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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 100, 2002 - Issue 21
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RESEARCH NOTE

Rotational viscosity of uniaxial molecules

Pages 3479-3482 | Received 07 May 2002, Accepted 30 May 2002, Published online: 16 Nov 2009
 

Abstract

Non-equilibrium molecular dynamics (NEMD) are used to calculate the vortex or rotational viscosity of fluids composed of uniaxial molecules. It is shown that the NEMD homogeneous spin flow algorithm proposed by Edberg, R., Evans, D. J., and Moriss, G. P., 1987, Molec. Phys., 62, 1357 considerably underestimates the vortex viscosity. A modified version of this algorithm is proposed and applied to liquid chlorine and nitrogen. The results are in good agreement with previous work using equilibrium or other NEMD methods, and also show that at high spin rates the vortex viscosity decreases with increase in magnitude of the external torque used to drive the spin flow.

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