Rotational viscosity in a nematic liquid crystal: A theoretical treatment and molecular dynamics simulation

A. V. Zakharov, A. V. Komolkin, and A. Maliniak
Phys. Rev. E 59, 6802 – Published 1 June 1999
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Abstract

The rotational viscosity coefficient γ1 of 4n-pentyl-4-cyanobiphenyl in the nematic phase is investigated by combination of existing statistical-mechanical approaches (SMAs), based on a rotational diffusion model and computer simulation technique. The SMAs rest on a model in which it is assumed that the reorientation of an individual molecule is a stochastic Brownian motion in a certain potential of mean torque. According to the SMAs, γ1 is found to be a function of temperature, density, rotational diffusion coefficient, and a number of order parameters (OPs). The diffusion coefficient and the OPs were obtained from an analysis of a trajectory generated in a molecular dynamics simulation using realistic atom-atom interactions. In addition, a set of experimentally determined diffusion coefficients and OPs was used for evaluation of γ1. Reasonable agreement between calculated and experimental values of γ1 is obtained. It is shown that near the clearing point γ1 is proportional to P22, where P2 is the second-rank OP. This limiting value of γ1 is in agreement with mean-field theory.

  • Received 3 November 1998

DOI:https://doi.org/10.1103/PhysRevE.59.6802

©1999 American Physical Society

Authors & Affiliations

A. V. Zakharov*

  • Division of Physical Chemistry, Arrhenius Laboratory, University of Stockholm, S-10691 Stockholm, Sweden

A. V. Komolkin

  • Physics Institute, St. Petersburg State University, 198904 St. Petersburg, Russia

A. Maliniak

  • Division of Physical Chemistry, Arrhenius Laboratory, University of Stockholm, S-10691 Stockholm, Sweden

  • *Author to whom correspondence should be addressed. Permanent address: St. Petersburg Institute for Machine Sciences, The Russian Academy of Sciences, St. Petersburg 199178, Russia. Electronic address: avz@physc.su.se
  • Electronic address: arnold@physc.su.se

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Vol. 59, Iss. 6 — June 1999

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