Rotational viscosity of a liquid crystal mixture: a fully atomistic molecular dynamics study
Zhang Ran(张然)a)b), Peng Zeng-Hui(彭增辉)a), Liu Yong-Gang(刘永刚)a), Zheng Zhi-Gang(郑致刚)a), and Xuan Li(宣丽)a)†
a State Key Laboratory of Applied Optics, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033, China; b Graduate School of the Chinese Academy of Sciences, Beijing 100049, China
Abstract Fully atomistic molecular dynamics (MD) simulations at 293, 303 and 313 K have been performed for the four-component liquid crystal mixture, E7, using the software package Material Studio. Order parameters and orientational time correlation functions (TCFs) were calculated from MD trajectories. The rotational viscosity coefficients (RVCs) of the mixture were calculated using the Nemtsov--Zakharov and Fialkowski methods based on statistical-mechanical approaches. Temperature dependences of RVC and density were discussed in detail. Reasonable agreement between the simulated and experimental values was found.
Received: 18 March 2009
Revised: 27 May 2009
Accepted manuscript online:
PACS:
66.20.-d
(Viscosity of liquids; diffusive momentum transport)
Fund: Project supported by the National
Natural Science Foundation of China (Grant Nos 60578035 and
60736042).
Cite this article:
Zhang Ran(张然), Peng Zeng-Hui(彭增辉), Liu Yong-Gang(刘永刚), Zheng Zhi-Gang(郑致刚), and Xuan Li(宣丽) Rotational viscosity of a liquid crystal mixture: a fully atomistic molecular dynamics study 2009 Chin. Phys. B 18 4380
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