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No More Than Three: Technoeconomic Mixed Integer Nonlinear Programming Optimization of Mixed Suspension, Mixed Product Removal Crystallizer Cascades for Melitracen, an Antidepressant API
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2020-11-20 , DOI: 10.1021/acs.iecr.0c03535 Samir Diab 1 , Dimitrios I. Gerogiorgis 1
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2020-11-20 , DOI: 10.1021/acs.iecr.0c03535 Samir Diab 1 , Dimitrios I. Gerogiorgis 1
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Mixed Suspension, Mixed Product Removal (MSMPR) crystallizers have been considered in numerous cases as a continuous mode of operation in the production of Active Pharmaceutical Ingredients (APIs). The steady-state continuous MSMPR crystallization of melitracen via cooling has been recently demonstrated in the literature, with crystallization kinetic parameters regressed from experimental data. Mixed Integer Nonlinear Programming (MINLP) has been implemented extensively for the optimization of separation process designs in various manufacturing sectors, but not for systematic design and screening of MSMPR cascade flowsheet configurations. This study performs MINLP optimization to maximize the Net Present Value (NPV) of a MSMPR cascade for continuous melitracen crystallization with solid recycling. Process flowsheets consider varying numbers of crystallizers and recycle stream feed point location. First, the MSMPR model describing API solubility, crystallization kinetics, population balance equations, and process mass balances is described. The MINLP problem and constraints are then described with detailed costing equations. The optimal flowsheet configuration for both considered plant capacities (103 and 104 kg API yr–1) is three crystallizers with recycling fed to the first and last vessels. This study illustrates rapid screening of continuous crystallization cascades via MINLP optimization, toward fully Continuous Pharmaceutical Manufacturing (CPM) plant designs.
中文翻译：
不超过三项：技术经济的混合整数混合悬浮液的非线性编程优化，抗抑郁药API的Melitracen的混合产品去除结晶器级联
在许多情况下，混合悬浮液，混合产品去除（MSMPR）结晶器已被视为生产活性药物成分（API）的连续操作方式。最近已经在文献中证明了通过冷却的melitracen的稳态连续MSMPR结晶，结晶动力学参数从实验数据中得出。混合整数非线性规划（MINLP）已被广泛实施，以优化各个制造部门的分离工艺设计，但尚未用于MSMPR级联流程图配置的系统设计和筛选。这项研究进行了MINLP优化，以最大化MSMPR级联的净现值（NPV），以实现连续的马来酸钙素结晶和固体回收。工艺流程图考虑了不同数量的结晶器和循环流进料点的位置。首先，描述了描述API溶解度，结晶动力学，总体平衡方程和过程质量平衡的MSMPR模型。然后用详细的成本方程描述MINLP问题和约束。兼顾工厂产能的最佳流程图配置（103和10 4 kg API yr –1）是三台结晶器，将回收物送入第一个容器和最后一个容器。这项研究说明了通过MINLP优化对连续结晶级联反应的快速筛选，朝着完全连续制药（CPM）工厂设计的方向发展。
更新日期：2020-12-09
中文翻译：
不超过三项：技术经济的混合整数混合悬浮液的非线性编程优化，抗抑郁药API的Melitracen的混合产品去除结晶器级联
在许多情况下，混合悬浮液，混合产品去除（MSMPR）结晶器已被视为生产活性药物成分（API）的连续操作方式。最近已经在文献中证明了通过冷却的melitracen的稳态连续MSMPR结晶，结晶动力学参数从实验数据中得出。混合整数非线性规划（MINLP）已被广泛实施，以优化各个制造部门的分离工艺设计，但尚未用于MSMPR级联流程图配置的系统设计和筛选。这项研究进行了MINLP优化，以最大化MSMPR级联的净现值（NPV），以实现连续的马来酸钙素结晶和固体回收。工艺流程图考虑了不同数量的结晶器和循环流进料点的位置。首先，描述了描述API溶解度，结晶动力学，总体平衡方程和过程质量平衡的MSMPR模型。然后用详细的成本方程描述MINLP问题和约束。兼顾工厂产能的最佳流程图配置（103和10 4 kg API yr –1）是三台结晶器，将回收物送入第一个容器和最后一个容器。这项研究说明了通过MINLP优化对连续结晶级联反应的快速筛选，朝着完全连续制药（CPM）工厂设计的方向发展。
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