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Thermodynamic scaling of dynamic properties of liquid crystals: Verifying the scaling parameters using a molecular model

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10.1063/1.4818418

### Abstract

The thermodynamic scaling of molecular dynamic properties of rotation and thermodynamic parameters in a nematic phase was investigated by a molecular dynamic simulation using the Gay–Berne potential. A master curve for the relaxation time of flip–flop motion was obtained using thermodynamic scaling, and the dynamic property could be solely expressed as a function of , where T and V are the temperature and volume, respectively. The scaling parameter γ τ was in excellent agreement with the thermodynamic parameter Γ, which is the logarithm of the slope of a line plotted for the temperature and volume at constant P 2. This line was fairly linear, and as good as the line for p-azoxyanisole or using the highly ordered small cluster model. The equivalence relation between Γ and γ τ was compared with results obtained from the highly ordered small cluster model. The possibility of adapting the molecular model for the thermodynamic scaling of other dynamic rotational properties was also explored. The rotational diffusion constant and rotational viscosity coefficients, which were calculated using established theoretical and experimental expressions, were rescaled onto master curves with the same scaling parameters. The simulation illustrates the universal nature of the equivalence relation for liquid crystals.

© 2013 AIP Publishing LLC

Received 07 June 2013
Accepted 31 July 2013
Published online 23 August 2013

Article outline:

I. INTRODUCTION

II. METHODS

III. RESULTS AND DISCUSSION

A. Fundamental property: Pressure dependence of the thermodynamic property for the model system

B. Thermodynamic parameter Γ

C. Thermodynamic scaling parameter, *γ* _{ x }, for dynamic properties

1. Relaxation time for longitudinal molecular rotation, *τ* _{1}

2. Rotational diffusion constant and Leslie rotational viscosity coefficients *γ* _{1} and *γ* _{2}

IV. CONCLUSIONS

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2013-08-23

2014-04-16

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