I-T-1 Shear-Induced Distortion of Intramolecular and Intermolecular Correlations in Liquids: Time-Dependent Density-Functional Theory

Shuhei YOSHIDA (Kyoto Univ.), Fumio HIRATA, and Toyonori MUNAKATA (Kyoto Univ.)

[Phys. Rev. E 54, 1763 (1996)]

Shear viscosity of molecular liquids is formulated and calculated with use of a time-dependent density functional theory. Allowing for nonrigidity of each molecule, we obtain shear-induced distortion of both intramolecular and intermolecular correlations self- consistently, witch makes it possible to calculated the shear viscosity. As a by-product we derive and solve a hypernetted-chain closure for equilibrium correlation in deformable molecular liquids.


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