Calculation of the rotational viscosity of a nematic liquid crystal

Cheung, David and Clark, S.J. and Wilson, Mark R. (2002) Calculation of the rotational viscosity of a nematic liquid crystal. Chemical Physics Letters, 356 (1-2). pp. 140-146. ISSN 0009-2614

Full text not available in this repository.Request a copy from the Strathclyde author

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.