The application of integral equation theories to fluids of nonspherical particles near a uniform planar wall
- 1 October 1991
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 95 (7) , 5281-5288
- https://doi.org/10.1063/1.461667
Abstract
A general reduction of the Ornstein–Zernike equation is given for molecular fluids near a planar wall. This allows integral equation approximations such as the hypernetted-chain or reference hypernetted-chain (RHNC) theories to be solved numerically for such systems. Dipolar hard sphere fluids near a hard wall are considered in detail and RHNC solutions are obtained. The results are compared with previous calculations for curved surfaces. The RHNC result for the asymptotic behavior of the wall–solvent pair correlation function at large separations is derived and compared with expressions given by classical continuum theory and by exact analysis.Keywords
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