Imperial College London
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George JACKSON BSc DPhil FRSC FRS

Faculty of Engineering, Department of Chemical Engineering

Professor of Chemical Physics
 
 
 
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Contact

 

+44 (0)20 7594 5640g.jackson Website

 
 
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Location

 

RODH 605Roderic Hill BuildingSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Watson:2021:10.1021/acs.oprd.0c00516,
author = {Watson, OL and Jonuzaj, S and McGinty, J and Sefcik, J and Galindo, A and Jackson, G and Adjiman, CS},
doi = {10.1021/acs.oprd.0c00516},
journal = {Organic Process Research and Development},
pages = {1123--1142},
title = {Computer aided design of solvent blends for hybrid cooling and antisolvent crystallization of active pharmaceutical ingredients},
url = {http://dx.doi.org/10.1021/acs.oprd.0c00516},
volume = {25},
year = {2021}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - Choosing a solvent and an antisolvent for a new crystallization process is challenging due to the sheer number of possible solvent mixtures and the impact of solvent composition and crystallization temperature on process performance. To facilitate this choice, we present a general computer aided mixture/blend design (CAMbD) formulation for the design of optimal solvent mixtures for the crystallization of pharmaceutical products. The proposed methodology enables the simultaneous identification of the optimal process temperature, solvent, antisolvent, and composition of solvent mixture. The SAFT-γ Mie group-contribution approach is used in the design of crystallization solvents; based on an equilibrium model, both the crystal yield and solvent consumption are considered. The design formulation is implemented in gPROMS and applied to the crystallization of lovastatin and ibuprofen, where a hybrid approach combining cooling and antisolvent crystallization is compared to each method alone. For lovastatin, the use of a hybrid approach leads to an increase in crystal yield compared to antisolvent crystallization or cooling crystallization. Furthermore, it is seen that using less volatile but powerful crystallization solvents at lower temperatures can lead to better performance. When considering ibuprofen, the hybrid and antisolvent crystallization techniques provide a similar performance, but the use of solvent mixtures throughout the crystallization is critical in maximizing crystal yields and minimizing solvent consumption. We show that our more general approach to rational design of solvent blends brings significant benefits for the design of crystallization processes in pharmaceutical and chemical manufacturing.
AU  - Watson,OL
AU  - Jonuzaj,S
AU  - McGinty,J
AU  - Sefcik,J
AU  - Galindo,A
AU  - Jackson,G
AU  - Adjiman,CS
DO  - 10.1021/acs.oprd.0c00516
EP  - 1142
PY  - 2021///
SN  - 1083-6160
SP  - 1123
TI  - Computer aided design of solvent blends for hybrid cooling and antisolvent crystallization of active pharmaceutical ingredients
T2  - Organic Process Research and Development
UR  - http://dx.doi.org/10.1021/acs.oprd.0c00516
UR  - https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000656057000003&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR  - https://pubs.acs.org/doi/10.1021/acs.oprd.0c00516
UR  - http://hdl.handle.net/10044/1/99402
VL  - 25
ER  -
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