制药批量冷却结晶过程的建模使用计算流体动力学与一维人口平衡模型相结合
Diana M Camacho Corzo1, Juliet A Figueroa Rosette1, Abdul Samad Rana1
1Centre for Digital Design of Drug Products, School of Chemical and Process Engineering, The University of Leeds, Leeds LS2 9JT, U.K.
这项研究模拟了使用计算流体动力学 (CFD) 和人口平衡方程 (PBE) 的L-胺酸批冷结晶. 较高的螺旋速度和振动速率导致由于流和超和增加的晶体尺寸较小.
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
- 制药制造业 制药制造业 制药制造业
背景情况:
- 批量冷却结晶对于制药成分生产至关重要.
- 控制晶体大小分布 (CSD) 对产品质量和下游加工至关重要.
- 了解水力学和动力学相互作用是优化结晶的关键.
研究的目的:
- 模拟和分析L-胺酸的批量冷却结晶.
- 研究水力动力学和过程动力学对晶体大小分布的影响.
- 验证结合的CFD-PBE模型的预测能力.
主要方法:
- 多相计算流体动力学 (CFD) 模型与一维人口平衡方程 (PBE) 相结合.
- 模拟20升制药批量结晶器对L-氨酸的α多态形式的模拟.
- 将模拟结果与已发表的实验数据进行比较.
主要成果:
- 该CFD-PBE模型准确地预测了最终的晶体大小分布.
- 增加的螺旋速度和振动速率导致晶体尺寸更小.
- 过程参数的显著空间和时间变化影响了CSD的演变,尤其是在早期阶段.
结论:
- 结合的CFD-PBE模型为结晶过程提供了高准确度的洞察力.
- 水力动力学,特别是流和超和,显著影响CSD.
- 准确的结晶动力学数据对于可靠的模拟结果至关重要.
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