TY - JOUR
T1 - Investigating the calculation of rotational viscosity of the mixture comprising different kinds of liquid crystals
T2 - Molecular dynamics computer simulation approach
AU - Kim, Jinsoo
AU - Jamil, Muhammad
AU - Jung, Jae Eun
AU - Jang, Jae Eun
AU - Farzana, Ahmad
AU - Jin, Woo Lee
AU - Sang, Woo Park
AU - Woo, Min Kyung
AU - Kwak, Ji Yeon
AU - Jeon, Young Jae
PY - 2011/1
Y1 - 2011/1
N2 - 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. 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)
AB - 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. 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)
KW - ab initio calculations
KW - computer simulation
KW - liquid crystal mixture
KW - molecular dynamics simulation
KW - nematic liquid crystals
KW - rotational viscosity generalized AMBER force field (GAFF)
UR - http://www.scopus.com/inward/record.url?scp=79951473358&partnerID=8YFLogxK
U2 - 10.1002/cjoc.201190059
DO - 10.1002/cjoc.201190059
M3 - Article
AN - SCOPUS:79951473358
SN - 1001-604X
VL - 29
SP - 48
EP - 52
JO - Chinese Journal of Chemistry
JF - Chinese Journal of Chemistry
IS - 1
ER -