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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Calculation of phase diagrams for aqueous protein solutions
TL;DR: In this article, the authors developed a statistical model for protein crystallization and calculated the entropic term from experimental crystallographic data for lysozyme and showed that the empirical correlation of the second virial coefficient with protein solubility corresponds to 6−8 contacts per protein molecule in the crystal.
Journal ArticleDOI
Theory of drop size and phase continuity in microemulsions I. Bending effects with uncharged surfactants
TL;DR: In this article, a model of the hydrocarbon region of the surfactant film at the surface of each drop was developed using the methods of statistical thermodynamics to predict the drop size and solubilization in microemulsions containing uncharged surfactants.
Journal ArticleDOI
Theory and simulation of hard‐chain mixtures: Equations of state, mixing properties, and density profiles near hard walls
Kevin G. Honnell,Carol K. Hall +1 more
TL;DR: In this article, a combination of theoretical modeling and computer simulation is used to study the equation of state of binary mixtures of hard chains, where each chain is modeled by a series of freely jointed, tangent, hard spheres.
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Correlation of high-pressure diffusion and viscosity coefficients for n -alkanes
J. H. Dymond,M. A. Awan +1 more
TL;DR: In this article, self-diffusion coefficient and viscosity coefficient data for liquid n-alkanes over the whole pressure range at different temperatures are satisfactorily correlated simultaneously by a method which is just an extension of that previously used to apply the smooth hard-sphere theory of transport properties to individual transport coefficients.
Journal ArticleDOI
The protein-water phase diagram and the growth of protein crystals from aqueous solution
TL;DR: In this article, the phase diagram of a protein−water system is described with a simple model with parameters for the interaction between protein molecules in the liquid and in the solid phase.
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.