Theoretical Prediction of the Thermodynamic Properties of Liquid-Crystalline p-Azoxyanisole

액정 p-Azoxyanisole의 열역학적 성질에 대한 이론적인 예측

  • Youngkyu Do (Department of Chemical Science, Korea Advanced Institute of Science, Center for Theoretical Physics and Chemistry) ;
  • Mu Shik Jhon (Department of Chemical Science, Korea Advanced Institute of Science, Center for Theoretical Physics and Chemistry) ;
  • Taikyue Ree (Department of Chemical Science, Korea Advanced Institute of Science, Center for Theoretical Physics and Chemistry)
  • 도영규 (한국과학원 화학 및 화학공학과 이론 물리 및 화학 센타) ;
  • 전무식 (한국과학원 화학 및 화학공학과 이론 물리 및 화학 센타) ;
  • 이태규 (한국과학원 화학 및 화학공학과 이론 물리 및 화학 센타)
  • Published : 1976.04.30


The significant structure theory of liquids and the Bragg-Williams approximation of phase transition theory have been applied to the calculation of the thermodynamic properties of p-azoxyanisole which exhibits a liquid crystal phase of the nematic type. The isotropic phase was treated as a normal liquid; and for the nematic phase, in addition to its liquidity, the effect due to the arrangement of molecular-dipoles was considered. The liquidity of the p-azoxyanisole was described by the significant structure theory of liquids, and the Bragg-Williams approximation was used to consider the effect due to the arrangement of molecular-dipoles. The molar volume, vapor pressure, heat capacity at constant pressure, thermal expansion coefficient, compressibility, entropy and enthalpy change at the nematic-isotropic phase transition point, absolute entropy, and absolute Helmholtz free energy were calculated over the temperature range of the nematic and isotropic phases. The calculated results of the thermodynamic properties were compared with the experimental data.



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