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.

References in corpus (8)

• Thermodynamics and Dynamics of the Two-Scale Spherically-Symmetric Jagla Model of Anomalous Liquids
• A Family of Tunable Spherically-Symmetric Potentials that Span the Range from Hard Spheres to Water-like Behavior
• Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states
• Tuning density profiles and mobility of inhomogeneous fluids
• Designed Diamond Ground State via Optimized Isotropic Monotonic Pair Potentials
• Designing isotropic interactions for self-assembly of complex lattices
• Enhancing tracer diffusivity by tuning interparticle interactions and coordination shell structure
• Fine discretization of pair interactions and an approximate analytical strategy for predicting equilibrium behavior of complex fluids

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