Rotational viscosity of a liquid crystal mixture: a fully atomistic molecular dynamics study

Fully atomistic molecular dynamics (MD) simulations at 293, 303 and313~K have been performed for the four-component liquid crystalmixture, E7, using the software package Material Studio. Orderparameters and orientational time correlation functions (TCFs) werecalculated from MD trajectories. The rotational viscositycoefficients (RVCs) of the mixture were calculated using theNemtsov--Zakharov and Fialkowski methods based onstatistical-mechanical approaches. Temperature dependences of RVCand density were discussed in detail. Reasonable agreement betweenthe simulated and experimental values was found.