喷射结晶器的计算流体动力学模拟,用于持续结晶洛瓦斯塔丁
Mohammad Zarei1, Hamid Reza Norouzi2, Ali M Sahlodin3
1Department of Chemical Engineering, Amirkabir University of Technology (Tehran Polytechnic), No. 350, Hafez, Tehran, 15875-4413, Iran.
Scientific reports
|January 10, 2024
概括
计算流体动力学模型连续的洛瓦斯塔丁结晶揭示了关键参数的影响. 较高的喷射速度缩小了晶体尺寸分布,而增加的超和和较低的溶剂比率提高了生产率.
科学领域:
- 化学工程是化学工程的重要组成部分.
- 结晶科学 结晶科学
- 计算建模 计算建模
背景情况:
- 连续结晶提供优势,比批量工艺的药品,如lovastatin.
- 控制晶体大小和生产速度对于高效的下游加工至关重要.
- 阻塞喷气结晶器为结晶提供了独特的混合动力.
研究的目的:
- 用计算流体动力学 (CFD) 模型研究洛瓦斯塔丁的连续结晶.
- 分析关键过程参数对洛瓦斯塔丁晶体大小分布和生产速度的影响.
- 根据实验数据验证CFD模型,以获得可靠的模拟结果.
主要方法:
- 将CFD与微混合,人口平衡和能源平衡方程相结合.
- 在OpenFOAM中实现模型用于模拟.
- 与实验结晶数据对模型的预测进行验证.
- 系统地改变工艺参数,如进气喷气速度,超和比率和溶剂对抗溶剂质量流量比率.
主要成果:
- 增加进气喷射速度显著减少了平均晶体大小,并缩小了尺寸分布.
- 更高的入口超和比率导致更大的平均晶体大小和更高的生产率.
- 较低的溶液-抗溶剂质量流量比导致更广泛的尺寸分布,更大的晶体和更高的生产率.
结论:
- 经过验证的CFD模型准确地预测了洛瓦斯塔丁结晶的行为.
- 进气喷气速度是控制晶体大小和分布的关键参数.
- 超和溶剂比率显著影响晶体大小和生产速度,为流程优化提供了途径.
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