摘要
This paper investigates the average dielectric permittivity （^-ε） in the Maier-Meier theory for calculating the dielectric anisotropy （△ε） of nematic liquid crystals.For the reason that ^-ε of nematics has the same expression as the dielectric permittivity of the isotropic state,the Onsager equation for isotropic dielectric was used to calculate it.The computed ^-ε shows reasonable agreement with the results of the numerical methods used in the literature.Molecular parameters,such as the polarizability and its anisotropy,the dipole moment and its angle with the molecular long axis,were taken from semi-empirical quantum chemistry （MOCPAC/AM1） modeling.The calculated values of △ε according to the Maier-Meier equation are in good agreement with the experimental results for the investigated compounds having different core structures and polar substituents.
This paper investigates the average dielectric permittivity （^-ε） in the Maier-Meier theory for calculating the dielectric anisotropy （△ε） of nematic liquid crystals.For the reason that ^-ε of nematics has the same expression as the dielectric permittivity of the isotropic state,the Onsager equation for isotropic dielectric was used to calculate it.The computed ^-ε shows reasonable agreement with the results of the numerical methods used in the literature.Molecular parameters,such as the polarizability and its anisotropy,the dipole moment and its angle with the molecular long axis,were taken from semi-empirical quantum chemistry （MOCPAC/AM1） modeling.The calculated values of △ε according to the Maier-Meier equation are in good agreement with the experimental results for the investigated compounds having different core structures and polar substituents.
基金
Project supported by the National Natural Science Foundation of China (Grant Nos 60578035 and 60736042)
the Science Foundation of Jilin Province of China (Grant Nos 20050520 and 20050321-2)
