نتایج جستجو برای: second virial coefficients

تعداد نتایج: 712289  

Journal: :The Journal of chemical physics 2011
Giovanni Garberoglio Allan H Harvey

We derive path-integral expressions for the second and third virial coefficients of monatomic quantum gases. Unlike previous work that considered only Boltzmann statistics, we include exchange effects (Bose-Einstein or Fermi-Dirac statistics). We use state-of-the-art pair and three-body potentials to calculate the third virial coefficient of (3)He and (4)He in the temperature range 2.6-24.5561 ...

Ali Mohebbi, Hossein Abolghasemi Rasool Mohammadikhah,

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, wh...

2017
N. Clarke T. Mcleish

We study a binary mixture of long thin rodlike particles using an idealised model in which the rods have restricted orientations and the two types of rod differ only in length. Assuming a hard core potential the virial coefficients up to fourth order are calculated exactly. The free energy is minimized with respect to the orientational distribution functions to give the phase (isotropic or nema...

2009
Jayant K. Singh

We used Mayer sampling technique—a method based on free energy perturbation, to calculate virial coefficients B2–B6 for hard-core Yukawa fluids with interaction range parameter, =1.8, 3.0, 4.0, 5.0, 8.0, 9.0, and 10. We used these coefficients in the virial equation of state (VEOS) to obtain compressibility vailable online 28 June 2009

1999
John G. Loeser Zheng Zhen Dudley R. Herschbach

We examine the dependence on spatial dimension D of the Mayer cluster integrals that determine the virial coefficients B, for a fluid of rigid hyperspheres. The integrals vary smoothly with D, and can be characterized analytically in both the low-D and high-D limits. Dimensional interpolation (DI) allows one to evaluate individual Mayer cluster integrals at D = 2 and D = 3 to within about 1%. T...

Journal: :The Journal of chemical physics 2009
Andrew J Schultz David A Kofke

We report results of calculations of the second through sixth virial coefficients for four prototype Lennard-Jones (LJ) mixtures that have been the subject of previous studies in the literature. Values are reported for temperatures ranging from T=0.6 to T=10.0, where here the temperature is given units of the LJ energy parameter of one of the components. Thermodynamic stability of the mixtures ...

A three-parameter cubic equation of state has been proposed for predicting PVT of pure refrigerantssuch as R236ea, R236fa, R245fa, R245ca, R218, R227ea, and R717, from freezing point up to critical pointtemperature and pressures up 650 atm. We explore the theory of the equation of state from the view pointof Ihm–Song–Mason (ISM) equation of state, which has been derived on the basis of statisti...

2017
Robert Moszynski

The present status of symmetry-adapted perturbation theory applied to intermolecular potentials and interaction-induced properties is presented, and illustrated by means of applications to the calculations of the collisioninduced Raman spectra, rovibrational spectra of weakly bound dimers, and second (pressure and dielectric) virial coefficients.

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