| Calculating the dielectric anisotropy of nematic liquid crystals: a reinvestigation of the Maier——Meiertheory |
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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——Meiertheory[J]. 中国物理 B, 2009, 18(7): 2885-2892. DOI: 10.1088/1674-1056/18/7/044 |
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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, ChineseAcademy ofSciences, Changchun 130033, China; (2)State Key Laboratory of Applied Optics,Changchun Institute of Optics, Fine Mechanics and Physics, ChineseAcademy ofSciences, Changchun 130033, China;Graduate School of Chinese Academy of Sciences, Beijing 100039, China |
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| 基金项目： | Project supported bythe National Natural Science Foundation of China (Grant Nos 60578035and 60736042) and the Science Foundationof 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 calculatingthe dielectric anisotropy (Δε) of nematic liquidcrystals. For the reason that overline ε of nematicshas the same expression as the dielectric permittivity of the isotropicstate, the Onsager equation for isotropic dielectric was used tocalculate it. The computed overline ε shows reasonableagreement with the results of the numerical methods used in theliterature. Molecular parameters, such as the polarizability and itsanisotropy, the dipole moment and its angle with the molecular longaxis, were taken from semi-empirical quantum chemistry (MOCPAC/AM1)modeling. The calculated values of Δε accordingto the Maier--Meier equation are in good agreement with the experimentalresults for the investigated compounds having different corestructures 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--Meiertheory |
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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--Meiertheory[J]. Chinese Physics B, 2009, 18(7): 2885-2892. DOI: 10.1088/1674-1056/18/7/044 |
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| Authors: | Zhang Ran He Jun Peng Zeng-Hui 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 calculatingthe dielectric anisotropy ($Delta varepsilon )$ of nematic liquidcrystals. For the reason that $overline varepsilon $ of nematicshas the same expression as the dielectric permittivity of the isotropicstate, the Onsager equation for isotropic dielectric was used tocalculate it. The computed $overline varepsilon $ shows reasonableagreement with the results of the numerical methods used in theliterature. Molecular parameters, such as the polarizability and itsanisotropy, the dipole moment and its angle with the molecular longaxis, were taken from semi-empirical quantum chemistry (MOCPAC/AM1)modeling. The calculated values of $Delta varepsilon $ accordingto the Maier--Meier equation are in good agreement with the experimentalresults for the investigated compounds having different corestructures and polar substituents. |
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| Keywords: | dielectric anisotropy moleculemodeling semi-empirical quantum chemistry nematic liquid crystals |
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