ON ANHARMONIC AND PRESSURE CORRECTIONS TO THE EQUILIBRIUM ISOTOPIC CONSTANTS FOR MINERALS
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dc.contributor.author | Polyakov V.B. | |
dc.date.accessioned | 2020-12-30T04:47:18Z | |
dc.date.available | 2020-12-30T04:47:18Z | |
dc.date.issued | 1998 | |
dc.identifier | https://elibrary.ru/item.asp?id=13277266 | |
dc.identifier.citation | Geochimica et Cosmochimica Acta, 1998, , 18, 3077-3085 | |
dc.identifier.issn | 0016-7037 | |
dc.identifier.uri | https://repository.geologyscience.ru/handle/123456789/21756 | |
dc.description.abstract | Specifies of the calculations of the reduced isotopic partition function ratios (β-factor) of minerals are discussed. Comparative calculations in the framework of the fully harmonic, quasi-harmonic, and intrinsic anharmonic approximations show minor anharmonic corrections to the harmonic values of the β-factor. In the case of calcite, the difference between the fully harmonic and intrinsic anharmonic values of 103lnβ varies from 0.60 at 300 K to 0.37 at 1200 K and is close to typical values of the anharmonic correction in gas molecules.A new treatment for calculating isotopic effects in molar volumes of minerals and pressure effects on their β-factors is developed on the basis of the Mie-Grüneisen equation of state. There is no significant difference between the quasi-harmonic and intrinsic harmonic values of (∂lnβ/∂P)T. For calcite, the pressure derivative of the β-factor is positive, decreases monotonically with temperature, and becomes small at T ∼ 1000 K (103(∂lnβ/∂P)T ≈ 0.1–0.15 GPa−1).These results contradict the large anharmonic and pressure effects to the β-factor of calcite calculated by Gillet et al. (1996) as well as their conclusion that the pressure correction to the β-factor of calcite is negative at higher temperatures and increases in its absolute value with increasing temperature. | |
dc.title | ON ANHARMONIC AND PRESSURE CORRECTIONS TO THE EQUILIBRIUM ISOTOPIC CONSTANTS FOR MINERALS | |
dc.type | Статья |
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