文献类型：期刊文献

英文题名：Morphology and Growth Mechanism Study of Lithium Carbonate Synthesized by Reactive Crystallization

作者：Duan, Shaojun[1];Sun, Yuzhu[1];Song, Xingfu[1];Yu, Jianguo[1]

机构：[1]East China Univ Sci & Technol, Shanghai 200237, Peoples R China

年份：2018

卷号：53

期号：4

外文期刊名：CRYSTAL RESEARCH AND TECHNOLOGY

收录：;EI(收录号：20181304940677);WOS:【SCI-EXPANDED(收录号:WOS:000430283800007)】；

基金：This work was financially supported by the National Natural Science Foundation of China (51574126), National key research and development program, 2016YFC0401203, National Science-technology Support Plan Projects, 2015BAB10B01.

语种：英文

外文关键词：crystal morphology; growth mechanism; lithium carbonate; molecular dynamics simulation

摘要：In the reactive crystallization of lithium carbonate, molecular dynamics simulations are performed for crystal faces of lithium carbonate in contact with sodium chloride-water molecules. A modified attachment energy model, accounting for the Connolly surface, spacing between crystal faces and solvent molecules, is applied to predict the morphological importance of crystal surface in solvent. From the solvent-effected attachment energy calculations it is found that the (2 0 -2) and (1 1 -1) faces become more morphologically important compared with those in vacuum, while the growth rates of (0 0 2) and (1 1 0) faces become quicker, and their area of crystal faces decreases gradually. The observed growth morphology and X-ray powder diffraction patterns are in accordance with the predicted morphology derived from the modified AE model.