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arXiv · 1609.06548

Analytic Solution of the Ornstein-Zernike Relation for Inhomogeneous Liquids

Yan He·Stuart A. Rice·Xinliang Xu
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Abstract

The properties of a classical simple liquid can be strongly affected by application of an external potential that supports inhomogeneity. To understand the nature of these property changes the equilibrium particle distribution functions of the liquid have, typically, been evaluated individually as functions of system control parameters, such as the packing fraction of a hard sphere liquid. In this study we focus attention on two distribution functions that characterize the inhomogeneous liquid: the pair direct correlation function $c(\mathbf{r}_1,\mathbf{r}_2)$ and the pair correlation function $g(\mathbf{r}_1,\mathbf{r}_2)$. We solve the Ornstein-Zernike equation for the inhomogeneous liquid to obtain $c(\mathbf{r}_1,\mathbf{r}_2)$ as an explicit function of $g(\mathbf{r}_1,\mathbf{r}_2)$, with the latter considered to be an experimental observable, using information about the well studied and resolved $g^0(\mathbf{r}_1-\mathbf{r}_2)$ and $c^0(\mathbf{r}_1-\mathbf{r}_2)$ for the parent homogeneous ($^0$) system. The result obtained with our formulation is tested against the exact solutions for the correlation and distribution functions of a one-dimensional inhomogeneous hard rod liquid. Following the success of that test the formalism is extended to obtain $c(\mathbf{r}_1,\mathbf{r}_2)$ as an explicit function of $g(\mathbf{r}_1,\mathbf{r}_2)$ in a three dimensional liquid.

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Yan He, Stuart A. Rice, Xinliang Xu. 2016-12-01. Analytic Solution of the Ornstein-Zernike Relation for Inhomogeneous Liquids. https://doi.org/10.1063/1.4972020

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