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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Osmotic pressures of aqueous bovine serum albumin solutions at high ionic strength
TL;DR: In this paper, the authors compared results calculated from two van der Waals-type models using a potential of mean force including hard-sphere and double-layer repulsions, and van derWaals attraction.
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Hybrid method coupling molecular dynamics and Monte Carlo simulations to study the properties of gases in microchannels and nanochannels.
SV Silvia Nedea,Arjan J. H. Frijns,van Aa Anton Steenhoven,Albert J. Markvoort,Peter A. J. Hilbers +4 more
TL;DR: The hybrid MD-MC simulation method is validated by comparing the results for density and temperature profiles with those of pure MD and pure MC simulations, and the hybrid method very accurately simulates the interface between the MD and MC simulation domains.
Journal ArticleDOI
Calculation of y(r) inside the core for hard discs and spheres
TL;DR: In this paper, a simple method was used to calculate a set of correlation functions P j(r) which give the probability that a point at distance r from a sphere centre has j, and only j, sphere centres within one diameter, σ.
Journal ArticleDOI
NMR study of compressed supercritical water
W. J. Lamb,J. Jonas +1 more
TL;DR: In this article, the authors focus on the supercritical region (tc=374°C) where the spin-rotation interaction mechanism dominates the observed proton relaxation rate. But the analysis of the experimental data involves a number of simplifying assumptions discussed in detail.
Journal Article
The Three-Dimensional "Mercedes Benz" Model of Water †
TL;DR: In this article, a 3D MB model of water is presented, where the hydrogen bonding structure is tetrahedral and water molecules interact through Lennard-Jones attractions and repulsions, and through Gaussian orientation dependent hydrogen bonding terms.
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.