Computer-Aided Design of Sustainable Separations: CADSep

The research team will develop a fast and automated approach to identify the solvent mixtures that give the best separation
of pharmaceutical compounds. This can mean finding the best mixture amongst existing ones or inventing a new mixture
for a particular application. This work can have a large impact on pharmaceutical discovery and manufacturing, as the fast
identification of good solvent systems will help to test more potential drug compounds and to explore a larger number of
manufacturing routes.
Key aspects of the work will include: (i) developing predictive models of the physical properties of pharmaceutical
compounds in a wide range of solvent mixtures, (ii) developing an algorithm for solvent mixture identification, (iii) testing
these advances by working with industrial partners.

The pharmaceutical and fine chemicals industries will benefit from the research as they can access improved methods for
property prediction and a methodology for fast separation design. This has the potential to speed up the assessment of
new compounds and the development of manufacturing process, making the industry more competitive.
The project partners will play a key role in ensuring the impact of the research beyond the duration of the project. We will
target a broader audience through publications, presentations at international conferences and meetings of the Centre for
Process Systems Engineering.