Journal ArticleDOI
Equation of State for Nonattracting Rigid Spheres
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In this paper, a new equation of state for rigid spheres has been developed from an analysis of the reduced virial series, which possesses superior ability to describe rigid-sphere behavior compared with existing equations.Abstract:
A new equation of state for rigid spheres has been developed from an analysis of the reduced virial series. Comparisons with existing equations show that the new formula possesses superior ability to describe rigid‐sphere behavior.read more
Citations
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Kinetics of adsorption on activated carbon: application of heterogeneous vacancy solution theory
TL;DR: In this paper, a heterogeneous vacancy solution theory of adsorption is proposed to account for the adsorbate non-ideality due to the size difference between the adorbate molecule and the vacant site, while incorporating adsorbent heterogeneity through a porewidth-related potential energy.
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Ionic asymmetry and solvent excluded volume effects on spherical electric double layers: A density functional approach
TL;DR: A classical density functional theory for electrical double layers of spherical macroions is presented that extends the capabilities of conventional approaches by accounting for electrostatic ion correlations, size asymmetry, and excluded volume effects by utilizing a leading functional Taylor expansion approximation of the ion density profiles.
Journal ArticleDOI
The generic van der Waals equation of state and self-diffusion coefficients of liquids
Kyunil Rah,Byung Chan Eu +1 more
TL;DR: In this article, the authors used the generic van der Waals equation of state to define the free volume of liquids along the liquid-vapor coexistence line (liquids curve) in the case of liquid argon and along three isotherms in the high-pressure regime in liquid methane.
Journal ArticleDOI
Efficient classical density-functional theories of rigid-molecular fluids and a simplified free energy functional for liquid water
TL;DR: A simplified free-energy functional for water is constructed which captures the radial distributions, cavitation energies, and the linear and nonlinear dielectric response of liquid water.
Journal ArticleDOI
Density functional for anisotropic fluids
TL;DR: In this article, a density functional for anisotropic fluids of hard body particles is proposed, interpolating between the well established geometrically based Rosenfeld functional for hard spheres and the Onsager functional for elongated rods.
References
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Journal ArticleDOI
Analysis of Classical Statistical Mechanics by Means of Collective Coordinates
TL;DR: In this paper, the three-dimensional classical many-body system is approximated by the use of collective coordinates, through the assumed knowledge of two-body correlation functions, and a self-consistent formulation is available for determining the correlation function.
Journal ArticleDOI
Statistical Mechanics of Rigid Spheres
TL;DR: In this article, an equilibrium theory of rigid sphere fluids is developed based on the properties of a new distribution function G(r) which measures the density of rigid spheres molecules in contact with a rigid sphere solute of arbitrary size.
Journal ArticleDOI
Equation of State for Hard Spheres
TL;DR: In this paper, simple and exact expressions for the compressibility and pressure equations of state predicted by the Percus-Yevick equation for hard spheres were found for Wainwright and Alder.
Journal ArticleDOI
Studies in Molecular Dynamics. II. Behavior of a Small Number of Elastic Spheres
B. J. Alder,T. E. Wainwright +1 more
TL;DR: In this article, the equation of state and the collision rate for systems ranging in size from four to 500 particles are described, and the dependence of the results on the number of particles is qualitatively discussed and insight is gained as to what is required of more accurate analytical theories.
Journal ArticleDOI
Fifth and Sixth Virial Coefficients for Hard Spheres and Hard Disks
Francis H. Ree,William G. Hoover +1 more
TL;DR: In this paper, the modified stars contain both Mayer f functions and f functions (f≡f+1) and it is shown that the number of topologically distinguishable graphs occurring in the new expressions is about half the number required in previous expressions.