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arXiv · 1309.1395

Fine discretization of pair interactions and an approximate analytical strategy for predicting equilibrium behavior of complex fluids

Kyle B. Hollingshead·Avni Jain·Thomas M. Truskett
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Abstract

We study whether fine discretization (i.e., terracing) of continuous pair interactions, when used in combination with first-order mean-spherical approximation theory, can lead to a simple and general analytical strategy for predicting the equilibrium structure and thermodynamics of complex fluids. Specifically, we implement a version of this approach to predict how screened electrostatic repulsions, solute-mediated depletion attractions, or ramp-shaped repulsions modify the radial distribution function and the potential energy of reference hard-sphere fluids, and we compare the predictions to exact results from molecular simulations.

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Kyle B. Hollingshead, Avni Jain, Thomas M. Truskett. 2013-09-05. Fine discretization of pair interactions and an approximate analytical strategy for predicting equilibrium behavior of complex fluids. https://doi.org/10.1063/1.4826649

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