This project aims to develop generic, design-oriented process models suitable to describe biomolecules crystallisation in batch and continuous platforms. Specific objectives:
1-Develop a process-level kinetic model library for nucleation and growth of biomolecules: mechanistic models laying on solid physical foundations, and semi-mechanistic models involving fewer parameters.
2-Develop process models that can simulate batch and continuous crystallisers. Trajectory optimisation to determine the dynamic operation of batch systems, and designing multi-segment multi (e.g., precipitating agent) addition continuous crystallisers. These rely on population balance models, with some compartmentalisation in the mixing-critical and high-shear (impeller) regions.
3-Validate experimentally the models using a relevant case study. To mimic the real workflow, the crystallisation kinetics is aimed to be determined from small-scale experiments and transferred to the manufacturing scale of interest. 4-Develop a digital twin, which will receive PAT measurements from the process and will estimate the otherwise unmeasurable states.
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