28Feb 2014

Molecular Dynamics of Mesogenic p-n-alkoxy benzoic acid

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The article presents novel attempt on the molecular moment of liquid crystalline molecule that arises due to orientation and position. In particular orientation originated from rod like that exhibiting nematic phases due to its symmetrical structure where the centre of gravity of centre of molecule coincides unlike the positional order exhibits semctic C phase. Homologous series of molecule the p-n-alkyloxy benzoic acid with carbon or alkyl chain length extending from propyloxy to dodecyloxy is considered. The molecular dynamics is studied in interpretation of its rotational kinetic energy, thermal energy, Moment of inertia, critical velocity and its dipole moment. Studies reveal that the moment of Inertia varies inversely with critical velocity that conserves angular momentum and further observed that polarity is unaffected with increase in chain length. Results of calculations using this type of modeling reveal interesting features that are in agreement with experimental results of concerned systems.

[S.Deepthi, Ch. Ravi Shankar Kumar (2014); Molecular Dynamics of Mesogenic p-n-alkoxy benzoic acid Int. J. of Adv. Res. 2 (2). 0] (ISSN 2320-5407). www.journalijar.com

Ch. Ravi Shankar Kumar

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