Computer-aided solvent mixture design for the crystallization and isolation of mefenamic acid

Suela Jonuzaj, Oliver L. Watson, Sara Ottoboni, Chris J. Price, Jan Sefcik, Amparo Galindo, George Jackson, Claire S. Adjiman

Research output: Chapter in Book/Report/Conference proceedingConference contribution book

1 Citation (Scopus)


We present a systematic computer-aided methodology for the integrated design of solvent blends used in the purification (i.e., crystallisation and isolation) of pharmaceutical compounds. In particular, we investigate the design of optimal solvent mixtures for combined cooling and antisolvent crystallisation, taking into account interlinked design decisions across both crystallisation and isolation (washing) stages. Within the proposed approach, the optimal solvents, antisolvents, the best mixture composition and the optimal process temperatures are determined simultaneously. Furthermore, comprehensive design specifications for both crystallisation and isolation units, such as the miscibility of crystallisation and wash solvents, their environmental impact, and health and safety metrics, are investigated. The design method is applied to identifying potential high-performance solvent blends for the purification of mefenamic acid, while removing an impurity, chlorobenzoic acid, from the system.
Original languageEnglish
Title of host publication30th European Symposium on Computer Aided Process Engineering
EditorsSauro Pierucci, Flavio Manenti, Giulia Luisa Bozzano, Davide Manca
Place of PublicationAmsterdam, Netherlands
Number of pages6
Publication statusPublished - 19 Oct 2020

Publication series

NameComputer Aided Chemical Engineering
ISSN (Print)1570-7946


  • crystallisation
  • isolation
  • CAMbD
  • solventblends
  • mefenamic acid


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