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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 74, 1991 - Issue 4
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Original Articles

On the anisotropy of diffusion in nematic liquid crystals: test of a modified affine transformation model via molecular dynamics

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Pages 765-774 | Received 26 Mar 1991, Accepted 05 Jun 1991, Published online: 23 Aug 2006
 

Abstract

An affine transformation model is applied to the diffusion coefficients of perfectly aligned and partially aligned ellipsoidal particles. It is tested against molecular dynamics simulations of hard ellipsoids, free to translate and rotate, in the nematic liquid crystal phase. The theory explains the variation with order parameter of the anisotropy of the diffusion tensor, and approximately relates the average diffusion coefficient to that of an equivalent hard sphere fluid.

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