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| Titel |
A Computational Framework for Mineralogical Thermodynamics |
| VerfasserIn |
Thomas Christian Chust, Gerd Steinle-Neumann, Hans-Peter Bunge |
| Konferenz |
EGU General Assembly 2013
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| Medientyp |
Artikel
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| Sprache |
Englisch
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| Digitales Dokument |
PDF |
| Erschienen |
In: GRA - Volume 15 (2013) |
| Datensatznummer |
250074568
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| Zusammenfassung |
| Determining the compositional, thermodynamic and mechanical properties of the polycrystalline aggregates in the mantle is an essential tool for geodynamic and seismological applications. We have developed an efficient, object-oriented, extensible software framework to facilitate such computations: Taking a database of thermodynamic model parameters for different minerals, a stable phase assemblage can be determined using Gibbs energy minimization at any given pressure and temperature. The program also computes densities, elastic moduli, heat capacities and thermal expansivities to name a few possibilities. These outputs can be transferred to control parameters of the mass and energy balance equations of a mantle convection model or of the propagation equation for seismic waves. |
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