| 溶液中结晶生长的动力学模拟:化学键合方法 |
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| 引用本文： | 鲍泽耀,赵旭,薛冬峰.溶液中结晶生长的动力学模拟:化学键合方法[J].人工晶体学报,2009,38(2):396-401. |
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| 作者姓名： | 鲍泽耀 赵旭 薛冬峰 |
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| 作者单位： | 大连理工大学化工学院材料化工系,精细化工国家重点实验室,大连,116012 |
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| 基金项目： | 教育部新世纪优秀人才支持计划，国家自然科学基金 |
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| 摘 要： | 基于化学键合的角度对晶体生长过程的理解,提出了一个由动力学因素控制的形貌预测模型.该模型同时考虑了晶体内部结构和环境生长因素对晶体最终形貌的影响.对磷酸二氢钾 (KDP) 和磷酸二氢铵 (ADP) 晶体在不同动力学条件下的生长形貌进行了理论模拟,所预测的结果与实验观测结果基本一致.同时比较了相同过饱和度条件下KDP和ADP晶体的生长形貌,认为晶体局部成键性质不同是导致两者形貌差异的根本原因.本文通过对动力学因素控制的生长形貌的分析,为实际晶体生长过程中的形貌调控研究及应用提供理论依据.
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| 关 键 词： | 生长模型 结晶形貌 化学键 动力学 |
A Chemical Bonding Method for Kinetic Simulation of Single Crystals Grown from Aqueous Solution |
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| BAO Ze-yao,ZHAO Xu,XUE Dong-feng.A Chemical Bonding Method for Kinetic Simulation of Single Crystals Grown from Aqueous Solution[J].Journal of Synthetic Crystals,2009,38(2):396-401. |
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| Authors: | BAO Ze-yao ZHAO Xu XUE Dong-feng |
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| Institution: | State Key Laboratory of Fine Chemicals;Department of Materials Science and Chemical Engineering;School of Chemical Engineering;Dalian University of Technology;Dalian 116012;China |
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| Abstract: | A chemical bonding method for kinetically predicting the growth shape of single crystals was proposed. An attempt was made to find the relation between crystal morphology and both internal and external factors. To validate this model, we applied it to potassium dihydrogen phosphate (KDP) and ammonium dihydrogen phosphate (ADP) crystals grown from aqueous solution, shape evolutions can be got by changing the habit-controlling factors. The simulated results matched well with our experimental results. Furtherm... |
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| Keywords: | growth model crystal morphology chemical bond kinetics |
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