Journal ArticleDOI
Asymptotic decay of liquid structure: oscillatory liquid-vapour density profiles and the Fisher-Widom line
TLDR
In this paper, the Fisher-Widom (FW) line was introduced to define the divergence point between pure exponential from exponentially damped oscillatory decay of the radial distribution function g(r) at a liquid-vapour interface.Abstract:
Recent work has highlighted the existence of a unified theory for the asymptotic decay of the density profile ρ(r) of an inhomogeneous fluid and of the bulk radial distribution function g(r). For a given short-ranged interatomic potential ρ(r) decays into bulk in the same fashion as g(r), i.e. with the same exponential decay length (α0/-1) and, for sufficiently high bulk density (ρb) and/or temperature (T), oscillatory wavelength (2π/α1). The quantities α0 and α1 are determined by a linear stability analysis of the bulk fluid; they depend on only the bulk direct correlation function. In this paper we reintroduce the concept of the Fisher-Widom (FW) line. This line was originally introduced, in say the (ρb, T plane, as that which separates pure exponential from exponentially damped oscillatory decay of g(r). We explore the relevance of the FW line for the form of the density profile at a liquid-vapour interface. Using a weighted density approximation (WDA) density functional theory we locate the FW line fo...read more
Citations
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Molecular dynamics study of water clusters, liquid, and liquid-vapor interface of water with many-body potentials
Liem X. Dang,Tsun-Mei Chang +1 more
TL;DR: In this article, the authors used the molecular dynamics computer simulation technique to develop a rigid, four-site polarizable model for water, which reasonably describes the important properties of water clusters, the thermodynamic and structural properties of the liquid and the liquid/vapor interface of water.
Journal ArticleDOI
Depletion force in colloidal systems
TL;DR: In this paper, the interaction between large spheres in a dilute solution of mutually avoiding small spheres (of diameter σ ⪡ R and volume fraction φ), to third order in φ, is calculated.
Journal ArticleDOI
Asymptotic decay of correlations in liquids and their mixtures
TL;DR: In this paper, the authors consider the asymptotic decay of structural correlations in pure fluids, fluid mixtures, and fluids subject to various types of inhomogeneity, and give explicit results for the case of binary systems, expanding on and partially correcting recent work by Martynov.
Journal ArticleDOI
The decay of correlations in ionic fluids
TL;DR: In this paper, the asymptotics of structural correlations in binary ionic fluids are investigated using an extension of the pole analysis of the Ornstein-Zernike equation developed earlier for neutral mixtures.
Journal ArticleDOI
A perspective on the interfacial properties of nanoscopic liquid drops
TL;DR: A novel analysis shows that a purely macroscopic (static) mechanical treatment can lead to a qualitatively reasonable description of the surface tension and the Tolman length of a liquid drop; the latter parameter, which characterizes the curvature dependence of the tension, is found to be negative and has a magnitude of about a half of the molecular dimension.
References
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Book
Theory of simple liquids
TL;DR: In this article, the authors present a mathematical model for time-dependent correlation functions and response functions in liquid solvers, based on statistical mechanics and molecular distribution functions, and show that these functions are related to time correlation functions in Ionic and Ionic liquids.
Book
Molecular theory of capillarity
John S. Rowlinson,B. Widom +1 more
TL;DR: The theory of Van Der Waals statistical mechanics of the liquid-gas surface model fluids in the mean-field approximation computer simulation of the calculation of the density profile three-phase equilibrium interfaces near critical points as mentioned in this paper.
Journal ArticleDOI
The nature of the liquid-vapour interface and other topics in the statistical mechanics of non-uniform, classical fluids
TL;DR: In this paper, a new generalization of the linear theory of spinodal decomposition is formulated and by considering a "nearly uniform" fluid, some useful results for the long-wavelength behaviour of the liquid structure factor of various monatomic liquids are obtained.
Journal ArticleDOI
Free-energy density functional for hard spheres
TL;DR: Results are very good in both cases, showing that this density-functional model may be used with advantage in the study of the hard-sphere model by itself, or used as a reference system in a perturbative analysis.
Journal ArticleDOI
Computer simulation of a gas–liquid surface. Part 1
TL;DR: In this article, Monte Carlo and molecular dynamic simulations of the surface of a system of Lennard-Jones (12, 6) molecules have been carried out at temperatures which span most of the liquid range, showing that the density profile, as a function of height, falls monotonically from the density of the bulk liquid to that of gas.