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

Kinoshita, Masahiro; Iba, Shin-ya; Kuwamoto, Ken; Harada, Makoto
October 1996
Journal of Chemical Physics;10/22/1996, Vol. 105 Issue 16, p7177
Academic Journal
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.


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