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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Chemical potentials based on the molecular distribution functions. An exact diagrammatical representation and the star function
TL;DR: In this paper, a closed form for the chemical potentials of a fluid is presented that involves only integrals of the molecular distribution functions at the given state, (e.g., temperature and density). Thus no Kirkwood charging or thermodynamic integration is needed.
Journal ArticleDOI
Solubility Parameters of Nonelectrolyte Organic Compounds: Determination Using Quantitative Structure–Property Relationship Strategy
Farhad Gharagheizi,Ali Eslamimanesh,Farhad Farjood,Amir H. Mohammadi,Amir H. Mohammadi,Dominique Richon +5 more
TL;DR: In this paper, the quantitative structure-property relationship (QSPR) method is applied to develop three models for determination of the solubility parameters of pure nonelectrolyte organic compounds at 298.15 K and atmospheric pressure.
Journal ArticleDOI
Equilibrium theories of simple liquids
TL;DR: In this paper, a review of the theory of equilibrium properties of simple classical fluids is presented, with particular attention devoted to the extraction of the intermolecular forces from a given experimental data on the structure and thermodynamics of fluids.
Journal ArticleDOI
Micellisation of diblock copoly(oxyethylene/oxybutylene) in aqueous solution
Alison D. Bedells,Rana M. Arafeh,Zhuo Yang,David Attwood,Frank Heatley,John Christopher Padget,Colin Price,Colin Booth +7 more
TL;DR: In this article, the gelation of concentrated aqueous micellar solutions of three diblock copoly(oxybutylene/oxyethylene)s (E50B13, E49B8 and E24B10, where E represents oxyethylene and B represents oxybutylene) was investigated.
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Transport coefficients of hard sphere fluids
TL;DR: In this article, the self-diffusion coefficient, the shear viscosity, the bulk viscosity, and thermal conductivity of the hard sphere fluid were calculated using molecular dynamics simulations.
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.