| Calculating the dielectric anisotropy of nematic liquid crystals: a reinvestigation of the Maier——Meier
theory |
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| 引用本文： | 张然,何军,彭增辉,宣丽.Calculating the dielectric anisotropy of nematic liquid crystals: a reinvestigation of the Maier——Meier
theory[J].中国物理 B,2009,18(7):2885-2892. |
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| 作者姓名： | 张然 何军 彭增辉 宣丽 |
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| 作者单位： | (1)State Key Laboratory of Applied Optics,
Changchun Institute of Optics, Fine Mechanics and Physics,
Chinese
Academy of
Sciences, Changchun 130033, China; (2)State Key Laboratory of Applied Optics,
Changchun Institute of Optics, Fine Mechanics and Physics,
Chinese
Academy of
Sciences, Changchun 130033, China;Graduate School of Chinese Academy of Sciences, Beijing
100039, China |
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| 基金项目： | Project supported by
the National Natural Science Foundation of China (Grant Nos 60578035
and 60736042) and the Science Foundation
of Jilin Province of China (Grant Nos 20050520 and 20050321-2). |
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| 摘 要： | This paper investigates the average dielectric permittivity
(\overline ε ) in the Maier--Meier theory for calculating
the dielectric anisotropy (Δε) of nematic liquid
crystals. For the reason that \overline 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 \overline 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 Δε 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.
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| 关 键 词： | dielectric anisotropy molecule modeling semi-empirical quantum chemistry nematic liquid crystals |
| 收稿时间： | 2008-10-19 |
Calculating the dielectric anisotropy of nematic liquid crystals: a reinvestigation of the Maier--Meier
theory |
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| Zhang Ran,He Jun,Peng Zeng-Hui and Xuan Li.Calculating the dielectric anisotropy of nematic liquid crystals: a reinvestigation of the Maier--Meier
theory[J].Chinese Physics B,2009,18(7):2885-2892. |
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| Authors: | Zhang Ran He Jun Peng Zeng-Hui and Xuan Li |
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| Affiliation: | State Key Laboratory of Applied Optics, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033, China; Graduate School of Chinese Academy of Sciences, Beijing 100039, China |
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| Abstract: | This paper investigates the average dielectric permittivity
($\overline \varepsilon )$ in the Maier--Meier theory for calculating
the dielectric anisotropy ($\Delta \varepsilon )$ of nematic liquid
crystals. For the reason that $\overline \varepsilon $ 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 $\overline \varepsilon $ 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 $\Delta \varepsilon $ 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. |
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| Keywords: | dielectric anisotropy molecule
modeling semi-empirical quantum chemistry nematic liquid crystals |
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