The second virial coefficient of the dipolar two center Lennard-Jones model

文献情報

出版日 2002-05-17

DOI 10.1039/B200781A

インパクトファクター 3.676

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要旨

The second virial coefficients of two-center Lennard-Jones molecules which contain an embedded point dipole have been determined via numerical integration. A number of models with different reduced bond lengths and dipole moments have been considered. For each model the second virial coefficient has been calculated for a number of temperatures. It is shown that the presence of the dipole moment significantly raises the Boyle temperature and, for a given temperature, reduces the value of the second virial coefficient with respect to the non-polar model. It is shown that the model can describe correctly the second virial coefficient of some refrigerants.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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