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首页> 外文期刊>Journal of Chemical Engineering of Japan >Quantitative Evaluation of Glycine Crystal Growth from Solution by a Phase Field Simulation
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Quantitative Evaluation of Glycine Crystal Growth from Solution by a Phase Field Simulation

机译:通过相场模拟定量评估溶液中甘氨酸晶体的生长

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Quantitative evaluation of crystal growth is important to understand the mechanism upon crystallization from supersaturated solution. In the present work, the prediction of crystal growth was quantitatively performed by phase-field simulation. The program on the crystal growth following the concentration difference as the driving force was developed. The validity of simulation results was evaluated by comparing the crystal morphology obtained by phase-field simulation with experimental results. The rate of crystal growth was estimated by calculating the change in crystal morphology against time. The crystal growth rate was different between constant and non-constant supersaturation ratios. The growth rate on each face strongly depended on the supersaturation ratio. This simulation method would help to design operating conditions for obtaining the desired crystal morphology. We could quantitatively predict the crystal growth by introducing the substance-specific parameters.
机译:晶体生长的定量评估对于了解从过饱和溶液中结晶的机理很重要。在目前的工作中,通过相场模拟定量地预测了晶体的生长。开发了随浓度差随驱动力变化的晶体生长程序。通过将相场模拟获得的晶体形态与实验结果进行比较,评估了模拟结果的有效性。通过计算晶体形态随时间的变化来估算晶体的生长速率。在恒定和非恒定的过饱和比之间,晶体的生长速率是不同的。每个面上的增长率很大程度上取决于过饱和率。这种模拟方法将有助于设计用于获得所需晶体形态的工作条件。通过引入特定于物质的参数,我们可以定量地预测晶体的生长。

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