Microscopic P,T-thermodynamical description of high pressure effects in condensed phase.- I. General approach

A new approach to the thermodynamic description of a microscopic system in a lattice field approximation is formulated. Within this approach the pressure influence on a microscopic subsystem is represented by a pressure-dependent effective medium potential. Expressions for thermodynamic functions of...

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Bibliographic Details
Published in:Journal of molecular liquids 1986, Vol.33 (1), p.1-28
Main Authors: Basilevsky, M.V., Weinberg, N.N.
Format: Article
Language:English
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Summary:A new approach to the thermodynamic description of a microscopic system in a lattice field approximation is formulated. Within this approach the pressure influence on a microscopic subsystem is represented by a pressure-dependent effective medium potential. Expressions for thermodynamic functions of a microscopic system are obtained and the concept of a microscopic thermodynamic volume is introduced. A “minimum enthalpy principle” is formulated and accounted for according to which, when discussing high pressure effects on physico-chemical processes in condensed phase, characteristic system states (initial reactants, final products, transition state) should be identified with respective stationary points of an enthalpy surface rather than a potential energy surface.
ISSN:0167-7322
1873-3166
DOI:10.1016/0167-7322(86)80034-4