PRESSURE-VOLUME-TEMPERATURE EQUATIONS OF STATE: A COMPARATIVE STUDY BASED ON NUMERICAL SIMULATIONS
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dc.contributor.author | Pavese A. | |
dc.date.accessioned | 2021-04-14T04:57:37Z | |
dc.date.available | 2021-04-14T04:57:37Z | |
dc.date.issued | 2002 | |
dc.identifier | https://www.elibrary.ru/item.asp?id=901276 | |
dc.identifier.citation | Physics and Chemistry of Minerals, 2002, 29, 1, 43-51 | |
dc.identifier.issn | 0342-1791 | |
dc.identifier.uri | https://repository.geologyscience.ru/handle/123456789/27765 | |
dc.description.abstract | The P-V-T equation of state (EoS) models of Birch-Murnaghan, Vinet and Poirier-Tarantola have been compared with one another and discussed in the light of their ability to reproduce thermoelastic functions and parameters by means of fitting to pressure-volume-temperature data artificially generated for spinel, corundum and forsterite. Numerical simulations relying upon semi-empirical potentials, lattice dynamics and the quasiharmonic approximation have been used to generate P-V-T data. The results obtained indicate that all the P-V-T EoSs tested predict bulk modulus at ambient conditions with errors confined, at worst, within a few percent, and reproduce correctly its dependence on temperature. The derivatives of the bulk modulus versus P and PT are less satisfactorily modelled. The bulk thermal expansion is determined by EoSs within a few percent error, but the deviations increase significantly if the approximation of linear dependence of EoS on temperature is used (linearised thermal pressure model). | |
dc.subject | P-V-T EOSS | |
dc.subject | SPINEL | |
dc.subject | CORUNDUM | |
dc.subject | FORSTERITE | |
dc.title | PRESSURE-VOLUME-TEMPERATURE EQUATIONS OF STATE: A COMPARATIVE STUDY BASED ON NUMERICAL SIMULATIONS | |
dc.type | Статья |
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