A Systematic Molecular Design Framework with the Consideration of Competing Solvent Recovery Processes

Jecksin Ooi, Denny K. S. Ng, Nishanth G. Chemmangattuvalappil*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)
37 Downloads (Pure)


This Article presents a Computer Aided Molecular Design (CAMD) framework that considers both the solute extraction and the solvent recovery steps simultaneously during the solvent design. The choice of a solvent has a significant role not only on the effectiveness of the process, but also on the safety, health, and environmental impact. In addition, the energy required for solvent regeneration is dependent on both the chosen solvent and its recovery techniques. Therefore, we have incorporated physicochemical property targets, safety, health, and environmental (SHE) aspects and utilities cost needed to recover the solvent during the design stage. Fuzzy Analytic Hierarchy Process (FAHP) weighting approach is applied to assign consistent weights to the multiple objective functions. Through this approach, the designed solvents with favorable functionalities can be recovered through an economically efficient and environment friendly process. The developed methodology is used to design a solvent to be used in palm oil industry for residual oil extraction from palm pressed fiber.

Original languageEnglish
Pages (from-to)13210-13226
Number of pages17
JournalIndustrial and Engineering Chemistry Research
Issue number29
Early online date28 Jun 2019
Publication statusPublished - 24 Jul 2019

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Industrial and Manufacturing Engineering


Dive into the research topics of 'A Systematic Molecular Design Framework with the Consideration of Competing Solvent Recovery Processes'. Together they form a unique fingerprint.

Cite this