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亚稳液体中颗粒聚集体的动力学:成核和生长动力学理论的检验。

Dynamics of particulate assemblages in metastable liquids: a test of theory with nucleation and growth kinetics.

机构信息

Department of Theoretical and Mathematical Physics, Laboratory of Multi-Scale Mathematical Modeling, Ural Federal University, Ekaterinburg 620000, Russian Federation.

出版信息

Philos Trans A Math Phys Eng Sci. 2020 May 15;378(2171):20190245. doi: 10.1098/rsta.2019.0245. Epub 2020 Apr 13.

Abstract

This manuscript is devoted to the nonlinear dynamics of particulate assemblages in metastable liquids, caused by various dynamical laws of crystal growth and nucleation kinetics. First of all, we compare the quasi-steady-state and unsteady-state growth rates of spherical crystals in supercooled and supersaturated liquids. It is demonstrated that the unsteady-state rates transform to the steady-state ones in a limiting case of fine particles. We show that the real crystals evolve slowly in a more actual case of unsteady-state growth laws. Various growth rates of particles are tested against experimental data in metastable liquids. It is demonstrated that the unsteady-state rates describe the nonlinear behaviour of experimental curves with increasing the growth time or supersaturation. Taking this into account, the crystal-size distribution function and metastability degree are analytically found and compared with experimental data on crystallization in inorganic and organic solutions. It is significant that the distribution function is shifted to smaller sizes of particles if we are dealing with the unsteady-state growth rates. In addition, a complete analytical solution constructed in a parametric form is simplified in the case of small fluctuations in particle growth rates. In this case, a desupercooling/desupersaturation law is derived in an explicit form. Special attention is devoted to the biomedical applications for insulin and protein crystallization. This article is part of the theme issue 'Patterns in soft and biological matters'.

摘要

本文致力于研究亚稳液体中颗粒聚集体的非线性动力学,这是由晶体生长和成核动力学的各种动力学规律引起的。首先,我们比较了过冷和过饱和液体中球形晶体的准稳态和非稳态生长速率。结果表明,在细颗粒的极限情况下,非稳态速率会转化为稳态速率。我们表明,在更实际的非稳态生长规律情况下,实际晶体的演化速度较慢。在亚稳液体中,对各种颗粒生长速率与实验数据进行了测试。结果表明,非稳态速率可以描述随着生长时间或过饱和度的增加而出现的实验曲线的非线性行为。考虑到这一点,我们分析并找到了晶体尺寸分布函数和亚稳度,并将其与无机和有机溶液中结晶的实验数据进行了比较。如果我们处理的是非稳态生长速率,那么分布函数会向较小的颗粒尺寸移动,这一点很重要。此外,在颗粒生长速率小波动的情况下,以参数形式构建的完整解析解会简化。在这种情况下,会以显式形式推导出过冷/过饱和度定律。特别关注胰岛素和蛋白质结晶的生物医学应用。本文是“软物质和生物物质中的模式”主题特刊的一部分。

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本文引用的文献

1
Dissolution of polydisperse ensembles of crystals in channels with a forced flow.多分散晶体在强制流通道中的溶解。
Philos Trans A Math Phys Eng Sci. 2020 May 15;378(2171):20190246. doi: 10.1098/rsta.2019.0246. Epub 2020 Apr 13.
2
From nucleation and coarsening to coalescence in metastable liquids.从亚稳态液体中的成核、粗化到聚并
Philos Trans A Math Phys Eng Sci. 2020 May 15;378(2171):20190247. doi: 10.1098/rsta.2019.0247. Epub 2020 Apr 13.
3
The effect of density changes on crystallization with a mushy layer.密度变化对具有糊状层的结晶过程的影响。
Philos Trans A Math Phys Eng Sci. 2020 May 15;378(2171):20190248. doi: 10.1098/rsta.2019.0248. Epub 2020 Apr 13.
4
Phase transformations in metastable liquids combined with polymerization.亚稳态液体中的相变与聚合作用相结合。
Philos Trans A Math Phys Eng Sci. 2019 Apr 22;377(2143):20180215. doi: 10.1098/rsta.2018.0215.

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