Аннотация
The bridge function, $b(1,2)$, is an elusive quantity. It is a crucial ingredient for predicting liquid properties yet it is virtually an unknown quantity for non-spherical molecules. To remedy this situation we present novel Monte Carlo (MC) and
Integral Equation Theory (IET) methodologies for its calculation 1. We also, through Duh-Haymet (DH) scaling
plots 2, test the hypothesis that $b(1,2)$ is a function of the indirect correlation function $\gamma(1,2)$.
Results for a number of systems will be presented. In particular a systematic study $b(1,2)$ for hard spheroids with a range of aspect ratios will be made 1,3. DH plots, direct comparison of $b(1,2)$ and $\gamma(1,2)$ will be used to test the universality of the hard spheroid bridge function. For most of the elongations
studied, the relationship between $b(1,2)$ and $\gamma(1,2)$ resembles
the hard-sphere case, but for fluids of thin hard platelets the
behaviour is anomalous. Extension of previous work into mixtures and the nematic phase will also be discussed.\\
1) D. L. Cheung, L. Anton, M. P. Allen, and A. J. Masters, Phys. Rev. E, 73, 061204, 2006 \\
2) D. M. Duh and A. D. J. Haymet, J. Chem. Phys., 97, 7712, 1992 \\
3) D. L. Cheung, L. Anton, M. P. Allen, and A. J. Masters, 'Structure of molecular fluids: closure relationships for hard spheriods', in preparation
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