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The chemical potentials of multicomponent fluids are derived in terms of the pair correlation functions for arbitrary number of components, interaction potentials, and dimensionality. The formally exact result is particularized to…

统计力学 · 物理学 2013-05-31 Andrés Santos , René D. Rohrmann

The phase diagram of a binary fluid mixture of highly asymmetric additive hard spheres is investigated. Demixing is analyzed from the exact low-density expansions of the thermodynamic properties of the mixture and compared with the…

软凝聚态物质 · 物理学 2007-05-23 C. F. Tejero , M. Lopez de Haro

Recent values for virial coefficients up to B12, when expressed in powers of density relative to maximum close packing,lead to a closed equation-of-state for the equilibrium fluid. The series obtained converges for all densities;it becomes…

统计力学 · 物理学 2008-02-02 Leslie V. Woodcock

We construct a non-perturbative fully analytical approximation for the thermodynamics and the structure of nonadditive hard-sphere fluid mixtures. The method essentially lies in a heuristic extension of the Percus-Yevick solution for…

软凝聚态物质 · 物理学 2011-10-14 Riccardo Fantoni , Andrés Santos

The phase behavior of the Baxter adhesive hard sphere fluid has been determined using specialized Monte Carlo simulations. We give a detailed account of the techniques used and present data for the fluid-fluid coexistence curve as well as…

软凝聚态物质 · 物理学 2009-11-10 M. A. Miller , D. Frenkel

The coupling-parameter method, whereby an extra particle is progressively coupled to the rest of the particles, is applied to the sticky-hard-sphere fluid to obtain its equation of state in the so-called chemical-potential route ($\mu$…

软凝聚态物质 · 物理学 2014-04-15 René D. Rohrmann , Andrés Santos

The fourth virial coefficient is calculated exactly for a fluid of hard spheres in odd dimensions up to 11.

统计力学 · 物理学 2009-11-10 I. Lyberg

The crystal-melt interfaces of a binary hard-sphere fluid mixture in coexistence with a single-component hard-sphere crystal is investigated using molecular-dynamics simulation. In the system under study, the fluid phase consists of a…

化学物理 · 物理学 2009-11-07 Rachel Sibug-Aga , Brian B. Laird

This paper presents a three-dimensional analytical study of the intrinsic free vibration of an elastic multilayered hollow sphere interacting with an exterior non-Newtonian fluid medium. The fluid is assumed to be characterized by a…

软凝聚态物质 · 物理学 2021-08-02 B. Wu , Y. Gan , E. Carrera3 , W. Q. Chen

The compressibility equation of state for a multicomponent fluid of particles interacting via an infinitely narrow and deep potential, is considered within the mean spherical approximation (MSA). It is shown that for a class of models…

统计力学 · 物理学 2009-11-07 Domenico Gazzillo , Achille Giacometti

We present a new method for Monte Carlo or Molecular Dynamics numerical simulations of three dimensional polar fluids. The simulation cell is defined to be the surface of the northern hemisphere of a four-dimensional (hyper)sphere. The…

软凝聚态物质 · 物理学 2014-09-29 Jean-Michel Caillol , Martin Trulsson

The fourth virial coefficient is calculated exactly for a fluid of hard spheres in even dimensions. For this purpose the complete star cluster integral is expressed as the sum of two three-folded integrals only involving spherical angular…

统计力学 · 物理学 2022-05-11 Ignacio Urrutia

The rational function approximation method, density functional theory, and NVT Monte Carlo simulation are used to obtain the density profiles of multicomponent hard-sphere mixtures near a planar hard wall. Binary mixtures with a size ratio…

统计力学 · 物理学 2007-06-06 Alexandr Malijevsky , Santos B. Yuste , Andres Santos , Mariano Lopez de Haro

A general equation of state for the hard-body reference system of real fluid has been developed from first principles, statistical mechanical arguments using metric differential geometry to describe the "available volume," V0, and its…

化学物理 · 物理学 2007-05-23 J. F. Kenney , Richard J. Petti

An equation of state of the hard sphere fluid which is not analytical at the freezing density is proposed and tested. The nonanalytical term is based on the the classical nucleation theory and is able to capture the observed ``anomalous…

统计力学 · 物理学 2016-07-06 J. Kolafa

Values of the fifth virial coefficient, compressibility factors, and fluid-fluid coexistence curves of binary asymmetric nonadditive mixtures of hard disks are reported. The former correspond to a wide range of size ratios and positive…

The fourth virial coefficient of additive hard-sphere mixtures, as predicted by the Percus-Yevick (PY) and hypernetted-chain (HNC) theories, is derived via the compressibility, virial, and chemical-potential routes, the outcomes being…

统计力学 · 物理学 2014-07-07 Elena Beltrán-Heredia , Andrés Santos

The stability of a quasicrystalline structure, recently obtained in a molecular-dynamics simulation of rapid cooling of a binary melt, is analyzed for binary hard-sphere mixtures within a density-functional approach. It is found that this…

材料科学 · 物理学 2017-02-08 H. M. Cataldo

The demixing transition of a binary fluid mixture of additive hard spheres is analyzed for different size asymmetries by starting from the exact low-density expansion of the pressure. Already within the second virial approximation the fluid…

统计力学 · 物理学 2009-11-10 M. Lopez de Haro , C. F. Tejero

We evidence via a computation in the reciprocal space the asymptotic behaviour of the high order virial coefficients for a hard sphere system. These coefficients, if their order is high enough, are those of a geometric series. We thus are…

统计力学 · 物理学 2015-03-23 Richard Bonneville