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A Theoretical Nucleation Study of the Combined Effect of Seeding and Temperature Profile in Cooling Crystallization

机译:一种理论核化学效应播种和温度曲线在冷却结晶中的综合核化学研究

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Crystallization is a widely used unit operation used for the production of pharmaceuticals, fertilizers, and fine chemicals. One of the most common types of crystallization is cooling crystallization. In cooling crystallization, the solution is cooled to generate supersaturation causing the formation and growth of crystals. The properties of the product are dependent on the shape of the supersaturation curve. Nucleation will occur at high rates if supersaturation increases to excessive levels, this being an undesired outcome. A commonly used crystallization objective is to produce large crystals with minimum fines production under conditions of low nucleation rates. A typical approach to minimize nucleation known as "programmed cooling" is to utilize an optimum temperature profile. Recent research works have favored initial seed characteristics over programmed cooling for the production of unimodal crystal size distributions (CSD). In this paper, a theoretical seed chart is developed for combined seeded-cooling crystallization via fundamental crystallization kinetic modeling of potassium chloride (KC1). Fundamental analysis here shows that joint cooling and seeding optimization of cooling crystallization gives superior performance to just optimizing the seed, and that the current trend of experimentally optimizing the seed is undermined by model-based optimization approaches.
机译:结晶是用于生产药物,肥料和精细化学物质的广泛使用的单元操作。最常见的结晶类型之一是冷却结晶。在冷却结晶时,冷却溶液以产生过饱和,导致晶体的形成和生长。产品的性质取决于过饱和曲线的形状。如果过饱现增加到过度水平,则成核将以高速率发生,这是一个不期望的结果。常用的结晶目的是在低成核率的条件下产生具有最小罚款的大晶体。最小化称为“编程冷却”的成核的典型方法是利用最佳温度曲线。最近的研究作品有利于在编程冷却方面获得初始种子特性,用于生产单峰晶体尺寸分布(CSD)。在本文中,开发了理论种子图,用于通过氯化钾(KC1)的基本结晶动力学建模组合用于组合的种子冷却结晶。这里的基本分析表明,冷却结晶的关节冷却和播种优化使得刚刚优化种子的优异性能,并且通过基于模型的优化方法破坏了实验优化种子的当前趋势。

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