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Scale-Up of a Semi-Batch Draft Tube Baffled Crystallizer for Hexanitrohexaazaisowurtzitane Based on Experiments and Computational Fluid Dynamics Simulation
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-12-27 00:00:00 , DOI: 10.1021/acs.cgd.8b01237 Dong-Hoon Oh 1 , Rak-Young Jeon 2 , Jun-Hyung Kim 3 , Chang-Ha Lee 1 , Min Oh 2 , Kwang-Joo Kim 2
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-12-27 00:00:00 , DOI: 10.1021/acs.cgd.8b01237 Dong-Hoon Oh 1 , Rak-Young Jeon 2 , Jun-Hyung Kim 3 , Chang-Ha Lee 1 , Min Oh 2 , Kwang-Joo Kim 2
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In this study, experimental work was carried out for the production of microsized hexanitrohexaazaisowurtzitane (HNIW) in a 500 L draft tube baffled (DTB) crystallizer. Acetone and isopropanol were used as the solvent and antisolvent. From the experimental data, the kinetic parameters of the nucleation and growth rates were obtained by the maximum likelihood method. The kinetics was then used in the computational fluid dynamics simulation of a 500 L crystallizer. The simulation results were compared to the experimental data in terms of crystal size distribution, which showed a marginal error. On the basis of this mathematical model, the 500 L DTB crystallizer was scaled-up to 3000 L. Case studies were conducted on the 3000 L DTB crystallizer with one and two draft tubes. HNIW solid volume fraction, particle mean diameter, and particle size distributions were compared for both cases, which led to the conclusion that the two draft tube crystallizer showed better performances. Finally, the result of this paper envisaged dealing with the scale-up of the DTB crystallizer based on the experimental results and computational fluid dynamics simulations.
中文翻译：
基于实验和计算流体动力学模拟的六硝基六氮杂异纤锌矿型结构的半间歇尾气折流板结晶器的放大
在这项研究中，进行了在500 L导流板挡板（DTB）结晶器中生产微型六硝基六氮杂异纤锌矿型结构烷烃（HNIW）的实验工作。丙酮和异丙醇用作溶剂和抗溶剂。从实验数据中，通过最大似然法获得了成核动力学和生长速率的动力学参数。然后将动力学用于500 L结晶器的计算流体动力学模拟中。将模拟结果与实验数据在晶体尺寸分布方面进行了比较，结果表明存在边际误差。在此数学模型的基础上，将500 L DTB结晶器放大到3000L。对带有一个和两个引流管的3000 L DTB结晶器进行了案例研究。HNIW固体体积分数，颗粒平均直径，比较了两种情况的粒度分布和粒径分布，得出的结论是两个引流管结晶器表现出更好的性能。最后，根据实验结果和计算流体动力学模拟，本文的结果设想处理DTB结晶器的规模放大问题。
更新日期：2018-12-27
中文翻译：
基于实验和计算流体动力学模拟的六硝基六氮杂异纤锌矿型结构的半间歇尾气折流板结晶器的放大
在这项研究中，进行了在500 L导流板挡板（DTB）结晶器中生产微型六硝基六氮杂异纤锌矿型结构烷烃（HNIW）的实验工作。丙酮和异丙醇用作溶剂和抗溶剂。从实验数据中，通过最大似然法获得了成核动力学和生长速率的动力学参数。然后将动力学用于500 L结晶器的计算流体动力学模拟中。将模拟结果与实验数据在晶体尺寸分布方面进行了比较，结果表明存在边际误差。在此数学模型的基础上，将500 L DTB结晶器放大到3000L。对带有一个和两个引流管的3000 L DTB结晶器进行了案例研究。HNIW固体体积分数，颗粒平均直径，比较了两种情况的粒度分布和粒径分布，得出的结论是两个引流管结晶器表现出更好的性能。最后，根据实验结果和计算流体动力学模拟，本文的结果设想处理DTB结晶器的规模放大问题。
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