Effective forces in square well and square shoulder fluids

Details Effective forces in square well and square shoulder fluids Effective forces in square well and square shoulder fluids

2010-07-30

arxiv.org/abs/1007.5451v1

J. Phys. Chem. B, 2010, 114 (37), pp 12085-12095

Physics

Condensed Matter

Statistical Mechanics

34 pages

Scientific paper

10.1021/jp105145x

We derive an analytical expression for the effective force between a pair of macrospheres immersed in a sea of microspheres, in the case where the interaction between the two unlike species is assumed to be a square well or a square shoulder of given range and depth (or height). This formula extends a similar one developed in the case of hard core interactions only. Qualitative features of such effective force and the resulting phase diagram are then analyzed in the limit of no interaction between the small particles. Approximate force profiles are then obtained by means of integral equation theories (PY and HNC) combined with the superposition approximation and compared with exact ones from direct Monte Carlo simulations.

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