Calculation of the rotational viscosity of a nematic liquid crystal.

Cheung, D.L.; Clark, S.J.; Wilson, M.R.

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.

Citation

Cheung, D., Clark, S., & Wilson, M. (2002). Calculation of the rotational viscosity of a nematic liquid crystal. Chemical Physics Letters, 356(1-2), 140-146. https://doi.org/10.1016/s0009-2614%2802%2900380-9

• Journal Article Type: Article
• Publication Date: 2002-04
• Journal: Chemical Physics Letters
• Print ISSN: 0009-2614
• Electronic ISSN: 1873-4448
• Publisher: Elsevier
• Peer Reviewed: Peer Reviewed
• Volume: 356
• Issue: 1-2
• Pages: 140-146
• DOI: https://doi.org/10.1016/s0009-2614%2802%2900380-9
• Public URL: https://durham-repository.worktribe.com/output/1603236