The Solvent Selection framework: solvents for organic synthesis, separation processes and ionic-organic synthesis

Igor Mitrofanov, Sascha Sansonetti, Jens Abildskov, Gürkan Sin, Rafiqul Gani

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Abstract

This paper presents a systematic integrated framework for solvent selection and solvent design. The framework is divided into several modules, which can tackle specific problems in various solvent-based applications. In particular, three modules corresponding to the following solvent selection problems are presented: 1) solvent selection and design for organic synthesis, 2) solvent screening and design of solvent mixtures for pharmaceutical applications and 3) ionic liquids selection and design as solvents. The application of the framework is highlighted successfully through case studies focusing on solvent replacement problem in organic synthesis and solvent mixture design for ibuprofen respectively.
Original languageEnglish
Title of host publicationProceedings of the 22nd European Symposium on Computer Aided Process Engineering
PublisherElsevier
Publication date2012
Pages762-766
Publication statusPublished - 2012
Event22nd European Symposium on Computer Aided Process Engineering - London, United Kingdom
Duration: 17 Jun 201222 Jun 2012

Conference

Conference22nd European Symposium on Computer Aided Process Engineering
CountryUnited Kingdom
CityLondon
Period17/06/201222/06/2012
SeriesComputer Aided Chemical Engineering
Volume30
ISSN1570-7946

Keywords

  • API
  • CAMD
  • Crystallization
  • Solvent selection framework
  • Solubility

Cite this

Mitrofanov, I., Sansonetti, S., Abildskov, J., Sin, G., & Gani, R. (2012). The Solvent Selection framework: solvents for organic synthesis, separation processes and ionic-organic synthesis. In Proceedings of the 22nd European Symposium on Computer Aided Process Engineering (pp. 762-766). Elsevier. Computer Aided Chemical Engineering, Vol.. 30