Preliminary Results from a Recalculation of the Monte Carlo Equation of State of Hard Spheres

1957 ◽  
Vol 27 (5) ◽  
pp. 1207-1208 ◽  
Author(s):  
W. W. Wood ◽  
J. D. Jacobson
Keyword(s):  
Monte Carlo ◽  
Equation Of State ◽  
Hard Spheres ◽  
Preliminary Results

Thermodynamic properties of pure hard sphere, spherocylinder and dumbell fluids

1979 ◽  
Vol 44 (12) ◽  
pp. 3555-3565 ◽  
Author(s):  
Ivo Nezbeda ◽  
Jan Pavlíček ◽  
Stanislav Labík
Keyword(s):  
Monte Carlo ◽  
Equation Of State ◽  
Thermodynamic Properties ◽  
Hard Sphere ◽  
Arbitrary Shape ◽  
Hard Spheres ◽  
Monte Carlo Data ◽  
Universal Equation

A universal equation of state for the fluid of hard bodies of an arbitrary shape is proposed. New Monte Carlo data of the hard sphere system are published and the existing pseudoexperimental data for hard spheres, spherocylindres and dumbells are critically reviewed.

Excess entropy of the systems of molecules differing in size and shape

1983 ◽  
Vol 48 (1) ◽  
pp. 192-198 ◽  
Author(s):  
Tomáš Boublík
Keyword(s):  
Equation Of State ◽  
Hard Spheres ◽  
Excess Entropy ◽  
Convex Bodies ◽  
Pure Substance ◽  
Liquid Equilibrium ◽  
Simple Rules ◽  
Different Shapes ◽  
The Mean

The excess entropy of mixing of mixtures of hard spheres and spherocylinders is determined from an equation of state of hard convex bodies. The obtained dependence of excess entropy on composition was used to find the accuracy of determining ΔSE from relations employed for the correlation and prediction of vapour-liquid equilibrium. Simple rules were proposed for establishing the mean parameter of nonsphericity for mixtures of hard bodies of different shapes allowing to describe the P-V-T behaviour of solutions in terms of the equation of state fo pure substance. The determination of ΔSE by means of these rules is discussed.

Critical consolute point in hard-sphere binary mixtures: Effect of the value of the eighth and higher virial coefficients on its location

2010 ◽  
Vol 75 (3) ◽  
pp. 359-369 ◽  
Author(s):  
Mariano López De Haro ◽  
Anatol Malijevský ◽  
Stanislav Labík
Keyword(s):  
Equation Of State ◽  
Binary Mixtures ◽  
Hard Sphere ◽  
Hard Spheres ◽  
Virial Coefficients ◽  
Fluid Mixture ◽  
Binary Fluid ◽  
Virial Series ◽  
Consolute Point ◽  
Critical Constants

Various truncations for the virial series of a binary fluid mixture of additive hard spheres are used to analyze the location of the critical consolute point of this system for different size asymmetries. The effect of uncertainties in the values of the eighth virial coefficients on the resulting critical constants is assessed. It is also shown that a replacement of the exact virial coefficients in lieu of the corresponding coefficients in the virial expansion of the analytical Boublík–Mansoori–Carnahan–Starling–Leland equation of state, which still leads to an analytical equation of state, may lead to a critical consolute point in the system.

“Sticky” Hard Spheres: Equation of State, Phase Diagram, and Metastable Gels

2007 ◽  
Vol 99 (9) ◽  
Author(s):  
Stefano Buzzaccaro ◽  
Roberto Rusconi ◽  
Roberto Piazza
Keyword(s):  
Phase Diagram ◽  
Equation Of State ◽  
Hard Spheres

The fifth virial coefficient of a fluid of hard spheres

1964 ◽  
Vol 279 (1377) ◽  
pp. 147-160 ◽  
Keyword(s):  
Monte Carlo ◽  
Numerical Integration ◽  
Virial Coefficient ◽  
Monte Carlo Calculation ◽  
Hard Spheres ◽  
Cluster Integrals ◽  
Different Types

The fifth virial coefficient of a fluid of hard spheres is a sum of 238 irreducible cluster integrals of 10 different types. The values of 5 of these types (152 integrals) are obtained analytically, the contributions of a further 4 types (85 integrals) are obtained by a com­bination of analytical and numerical integration, and 1 integral is calculated by an approximation. The result is E = (0·1093 ± 0·0007) b 4 , b = 2/3 πN A σ 3 , where σ is the diameter of a sphere. A combination of the values of 237 of the cluster integrals obtained in this paper with the value of one integral obtained independently by Katsura & Abe from a Monte Carlo calculation yields E = (0·1101 ± 0·0003) b 4 .

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