کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1590712 | 1515442 | 2006 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Study of molecular ordering in liquid crystals: EBBA
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Study of molecular ordering in liquid crystals: EBBA Study of molecular ordering in liquid crystals: EBBA](/preview/png/1590712.png)
چکیده انگلیسی
Mesomorphism is primarily governed by the nature and strength of molecular interactions acting between sides, planes and ends of a pair of liquid crystal molecules. In view of this fact, intermolecular interactions between a pair of molecules of a nematic liquid crystal namely, p-ethoxybenzylidene-p-n-butylaniline (EBBA) have been evaluated using Rayleigh-Schrodinger second order perturbation theory along with multicentred-multipole expansion technique. An all valence electron method, CNDO/2 has been employed to compute net atomic charge and corresponding dipole components located at each atomic centre of the molecule. Using the results of stacking and in-plane interaction energy studies, probability calculations at varied angular and positional configurations in a molecular pair of EBBA have been carried out using Maxwell-Boltzmann formula. Results have been used to elucidate the liquid crystalline behaviour of the EBBA molecule.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Progress in Crystal Growth and Characterization of Materials - Volume 52, Issues 1â2, MarchâJune 2006, Pages 114-124
Journal: Progress in Crystal Growth and Characterization of Materials - Volume 52, Issues 1â2, MarchâJune 2006, Pages 114-124
نویسندگان
M. Mishra, M.K. Dwivedi, R. Shukla, S.N. Tiwari,