Equations of state of nonspherical fluids by spherical intermolecular potentials
The equilibrium properties of anisotropic molecular fluids can be in principle calculated in a statistical mechanics framework, but the theory is generally too cumbersome for many practical applications. Fortunately, at high densities and temperatures the anisotropy can be averaged-out by means of a density and temperature independent potential (the median) that produces reliable thermodynamics [1,2]. The proposal of Shaw and Johnson [1], which turns out to be the so-called median potential [2], is very successful in predicting the thermodynamics of simple fluids such as N{sub 2} and CO{sub 2} at reasonable high pressures and temperatures [3]. Lebowitz and Percus [2] pointed out some time ago that the success of this approximation could perhaps be understood in terms of a simple theory that treats the asphericity as a perturbation. The median appears to be the best choice for hard nonspherical potential [4], which may explain its success for fluids at high densities, where the hard core contribution is known to be dominant.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE Office of Defense Programs (DP) (US)
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 14913
- Report Number(s):
- UCRL-JC-135454; DP0101031; DP0101031; TRN: AH200130%%123
- Resource Relation:
- Conference: The 40th Annual High Pressure Conference of Japan, Fukuoka City (JP), 11/10/1999--11/12/1999; Other Information: PBD: 16 Aug 1999
- Country of Publication:
- United States
- Language:
- English
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