@article {6968,
title = {THE APPLICATION OF INTEGRAL-EQUATION THEORIES TO FLUIDS OF NONSPHERICAL PARTICLES NEAR A UNIFORM PLANAR WALL},
journal = {Journal of Chemical Physics},
volume = {95},
number = {7},
year = {1991},
note = {ISI Document Delivery No.: GH356Times Cited: 37Cited Reference Count: 39},
month = {Oct},
pages = {5281-5288},
type = {Article},
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 = {AQUEOUS-ELECTROLYTE SOLUTIONS, DIPOLAR HARD-SPHERES, ELECTRICAL DOUBLE-LAYER, HYPERNETTED-CHAIN, INFINITE DILUTION, INVARIANT EXPANSION, MEAN, MOLECULAR-SOLVENT MODEL, ORIENTATIONAL, ORNSTEIN-ZERNIKE EQUATION, SPHERICAL MODEL, STRUCTURE},
isbn = {0021-9606},
url = {://A1991GH35600061},
author = {Berard, D. R. and Patey, G. N.}
}
@article {6958,
title = {INTERACTION FREE-ENERGY BETWEEN PLANAR WALLS IN DENSE FLUIDS - AN ORNSTEIN-ZERNIKE APPROACH WITH RESULTS FOR HARD-SPHERE, LENNARD-JONES, AND DIPOLAR SYSTEMS},
journal = {Physical Review A},
volume = {44},
number = {12},
year = {1991},
note = {ISI Document Delivery No.: GW604Times Cited: 63Cited Reference Count: 43},
month = {Dec},
pages = {8224-8234},
type = {Article},
abstract = {The interaction free energy per unit area between planar walls is given as a convolution of wall-solvent pair-correlation functions. This result, derived from the large radius limit of the macrosphere-solvent Ornstein-Zernike equations, and from the hypernetted-chain closure, provides a statistical-mechanical basis for the Derjaguin approximation, and is both generally applicable and computationally tractable. It is found that the interaction between hard walls in a hard-sphere fluid is oscillatory, and in good agreement with simulations. The van der Waals attraction emerges from asymptotic analyses of Lennard-Jones and dipolar fluids, and the full expression allows calculation of this quantity down to molecular separations. This is demonstrated by numerical results for dipolar fluids.},
keywords = {APPROXIMATION, ELECTRICAL DOUBLE-LAYERS, ELECTROLYTES, equation, HYPERNETTED-CHAIN, INHOMOGENEOUS FLUIDS, INVARIANT EXPANSION, MODEL, MONTE-CARLO, SURFACES},
isbn = {1050-2947},
url = {://A1991GW60400049},
author = {Attard, P. and Berard, D. R. and Ursenbach, C. P. and Patey, G. N.}
}