最大化相似性:使用相关系数在人口平衡模型中校准动力参数
Álmos Orosz1, Botond Szilágyi1
1Department of Chemical and Environmental Process Engineering, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111, Budapest, Hungary.
Heliyon
|December 3, 2024
概括
本研究引入了一种新方法,用于估计人口平衡模型 (PBM) 中的动力参数,使用线性粒子监测数据. 这种方法提高了化学和制药制造中的结晶过程效率和产品质量.
科学领域:
- 化学工程是化学工程的重要组成部分.
- 工艺系统工程 工艺系统工程
- 结晶技术 结晶技术的使用
背景情况:
- 结晶对于化学和制药净化至关重要.
- 基于模型的设计,特别是人口平衡模型 (PBMs),优化了结晶过程.
- 在线粒子监测提供了定性见解,但在PBMs的直接动力参数估计方面面临挑战.
研究的目的:
- 开发和验证一种新的方法,用于PBM中的动力参数估计,使用直线粒子监测数据.
- 克服内置监控工具直接数据解释的局限性.
- 将新方法的性能与经典和天真估计技术进行比较.
主要方法:
- 开发了一种新的方法,利用线下产品尺寸数据和来自线内颗粒监测的基于相关性的信息.
- 将新方法与经典方法 (溶液度和产品大小数据) 和天真方法 (与模拟直接比较内线数据) 相比较.
- 使用两个in-silico案例研究评估预测能力,采用皮尔森相关系数.
主要成果:
- 这种基于关联的新技术的准确性和预测能力与经典方法相美.
- 该方法即使在杂的数据和涉及聚合和脱聚合的复杂系统中也被证明是有效的.
- 皮尔森的相关系数在测试的场景中产生了最佳结果.
结论:
- 拟议的方法为PBM动力参数估计提供了一个可行的替代方案,利用线内粒子监测数据.
- 这种方法有效地绕过了与直线监测数据的直接使用相关的实验和数据解释挑战.
- 这些发现支持这种技术的实际应用,释放了PBM开发中线内测量的潜力.
相关概念视频
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