al2O3-SiO2-H2O for sapphirine-quartz-bearing mineral assemblages. J. metamorphic Geol., 22: 559-578. All programs are written in standard Fortran90. They are
running on a DEC 3000 in Basel, some SUN Sparc stations in Bern,
Zürich, Freiburg and Wien and on several PowerMacs all over the world.
Short description of the THERIAK-DOMINO SoftwareFor a description please use the download-link. A on-line description will be available as soon that it is ready.
Christian de Capitani
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