Repository logo
  • Log In
    Log in via Symplectic to deposit your publication(s).
Repository logo
  • About
  • Communities & Collections
  • Advanced Search
  • Statistics
  • Log In
    Log in via Symplectic to deposit your publication(s).
  1. Home
  2. Faculty of Engineering
  3. Faculty of Engineering - Research Data
  4. The formulation of optimal mixtures with Generalized Disjunctive Programming: A solvent design case study
 
  • Details
The formulation of optimal mixtures with Generalized Disjunctive Programming: A solvent design case study
Author(s)
Jonuzaj, S
Akula, PT
Kleniati, P
Adjiman, CS
Type
Dataset
Abstract
Systematic approaches for the design of mixtures, based on a computer-aided mixture/blend design (CAMbD) framework, have the potential to deliver better products and processes. In most existing methodologies the number of mixture ingredients is fixed (usually a binary mixture) and the identity of at least one compound is chosen from a given set of candidate molecules. A novel CAMbD methodology is presented for formulating the general mixture design problem where the number, identity and composition of mixture constituents are optimized simultaneously. To this end, generalized disjunctive programming is integrated into the CAMbD framework to formulate the discrete choices. This generic methodology is applied to a case study to find an optimal solvent mixture that maximizes the solubility of ibuprofen. The best performance in this case study is obtained with a solvent mixture, showing the benefit of using mixtures instead of pure solvents to attain enhanced behavior.
Date Issued
2015-12-08
Citation
2015
URI
http://hdl.handle.net/10044/1/38810
DOI
https://zenodo.org/record/35234#.V59iHKLCdBw
Is Referenced By
10.1002/aic.15122
Subjects
Generalized Disjunctive Programming
About
Spiral Depositing with Spiral Publishing with Spiral Symplectic
Contact us
Open access team Report an issue
Other Services
Scholarly Communications Library Services
logo

Imperial College London

South Kensington Campus

London SW7 2AZ, UK

tel: +44 (0)20 7589 5111

Accessibility Modern slavery statement Cookie Policy

Built with DSpace-CRIS software - Extension maintained and optimized by 4Science

  • Cookie settings
  • Privacy policy
  • End User Agreement
  • Send Feedback