Estimation of Nucleation and Growth Kinetics of Benzoic Acid by Population Balance Modeling of a Continuous Cooling Mixed Suspension, Mixed Product Removal Crystallizer
Estimation of Nucleation and Growth Kinetics of Benzoic Acid by Population Balance Modeling of a Continuous Cooling Mixed Suspension, Mixed Product Removal Crystallizer
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DOI：
10.1021/acs.oprd.5b00139
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发表时间：
2015-12-01
影响因子：
3.4
通讯作者：
Glennon, Brian
中科院分区：
文献类型：
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作者：
Morris, Gary;Power, Graham;Glennon, Brian
使用 500 mL 连续混合悬浮液、混合产物去除 (MSMPR) 结晶器和 MSMPR 过程的数学模型测定通过冷却从 1.5:1 (w/w) 水/乙醇溶液中结晶的苯甲酸的成核和生长动力学。开发的模型解决了系统动力学表达式的布居、力矩和质量平衡关系，并与动力学参数估计的非线性优化例程相结合。通过改变结晶器操作条件来诱导影响生长和成核的速率变量（温度、过饱和度和悬浮液密度）的变化，获得模型拟合和参数估计的综合实验数据。使用聚焦光束反射测量（FBRM）实时监测尺寸分布，以识别稳态，从而能够按需调整操作条件以转变多个稳态，从而快速采集动力学数据。使用 Malvern Mastersizer 来量化稳态下的晶体尺寸分布 (CSD)，而浓度则通过重量分析法确定。根据模型拟合程序估算了晶体生长和成核的六个动力学参数，从而能够准确预测稳态下的 CSD 和浓度结果。
Nucleation and growth kinetics of benzoic acid crystallized by cooling from 1.5:1 (w/w) water/ethanol solutions were determined using a 500 mL continuous mixed suspension, mixed product removal (MSMPR) crystallizer and a mathematical model of the MSMPR process. The developed model solves the population, moment, and mass balance relationships with the kinetic expressions for the system and is coupled with a nonlinear optimization routine for kinetic parameter estimation. Comprehensive experimental data for model fitting and parameter estimation was obtained by varying crystallizer operating conditions to induce changes in the rate-affecting variables for growth and nucleation (temperature, supersaturation, and suspension density). The size distribution was monitored in real-time using focused beam reflectance measurement (FBRM) to identify steady-state and hence to enable on-demand adjustment of the operating conditions to transition multiple steady-states for rapid acquisition of kinetic data. A Malvern Mastersizer was used to quantify the crystal size distribution (CSD) at steady-state, whereas concentration was determined gravimetrically. Six kinetic parameters for crystal growth and nucleation were estimated from the model fitting procedure, which enabled accurate prediction of CSD and concentration results at steady-state.