Monitoring and digital design of the cooling crystallization of a high-aspect ratio anticancer drug using a two-dimensional population balance model

Chemical Engineering Science(2022)

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摘要
•Morphological population balance model developed for a commercial API.•Novel parameter estimation including FBRM data enhanced the robustness of the model.•Model was used for in silico investigation and digital design of temperature profile.•The simulation revealed strong effect if initial supersaturation of product aspect ratio.•Digital design results validated experimentally resulted in improved product quality.
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关键词
Pharmaceutical crystallization,Digital design,Needle-like crystals,Morphological population balance,Parameter estimation
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