نتایج جستجو برای: virial coefficients

تعداد نتایج: 107507  

2011
Katherine R. S. Shaul Andrew J. Schultz David A. Kofke

We present virial coefficients of up to fourth order computed by Mayer-sampling Monte Carlo for three pair potentials of methanol: one parameterized to reproduce vapourliquid coexistence and two others parameterized to reproduce a quantum pair potential. We compare the resulting second and third virial coefficients to experimental values available in the literature. We further examine the viria...

Journal: :The Journal of chemical physics 2015
Mariano López de Haro Carlos F Tejero Andrés Santos Santos B Yuste Giacomo Fiumara Franz Saija

The problem of demixing in the Asakura-Oosawa colloid-polymer model is considered. The critical constants are computed using truncated virial expansions up to fifth order. While the exact analytical results for the second and third virial coefficients are known for any size ratio, analytical results for the fourth virial coefficient are provided here, and fifth virial coefficients are obtained ...

2003
L. G. MacDowell C. Menduiña C. Vega E. de Miguel

We present results for the fourth virial coefficient of quadrupolar Lennard-Jones diatomics for several quadrupole moments and elongations. The coefficients are employed to predict the critical properties from two different truncated virial series. The first one employs the exact second and third virial coefficients, calculated in our previous work. The second includes also the exact fourth vir...

2004
Stefan Mashkevich Jan Myrheim K̊are Olaussen

A path integral formalism for multispecies anyons is introduced, whereby partition functions are expressed in terms of generating functions of winding number probability distributions. In a certain approximation, the equation of state for exclusion statistics follows. By Monte Carlo simulation, third-order cluster and virial coefficients are found numerically.

Journal: :journal of sciences islamic republic of iran 0

a revised analysis of the effect of long-range nonspherical terms in the intermolecular potential on the second virial coefficient is presented with a preferred hartree-fock-dispersion functional (hfd-c) spherical core treatment of the integrations for small intermolecular distances. a set of modified numerical tables for the accurate calculation of the nonspherical contribution to the second v...

Journal: :journal of sciences islamic republic of iran 0

the second virial coefficients are given as a spherical-core contribution plus a series of nonspherical perturbation terms. a revised analysis is given of the effect of long-range nonspherical terms in the intermolecular potential on the second virial coefficient given by a preferred hfdidl spherical core treatment of the integration for small intermolecular distances. this effect is considered...

Journal: :The Journal of chemical physics 2011
Miguel Angel G Maestre Andrés Santos Miguel Robles Mariano López de Haro

The question of whether the known virial coefficients are enough to determine the packing fraction η(∞) at which the fluid equation of state of a hard-sphere fluid diverges is addressed. It is found that the information derived from the direct Padé approximants to the compressibility factor constructed with the virial coefficients is inconclusive. An alternative approach is proposed which makes...

In this work an analytical equation of state has been employed to calculate the PVT properties ofternary refrigerant mixtures. The theoretical EoS is that of Ihm, Song and Mason, which is based onstatistical-mechanical perturbation theory, and the two constants are enthalpy of vaporization ΔHvapand molar density ρnb, both at the normal boiling temperature. The following three temperaturedepende...

1988
ALI MANSOORI

Hamad, E.Z., Mansoori, G.A. and Hall, K.R., 1988. Statistical mechanical test of MHEMHS model of the interaction third virial coefficients. Fluid Phase Equilibria, 43: 205-212. The proposed MHEMHS model for the interaction third virial coefficients by McGregor et al. is tested using statistical mechanical expressions for these coefficients. The reasons for its accuracy in different ranges of te...

Journal: :iranian journal of chemistry and chemical engineering (ijcce) 2010
rasool mohammadikhah hossein abolghasemi ali mohebbi,

in this study for the first time a new description of compressibility factor is rendered based on the virial expansion. the compressibility factor as a function of m-factor is qualitatively and quantitatively expressed. at first, we present how may the third, fourth and higher order virial coefficients be logically ignored in order to simplify the virial equation. the results show, when the com...

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