利用库尔特流研究流体剪切力诱发的α-甘氨酸二次成核现象

IF 3.2 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Crystal Growth & Design Pub Date : 2024-06-10 DOI:10.1021/acs.cgd.4c00130
Andrew Cashmore, Konstantinos Georgoulas, Christopher Boyle, Mei Lee, Mark D. Haw and Jan Sefcik*, 
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引用次数: 0

摘要

设计了一种库埃特池流动装置,并开发了一种实验程序,以便在受控的过饱和度、温度和流动条件下,使用固定的籽晶定量研究流体剪切力对二次成核的影响。这种方法排除了机械冲击,因为机械冲击通常被认为是二次成核的主要来源,例如晶体磨损。我们发现,在流体剪切力的诱导下,水溶液中α-甘氨酸的二次成核率非常显著,比相同条件下的一次成核率高出约 6 个数量级。与之前研究的磁力搅拌小瓶相比,发现每个籽晶的二次成核率要低大约 1 个数量级,因为在磁力搅拌小瓶中,单个籽晶是自由移动的,因此不能排除其机械影响。本文采用计算流体动力学方法计算了在 100 至 600 转/分钟的转速下,沿固定籽晶表面的剪切应力。这种方法可以将二次成核率与壁面剪应力联系起来,从而建立定量模型,捕捉流体剪切力对二次成核动力学的影响。目录图显示了在磁力搅拌的小样品瓶中记录的成核率,与将种子固定并暴露在层流剪切力下的 Couette 流动池中记录的成核率进行了比较。在这两种情况下,二次成核率都远远高于一次成核率,这表明流体剪切诱导的二次成核非常重要。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Secondary Nucleation of α-Glycine Induced by Fluid Shear Investigated Using a Couette Flow Cell

A Couette cell flow device was designed, and an experimental procedure was developed to enable a quantitative study of the effects of fluid shear on secondary nucleation using a fixed seed crystal under controlled supersaturation, temperature, and flow conditions. This approach excludes mechanical impact, which is often considered to be the principal source of secondary nucleation, for example, through crystal attrition. We found that secondary nucleation rates of α-glycine in aqueous solutions induced by fluid shear were very significant and about 6 orders of magnitude higher than primary nucleation rates at the same conditions. Secondary nucleation rates per seed crystal were found to be about 1 order of magnitude lower compared with the magnetically stirred vials investigated previously, where a single seed crystal was freely moving, and thus, its mechanical impacts could not be ruled out. Computational fluid dynamics was used to calculate the wall shear stress along the surface of fixed seed crystals placed in the Couette cell gap at rotation rates between 100 and 600 rpm investigated here. This approach allows relating the secondary nucleation rate to the wall shear stress so that quantitative models can be developed to capture the effects of fluid shear on secondary nucleation kinetics. Such models will then facilitate scale-up and transfer of secondary nucleation kinetics between various equipment used in industrial crystallization processes.

The table of contents graphic shows the nucleation rates recorded in small, magnetically agitated vials compared with those from the Couette flow cell in which a seed was held in place and exposed to laminar shear. Secondary nucleation rates are much higher than primary nucleation rates in both cases, which indicates the significance of secondary nucleation induced by fluid shear.

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来源期刊
Crystal Growth & Design
Crystal Growth & Design 化学-材料科学:综合
CiteScore
6.30
自引率
10.50%
发文量
650
审稿时长
1.9 months
期刊介绍: The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials. Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.
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