Generalization of the Yvon-Born-Green theory to polyatomic liquids

I. Pardowitz

Physica A: Statistical Mechanics and its Applications, 1982, vol. 113, issue 3, 451-476

Abstract: The YBG-equation for the pair-correlation function is generalized to polyatomic fluids. The expansion of the interaction potential and of the correlation function with respect to angle-dependent basis functions as well as the connection of macroscopic quantities with the correlation function are treated in full generality for axisymmetric molecules. For the special case of Stockmayer potential, the generalized YBG-equation is solved numerically and the radial dependence of the various angular parts of the pair-correlation function is displayed graphically. Furthermore, the resulting equation of state and Kirkwood's g-factor are calculated.

Date: 1982
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:113:y:1982:i:3:p:451-476

DOI: 10.1016/0378-4371(82)90150-9

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