نتایج جستجو برای: second virial coefficients

تعداد نتایج: 712289  

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...

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 sec...

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 ...

Journal: :JOURNAL OF CHEMICAL ENGINEERING OF JAPAN 1987

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...

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