Investigating the calculation of rotational viscosity of the mixture comprising different kinds of liquid crystals: Molecular dynamics computer simulation approach

Jinsoo Kim, Muhammad Jamil, Jae Eun Jung, Jae Eun Jang, Ahmad Farzana, Woo Lee Jin, Woo Park Sang, Min Kyung Woo, Ji Yeon Kwak, Young Jae Jeon

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

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. 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)

Original languageEnglish
Pages (from-to)48-52
Number of pages5
JournalChinese Journal of Chemistry
Volume29
Issue number1
DOIs
StatePublished - Jan 2011

Keywords

  • ab initio calculations
  • computer simulation
  • liquid crystal mixture
  • molecular dynamics simulation
  • nematic liquid crystals
  • rotational viscosity generalized AMBER force field (GAFF)

Fingerprint

Dive into the research topics of 'Investigating the calculation of rotational viscosity of the mixture comprising different kinds of liquid crystals: Molecular dynamics computer simulation approach'. Together they form a unique fingerprint.

Cite this