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SELFCONSISTENT MODEL FOR THE CALCULATION OF THERMOELASTIC AND CALORIC PROPERTIES OF MINERALSстатья
Информация о цитировании статьи получена из
Web of Science
Дата последнего поиска статьи во внешних источниках: 26 августа 2016 г.
- Авторы: Polyakov V.B., Kuskov OL
- Журнал: GEOKHIMIYA
- Номер: 7
- Год издания: 1994
- Первая страница: 1096
- Последняя страница: 1122
- Аннотация: A selfconsistent model for the caculation of thermoelastic and caloric properties of minerals within the broad P - T range is presented. The model is based on the specific type of oscillation spectrum suggested by Kiffer and on Born-Mayer potential. Main peculiarity of this model includes the consistency of the oscillatory spectrum with the potential ascribing the dependence of static lattice energy in relation to its volume. The consistency is achieved by the selection of Born-Mayer potential parameters so as to satisfy the equation of state along the zero isobar. The second peculiarity of the model involves the possibility to use the equilibrium isotopic factors (beta-factors) as in put data saong with traditional ones such as specific heat capacity, heat extension, elastic compression module and its isothermal derivative with respect to pressure. Such approach makes possible to derive more reliable oscilation spectrum parameters in high frequency interval the latter being especially important for minerals with large number of atoms in the elementary cell. Our model was checked on such examples as periclase, calcium oxide, corundum, forsterite and grossular and indicated fair possibilities for its application for the calculation or thermodynamic properties of minerals and its extrapolation in such P - T interval where such data are scarce of absent. It seems necessary to apply the model for calculation of reference equation of state for minerals having no phase transformations in wide P-T range for the purpose of calibrated standards. Corresponding software for IBM is developed.
- Добавил в систему: Поляков Вениамин Борисович