相关论文: Direct correlation function of square well fluid w…
The structural and thermodynamic properties of fluids whose molecules interact via potentials with a hard-core plus a square well, a square shoulder, and a second square well, are considered. Those properties are derived by using a…
As is well known, one-dimensional systems with interactions restricted to first nearest neighbors admit a full analytically exact statistical-mechanical solution. This is essentially due to the fact that the knowledge of the first…
In this report the radial distribution functions (RDFs) of liquid water are calculated on the basis of the classical density functional theory combined with the reference interaction site model for molecular liquids. The bridge functions,…
A method to obtain (approximate) analytical expressions for the radial distribution functions in a multicomponent mixture of additive hard spheres that was recently introduced is used to obtain the direct correlation functions and bridge…
New relations among the mixture direct correlation function integrals (or fluctuation integrals) in terms of concentration variables are developed. These relations indicate that, for example, for a binary mixture only one of the three…
Direct numerical simulation of open-channel flow over a bed of spheres arranged in a regular pattern has been carried out at bulk Reynolds number and roughness Reynolds number (based on sphere diameter) of approximately 6900 and 120,…
In important early work, Stell showed that one can determine the pair correlation function h(r) of the hard sphere fluid for all distances r by specifying only the "tail" of the direct correlation function c(r) at separations greater than…
We carry out direct numerical simulation of compressible square duct flow in the range of bulk Mach numbers M_b = 0.2-3, and up to friction Reynolds number Re_{\tau} = 500. The effects of flow compressibility on the secondary motions are…
Using general local conservations laws we derive dispersion relations for edge modes in a slab of electron liquid confined by a symmetric potential. The dispersion relations are exact up to $\lambda^{2} q^{2}$, where $q$ is a wave vector…
The expressions of the autocorrelation functions (CF) of the regular tetrahedron and the regular octahedron are reported. They have an algebraic form that involves the arctangent function and rational functions of r and (a + b r2)1/2, a and…
We derive, from the dimensional cross-over criterion, a fundamental-measure density functional for parallel hard curved rectangles moving on a cylindrical surface. We derive it from the density functional of circular arcs of length $\sigma$…
In a recent publication[PRE 86, 04012 (2012)], Santos has presented a self-consistency condition that can be used to limit the possible forms of Fundamental Measure Theory. Here, the direct correlation function resulting from the Santos…
We investigate the value of the correlation function of an inhomogeneous hard-sphere fluid at contact. This quantity plays a critical role in Statistical Associating Fluid Theory (SAFT), which is the basis of a number of recently developed…
In a recent article, we described how the microscopic structure of density-density correlations in the fluid interfacial region, for systems with short-ranged forces, can be understood by considering the resonances of the local structure…
We study structural and thermophysical properties of a one-dimensional classical fluid made of penetrable spheres interacting via an attractive square-well potential. Penetrability of the spheres is enforced by reducing from infinite to…
The structural properties of square-shoulder fluids are derived from the use of the rational function approximation method. The computation of both the radial distribution function and the static structure factor involves mostly analytical…
Two related approaches, one fairly recent [A. Trokhymchuk et al., J. Chem. Phys. 123, 024501 (2005)] and the other one introduced fifteen years ago [S. B. Yuste and A. Santos, Phys. Rev. A 43, 5418 (1991)], for the derivation of analytical…
The contact values $g(\sigma,\sigma')$ of the radial distribution functions of a fluid of (additive) hard spheres with a given size distribution $f(\sigma)$ are considered. A ``universality'' assumption is introduced, according to which, at…
After a brief review of previous work, two exactly solvable two-dimensional models of a finite Coulomb fluid in a disc are studied. The charge correlation function near the boundary circle is computed. When the disc radius is large compared…
We analyze the structure of the Fundamental Measure Theory for the free energy density functional of hard sphere mixtures. A comparative study of the different versions of the theory, and other density functional approaches, is done in…