Evaluation of thesscf andpy approximations for quadrupolar fluids
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Two approximations, the single super chainf-expansion (sscf), and Percus-Yevick (py) approximation, are evaluated for a molecular fluid in which the molecules interact with a pair potential, that is the sum of Lennard-Jones and quadrupole-quadrupole parts at two values of reduced quadrupole moment. These results are compared with Monte-Carlo results. Except for the harmonic coefficienth (222;r), thesscf approximation seems to be quite accurate for the lower value of quadrupole moment but at higher valuespy approximation produces much better results except forh(220;r).
KeywordsSingle superchainf-expansion Percus-Yevick approximation quadrupolar fluids
PACS No61.25 Em
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- Barker R 1983 (Private Communication)Google Scholar