Stochasticity in Primary Nucleation: Measuring and Modeling Detection Times
Stochasticity in Primary Nucleation: Measuring and Modeling Detection Times
复制标题
初级成核的随机性：检测时间的测量和建模
DOI：
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发表时间：
2017
期刊：
影响因子：
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通讯作者：
M. Mazzotti
中科院分区：
文献类型：
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作者：
G. Maggioni;M. Mazzotti
在这项工作中，对对氨基苯甲酸在1.5/1.8 mL间歇反应器中，在乙腈、异丙醇和乙酸乙酯中等温结晶的大量文献数据进行了随机成核研究。我们研究了用于模拟成核随机过程的基本统计假设和实现这些假设所需的标准：基于一个健全的数学框架，我们开发并实施了一个统计分析，使人们能够评估实验数据的统计代表性及其固有的不确定性。该过程的物理模型已经开发，包括初生成核和晶体的生长，直到检测。在统计分析的基础上，根据两种可供选择的方法，从测量中估计模型参数，考虑随机成核和检测条件。鉴于这些结果，本研究进一步详细探讨了两个方面：选择……
In this work, stochastic nucleation has been investigated analyzing a large set of literature data on the isothermal crystallization of p-aminobenzoic acid in acetonitrile, isopropanol, and ethyl acetate in 1.5/1.8 mL batch reactors. We investigated the basic statistical hypotheses used to model the stochastic process of nucleation and the criteria necessary for their fulfilment: based on a sound mathematical framework, we have developed and implemented a statistical analysis which allows one to assess the statistical representativity of experimental data and their inherent uncertainty. A physical model of the process has been developed including primary nucleation and growth of crystals until detection. On the basis of the statistical analysis developed, the model parameters have been estimated from the measurements, accounting for stochastic nucleation and conditions for detection, according to two alternative methods. In light of such results, this work explores two further aspects in detail: the choic...