An Accurate Equation of State for Fluids and Solids

作者：Parsafar G A^*; Spohr H V; Patey G N

来源：Journal of Physical Chemistry B, 2009, 113(35): 11977-11987.

DOI：10.1021/jp903519c

A simple functional form for a general equation of state based on an effective near-neighbor pair interaction of an extended Lennard-Jones (12,6,3) type is given and tested against experimental data for a wide variety of fluids and solids, Computer simulation results for ionic liquids are used for further evaluation. For fluids, there appears to be no upper density limitation on the equation of state, The lower density limit for isotherms near the critical temperature is the critical density. The equation of state gives a good description of all types of fluids, nonpolar (including long-chain hydrocarbons), polar, hydrogen-bonded, and metallic, at temperatures ranging from the triple point to the highest temperature for which there is experimental data. For solids, the equation of state is very accurate for all types considered, including covalent, molecular, metallic, and ionic systems. The experimental pvT data available for solids does not reveal any pressure or temperature limitations. An analysis of the importance and possible underlying physical significance of the terms in the equation of state is given.

• 出版日期2009-9-3