Integrated Population Balance and Multiphysics Modeling for Predicting Undesired Agglomeration in Small Molecule Manufacturing

2026-09-09

AI Summary

本文提出了一种新的机制模型，通过集成群体平衡和多物理场建模来预测搅拌过滤干燥过程中不希望的团聚现象，以提高产品质量和过程可靠性。

Abstract

Agitated filter dryers (AFDs) are a crucial unit operation in small molecule manufacturing that enables simultaneous filtration, washing, and drying of active pharmaceutical ingredients. One of the key challenges in AFDs is associated with undesired agglomeration, where the presence of hard agglomerates results in off-spec products, equipment damage, and additional downstream processing. This article presents a novel mechanistic model that describes the formation of soft and hard agglomerates during agitated filter drying. By integrating population balance and multiphysics modeling, the model can accurately predict the evolution of the product temperature, moisture content, and particle size distribution, and hence quantify the extend and impact of undesired agglomeration across various operating conditions. Our proposed model-based framework enables the rational design and operation of AFDs for improving the product quality and process reliability.

Problem

• agglomeration
• filter dryers
• small molecule manufacturing
• product quality

Innovation

• mechanistic model
• population balance
• multiphysics modeling
• agglomeration prediction