TITLE

Interaction between macroparticles in Lennard-Jones fluids or in hard-sphere mixtures

AUTHOR(S)
Kinoshita, Masahiro; Iba, Shin-ya; Kuwamoto, Ken; Harada, Makoto
PUB. DATE
October 1996
SOURCE
Journal of Chemical Physics;10/22/1996, Vol. 105 Issue 16, p7177
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We report results of numerical analyses on the surface (macroparticle) interactions in simple fluids. The singlet Ornstein–Zernike theories with hypernetted-chain closures are employed. With no (or very weak) attraction in the surface–fluid interaction uMS, both the interaction [lowercase_phi_synonym]MM and the force fMM between macroparticles in Lennard-Jones fluids are characterized by monotonically decreasing attraction. With increasing attraction in uMS, however, [lowercase_phi_synonym]MM and fMM become more oscillatory. The force between planar Lennard-Jones solids immersed in a Lennard-Jones fluid previously calculated by the grand canonical ensemble Monte Carlo simulation, which oscillates around zero with strong repulsion at small surface-to-surface separations, is well reproduced by our theoretical approach. The previously reported experimental observation that the addition of cyclohexane to octamethylcyclotetrasiloxane causes a reduction in the range of the solvation force is well demonstrated by our theoretical calculations on a simple binary mixture of hard spheres with different diameters. Similarly, the model reproduces the observation that at a sufficiently high mole fraction of cyclohexane there is less structure than in either of the pure liquids. © 1996 American Institute of Physics.
ACCESSION #
7640022

 

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