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.
LanguageEnglish
Pages140-146
Number of pages7
JournalChemical Physics Letters
Volume356
Issue number1-2
DOIs
Publication statusPublished - 15 Apr 2002

Fingerprint

Nematic liquid crystals
data simulation
angular velocity
diffusion coefficient
liquid crystals
Viscosity
viscosity
molecular dynamics
Liquid Crystals
Angular velocity
Molecular dynamics
molecules
Molecules
temperature
Temperature
benzonitrile

Keywords

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

Cite this

Cheung, David ; Clark, S.J. ; Wilson, Mark R. / Calculation of the rotational viscosity of a nematic liquid crystal. In: Chemical Physics Letters. 2002 ; Vol. 356, No. 1-2. pp. 140-146.
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Calculation of the rotational viscosity of a nematic liquid crystal. / Cheung, David; Clark, S.J.; Wilson, Mark R.

In: Chemical Physics Letters, Vol. 356, No. 1-2, 15.04.2002, p. 140-146.

Research output: Contribution to journalArticle

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AU - Cheung, David

AU - Clark, S.J.

AU - Wilson, Mark R.

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N2 - 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.

AB - 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.

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KW - rotational viscosity

KW - rotational viscosity measurements

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DO - 10.1016/S0009-2614(02)00380-9

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T2 - Chemical Physics Letters

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