CONTACT PAIR CORRELATION-FUNCTIONS AND EQUATION OF STATE FOR NONADDITIVE HARD-SPHERE MIXTURES

Authors
Citation
Ez. Hamad, CONTACT PAIR CORRELATION-FUNCTIONS AND EQUATION OF STATE FOR NONADDITIVE HARD-SPHERE MIXTURES, The Journal of chemical physics, 105(8), 1996, pp. 3222-3228
Citations number
26
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
105
Issue
8
Year of publication
1996
Pages
3222 - 3228
Database
ISI
SICI code
0021-9606(1996)105:8<3222:CPCAEO>2.0.ZU;2-J
Abstract
We present some exact results for mixtures of nonadditive hard spheres and use them to derive two models for the contact values of the pair correlation functions and the equation of state. The new models are ge neral in that they are not limited to binary mixtures, equal size comp onents, or a certain range of the nonadditivity parameter. Comparison with the available computer simulation data for equal size components show that the new models predict satisfactory the equation of state da ta and the contact values. The prediction of the critical point of flu id-fluid phase separation is satisfactory at small and large values of the nonadditivity parameter, and less so at intermediate values. (C) 1996 American Institute of Physics.