溶液结晶是重要的化工单元操作。晶体的晶型、晶习和形状分布是影响药物晶体质量的关键因素，其优化和预测控制具有重要意义。.基于晶习的粒数衡算（MPB）模型相对于传统粒数衡算模型可以实现晶体形状的实时准确重构。但现有的MPB模型要实现实际工业结晶过程的模拟、优化和控制还需要考虑晶型选择、晶体溶解等现象。.本项目计划集成立体成像系统、在线红外等过程分析技术和图像处理、三维重构、MPB模型构建结晶过程决策支持系统（CryDSS），可以帮助结晶过程快速确定操作空间，实现基于晶体形状分布的结晶过程模拟、优化和控制，对于工业结晶领域具有重要意义。并利用该系统实现晶体所有独立晶面面生长动力学和面溶解动力学的同时测量、多晶型晶体晶型操作空间的确定；将晶体面生长/溶解动力学和晶型选择纳入MPB模型，构建拓展的MPB模型；并将拓展的MPB模型用于多晶型药物布洛芬的基于形状分布的结晶过程模拟、优化和控制当中。

Solution crystallization is an important chemical unit operation. Polymorph, crystal habit and shape distribution are key factors affecting pharmaceutical crystal quality, and their optimization and predictive control are of great significance..Compared with traditional population balance model, morphological population balance (MPB) model can realize real time and accurate crystal shape reconstruction. However, in order to achieve the simulation, optimization and control of actual industrial crystallization process, the existing MPB models need to consider crystal form selection and crystal dissolution..This project plans to integrate process analysis technology (PAT) including stereo imaging system, on-line infrared probe and image processing, 3D reconstruction and MPB model to build crystallization decision support system (CryDSS), which can help quickly determine the operation space for crystallization process and realize the simulation, optimization and control of crystallization process with crystal shape distribution (CShD) as the target, which is of great significance for industrial crystallization. The system will be used to realize the simultaneous measurement of face specific growth and dissolution kinetics of all independent crystal faces, and to determine the operating space of crystal polymorph, and to incorporate crystal surface growth / dissolution kinetics and crystal form selection into MPB model to construct the extended MPB model. And then the extended MPB model will be used in the CShD based simulation, optimization and control of the crystallization process of a model pharmaceutical crystal, ibuprofen.