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Morphology and Growth Mechanism Study of Lithium Carbonate Synthesized by Reactive Crystallization
Author(s) -
Duan Shaojun,
Sun Yuzhu,
Song Xingfu,
Yu Jianguo
Publication year - 2018
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.201700185
Subject(s) - crystallization , solvent , lithium (medication) , crystal (programming language) , lithium carbonate , carbonate , molecule , sodium carbonate , surface energy , crystal growth , chemistry , chemical engineering , lithium chloride , morphology (biology) , crystallography , materials science , inorganic chemistry , sodium , organic chemistry , geology , ion , medicine , paleontology , ionic bonding , engineering , endocrinology , computer science , programming language
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.