A new add-on for the Theriak/Domino software package
- Theriak_D is a new add-on for the open source Theriak/Domino software package.
It works as an interface, providing the opportunity to process thermodynamic data in a programming environment like C, MATLAB® or SciLab©.
- The Theriak/Domino software package (written in Fortran) provides a wide range of thermodynamic equilibrium calculations and illustrations facilities (de Capitani & Petrakakis, 2010), based on the Gibbs free energy minimization (de Capitani & Brown, 1987). However the program is restricted to its own environment. To learn more about the Theriak/Domino software package and its installation, read these files Theriak/Domino User's Guide and Input and data.
The Theriak_D add-on allows the user to process thermodynamic data, calculated by Theriak/Domino, outside the package. Thus, the add-on provides the opportunity to calculate thermodynamic properties in a programming environment like MATLAB®, SCILAB© or C, calling Theriak/Domino from a script.
Theriak_D allows the user to compute chemical and physical parameters (like the solid rock density/volume/weight, the amount of free fluids or the molar amount of stable mineral phases) along any pressure-temperature path and P-T grid. For example, the solid rock density of a 2D-temperature-pressure field is calculated, portraying a simplified subduction zone.
Using Theriak_D in a similar manner opens up thermodynamics to people with only a basic knowledge of phase diagrams and similar thermodynamic illustration techniques, e.g. by illustrating thermodynamic properties in a more familiar setting like subduction zones. The tool will, hopefully, support other ideas and functions that combine thermodynamics and geodynamic models. Such combined models may improve our understanding of geodynamic processes.
This website introduces Theriak_D and includes typical examples of its functionality.
- All documents presented are derived from either an original work or a compilation of the authors. All these documents are copyrighted under a Creative Common license.
The Theriak_D add-on is still under development, any comments or suggestions to stimulate discussion and improve the content are welcome. The site content will grow gradually over time (new functions, scripts...). Do not hesitate to get back to see what's new or contact us.
Enjoy your visit!
Author of the website: Erik Duesterhoeft
Author of Theriak_D add-on: Erik Duesterhoeft
Author of Theriak/Domino: Christian de Capitani
To contact me, use the following link or email address: firstname.lastname@example.org or ed (a) min.uni-kiel.de
To cite documents about Duesterhoeft E. and de Capitani C. (2013): Theriak_D: An add-on to implement equilibrium computations in geodynamic models. Geochemistry, Geophysics, Geosystems 14: 4962-4967. DOI: 10.1002/ggge.20286
de 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
All documents are licensed under Creative Common terms. They can be downloaded and used without limitations, except commercial purpose without permissions. If you use for publication some documents, modified or not, you have to cite them and to share them for free.