环己烷甲酸晶体结构及生长动力学

摘要

通过熔融结晶得到高质量环己烷甲酸单晶，并首次报道采用X射线单晶衍射解析所得CCA单晶结构。环己烷甲酸晶体为单斜晶系，空间群为P2₁/c，晶胞参数为a=1.19113 nm，b=1.07421 nm，c=1.10733 nm，β=94.72°，同时利用Material Studio软件预测其晶习。利用DSC测定不同降温速率下的出晶温度与诱导期。通过热台显微镜对环己烷甲酸晶体生长进行了在线观测，对不同温度下的生长速率进行了研究，发现主要显露晶面的生长速率与过冷度为指数关系。

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	杨丽静
	谢闯

关键词：环己烷甲酸；晶体结构；晶习预测；晶体生长动力学

Abstract：

High quality single crystals of cyclohexanecarboxylic acid (CCA) were obtained by melt crystallization. The crystal structure of CCA crystal determined by single-crystal X-ray diffraction is first reported here. It crystalizes in the monoclinic system, space group P2₁/c with cell parameters a=1.19113 nm, b=1.07421 nm, c=1.10733 nm, and β=94.72°. The crystal habit of CCA crystal was predicted based on the crystal structure using Material Studio. The nucleation temperatures and induction period under various cooling rates were measured by DSC. Furthermore, the crystal growth of CCA crystal was determined online using hot-stage microscopy. The growth rates of main appeared crystal faces were measured under different temperature, indicating exponential dependency of growth kinetics on supercooling degree.

Keywords： cyclohexanecarboxylic acid； crystal structure； crystal habit predicting； crystallization growth kinetics

Received 2016-03-17;

Corresponding Authors: 谢闯,E-mail:acxie@tju.edu.cn。 Email: acxie@tju.edu.cn

About author: 杨丽静(1989-),女,硕士研究生,现从事工业结晶方面的研究。

引用本文:

杨丽静, 谢闯.环己烷甲酸晶体结构及生长动力学[J]. 化学工业与工程, 2018,35(3): 74-78

Yang Lijing, Xie Chuang.Crystal Structure and Crystallization Growth Kinetics of Cyclohexanecarboxylic Acid[J]. Chemcial Industry and Engineering, 2018,35(3): 74-78

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