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Investigating the Calculation of Rotational Viscosity of the Mixture Comprising Different Kinds of Liquid Crystals: Molecular Dynamics Computer Simulation Approach
Author(s) -
Kim Jinsoo,
Jamil Muhammad,
Jung Jae Eun,
Jang Jae Eun,
Farzana Ahmad,
Jin Woo Lee,
Sang Woo Park,
Woo MinKyung,
Kwak Ji Yeon,
Jeon YoungJae
Publication year - 2011
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.201190059
Subject(s) - molecular dynamics , chemistry , viscosity , liquid crystal , rotational viscosity , brownian dynamics , statistical physics , intermolecular force , force field (fiction) , field (mathematics) , rotational dynamics , thermodynamics , chemical physics , brownian motion , computational chemistry , molecule , condensed matter physics , physics , organic chemistry , mathematics , quantum mechanics , pure mathematics
Abstract Molecular dynamics (MD) computer simulation techniques, as a powerful tool commonly utilized by the liquid crystal display (LCD) community, usually are employed for computing the equilibrium and transport properties of a classical many body system, since they are very similar to real experiments in many respects. In this paper we present molecular dynamics computer simulation results taken for a mixture of the two different kinds of nematic liquid crystals (LCs). We calculated rotational viscosity from Brownian behavior with friction of the mean director of the mixture comprising pentylcyanobiphenol (5CB) and decylcyanobiphenol (10CB) by using molecular dynamics computer simulation, where intermolecular potential parameter is Generalized AMBER force field (GAFF). Our computed results show a good agreement with the experimental results.