The Enskog repeated ring equations for tagged molecule motion and variational solutions |
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| Authors: | R. G. Cole T. Keyes |
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| Affiliation: | (1) Department of Chemistry, Boston University, 02215 Boston, Massachusetts;(2) Present address: AT&T Bell Laboratories, 07733 Holmdel, New Jersey |
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| Abstract: | The Enskog repeated ring equations (ERRE) for tagged molecule motion are derived from the BBGKY hierarchy. The hierarchical deviation demonstrates the problem associated with using naive truncations for complex fluid systems. A moment-variational solution is suggested for the ERRE. The moment-variational method is applied to the ERRE for the two- and three-dimensional overlapping Lorentz gas (LG). Both self-consistent and non-self-consistent equations for the diffusion constant are solved. The results compare favorably with previous calculations and molecular dynamics (MD). |
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| Keywords: | Kinetic theory Enskog repeated ring equation polyatomic liquids variational principles Lorentz model kinetic boundary layers |
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