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Morphological Population Balance for ModellingShape Evolution of Crystals Grown From Solution

机译:溶液中生长晶体的形态演化建模的形态种群平衡

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Crystals are particles structured with multiple faces that often have different surfacechemistry and hence varied growth rates during crystallisation. It is possible tomanipulate the growth of individual facets e.g. Via the introduction of tailor-madeadditives which via changes in the molecular recognition for the different crystal habitfaces effect a reduction in the growth rate of a specific face, providing a means forcontrol of the shape as well the size of the final crystalline product. However theprediction of crystal shape has previously been restricted to single crystals. On the otherhand, population balance (PB) modelling of crystallisation has traditionally been monodimensional,I.e. Based on the assumption that the crystals in a reactor all have aspherical shape. Recently a few researchers have reported two-dimensional (e.g. Lengthand width) PB modelling for rod-like crystals. This paper presents a morphological (orpolyhedral) population balance model for modelling the dynamic size evolution in allface directions. The morphological PB approach uses the crystal shape information for asingle crystal obtained from morphology prediction or experiment as the initial facelocations as well as face growth rates to predict the shape evolution of the crystalpopulation. For every time instant during crystallisation, the shape prediction uses itsshape at the last time moment and the growth rate of each face. The methodology isintroduced by reference to potash alum (Kal(SO4)2·12H2O) for which literature data isavailable for comparison and validation.
机译:晶体是由多个面组成的粒子,这些面通常具有不同的表面 化学过程,因此在结晶过程中生长速率会发生变化。有可能 操纵各个方面的增长,例如通过量身定制的介绍 通过改变不同晶体习性的分子识别来改变的添加剂 面部会降低特定面部的增长率,从而为 控制最终结晶产品的形状以及尺寸。但是,那 晶体形状的预测以前仅限于单晶。在另一 一方面,结晶的种群平衡(PB)建模传统上是一维的, IE。基于以下假设:反应器中的晶体都具有 球形。最近,一些研究人员报告了二维(例如长度 和宽度)针对棒状晶体的PB建模。本文介绍了一种形态学(或 多面体)人口平衡模型,用于模拟所有领域的动态规模演变 面对方向。形态PB方法将晶体形状信息用于 从形态预测或实验获得的单晶作为初始面 位置和面生长速率,以预测晶体的形状演变 人口。对于结晶过程中的每个瞬间,形状预测都使用其 最后时刻的形状和每张脸的增长率。方法是 通过参考钾盐明矾(Kal(SO4)2·12H2O)引入,文献资料为 可用于比较和验证。

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