Calculation of the rotational viscosity of a nematic liquid crystal

David Cheung, S.J. Clark, Mark R. Wilson

Research output: Contribution to journalArticle

39 Citations (Scopus)

Abstract

Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-(trans-4-n-pentylcyclohexyl)benzonitrile (PCH5) using a fully atomistic model. Simulation data has been obtained for a series of temperatures in the nematic phase. The rotational viscosity co-efficient, γ1, has been calculated using the angular velocity correlation function of the nematic director, n, the mean squared diffusion of n and statistical mechanical methods based on the rotational diffusion co-efficient. We find good agreement between the first two methods and experimental values.
Original languageEnglish
Pages (from-to)140-146
Number of pages7
JournalChemical Physics Letters
Volume356
Issue number1-2
DOIs
Publication statusPublished - 15 Apr 2002

Keywords

  • molecular dynamics
  • rotational viscosity
  • rotational viscosity measurements
  • liquid crystal

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