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THERIAK-DOMINO

THERIAK-DOMINO FOR WINDOWS (1,54MB)
The Windows version of THERIAK-DOMINO is maintained and distributed by K. Petrakakis, Department for Geodynamics and Sedimentology, University of Vienna, Austria.

THERIAK-DOMINO FOR MACOS9 OR OSX; DEC
Other versions (Unix and derivates; MacOS9 or OSX; DEC) as well as the source code is maintained and distributed by C. de Capitani, Department of Geosciences, Institute of Mineralogy and Petrography, University of Basel, Switzerland.


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 of phases and assemblages as well as rock-specific equilibrium assemblage diagrams (RSEAD) that elsewhere are called "pseudo-sections". This collection includes the following programs:

Theriak, the heart of the collection, calculates the stable mineral assemblage and equilibrium phase compositions for a given rock (bulk composition) at specified P, T conditions.

Domino may calculate
a) Rock-specific equilibrium assemblage diagrams (elsewhere called "pseudo-sections") with selectable axes (P, T, components activities, logarithms of components activities)
b) (Pseudo)-Binary or (pseudo)-ternary equilibrium assemblage diagrams.
c) Equilibrium phase compositional isopleths as well as density, volume or modal equilibrium distributions.
d) Distribution of rock bulk equilibrium parameters.

Therbin and Therter calculate binary and ternary equilibrium assemblage diagrams at constant P or T.

Thalia and Thermo calculate the phase or assemblage dependence of various thermodynamic parameters on T or P or (binary) composition at fixed P, T.

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 (Vers.140205) comprise:
1. Availability of executables for the most common operating systems (MacOS9 or OSX; Windows) as well as the source code (Fortran 77) for programmers and developers.
2. On-line help, beside a reworked, but still in construction user's guide.
3. Flexibility in tailoring file names according to user preferences.
4. Scheduling of time consuming unattended calculations.
5. Server installation (even over the net!).
6. Compatibility with and portability from currently available thermodynamic databases.


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 solution models as well as to user's choices rather than on the computational capabilities of modern software packages. Nevertheless, 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 rock-specific equilibrium assemblage diagrams (RSEAD) below were calculated and plotted without user intervention that might be a source of errors.

These figures are valid (and no "pseudo"!) equilibrium assemblage diagrams appropriate for the shown bulk compositions; they demonstrate the THERIAK-DOMINO properties mentioned above in case of complex RSEAD including complex solid solutions, fluids and (in case of the right figure) melts. Calculation and plotting of each of these “ready-to-use" RSEAD has been carried out with a 2.66 GHz PC running Windows 2000 in less than 25 minutes.
The THERIAK-DOMINO software is capable of porting satisfactorily thermodynamic data and models developed for THERMOCALC (Holland & Powell, 1998). For example, the right figure reproduces the essential features of Fig. 5 in Kelsey et al. (2004).


REFERENCES

DE CAPITANI C. & 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. (1994): Gleichgewichts-Phasendiagramme: Theorie und Software. Beihefte zum European Journal of Mineralogy, 72. Jahrestagung der Deutschen Mineralogischen Gesellschaft, 6, 48.

HOLLAND T.J.B. & 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. & 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.

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University of Vienna

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