Publication details for Professor Stewart ClarkCheung, D.L., Clark, S.J. & Wilson, M.R. (2002). Calculation of the rotational viscosity of a nematic liquid crystal. Chemical Physics Letters 356(1-2): 140-146.
- Publication type: Journal Article
- ISSN/ISBN: 0009-2614
- DOI: 10.1016/S0009-2614(02)00380-9
- Further publication details on publisher web site
Author(s) from Durham
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.