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
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Studies of granular shear flows Wall slip velocities, ‘layering’ and self-diffusion
Stuart B. Savage,R. Dai +1 more
TL;DR: In this paper, the authors examined some features of molecular dynamics type simulations of granular shear flows of smooth, inelastic, spherical particles between two relatively closely spaced rough walls.
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Phase equilibria in mixtures of fatty oils and derivatives with near critical fluids using the GC-EOS model
TL;DR: In this paper, the Group Contribution Equation of State (GC-EOS) was applied to model high-pressure phase equilibria in mixtures of fatty oils and acid alkyl esters with supercritical fluids.
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Effect of macromolecular crowding on reaction rates: a computational and theoretical study.
Jun Soo Kim,Arun Yethiraj +1 more
TL;DR: In this article, the effect of macromolecular crowding on the rates of association reactions is investigated using theory and computer simulations, and it is shown that the dependence of the reaction rate on the volume fraction of crowding agents varies with the reaction probability.
Journal ArticleDOI
Density profiles of concentrated colloidal suspensions in sedimentation equilibrium
TL;DR: In this paper, a density functional theory for inhomogeneous fluids is studied in the context of concentrated colloidal suspensions, and the shape of the density profiles is very sensitive to the nature of the interactions between colloidal particles, allowing a direct test of a simple inversion procedure, which extracts the osmotic equation of state of colloidal suspension from a measurement of their density profile.
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Contribution of covalent bond force to pressure in polymer melts
J. Gao,J. H. Weiner +1 more
TL;DR: In this article, molecular dynamics simulations of the freely jointed effective hard sphere model of a polymer melt are performed, with continuous covalent and noncovalent potentials employed for computational convenience.
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.
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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.