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

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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Cited by in corpus (3)

• Free-Energy Functional Method for Inverse Problem of Self Assembly
• Fine discretization of pair interactions and an approximate analytical strategy for predicting equilibrium behavior of complex fluids
• User-friendly, theory-based web applet for rapidly predicting structure and thermodynamics of complex fluids