On the development of novel chemicals using a systematic optimisation approach. Part II. Solvent design
Document Type
Article
Year
2000
Authors
Marcoulaki, E.C., Kokossis, A.C.
Source
Chemical Engineering Science, vol.55, no.13, p.2547-2561
Keywords
Computer-aided solvent design; Optimization; Product and process integration
Abstract
A new approach is presented for the optimal selection of solvents. The approach is using group contribution methods and a vector representation to formulate an optimisation problem with respect to desired properties for the solvent. The formulation can employ conceptual flowcharts or detailed flowsheets. The synthesis objectives are expressed either as a function of the solvent properties or alternatively as functions of design parameters and variables of the flowsheet. The optimisation is facilitated with a stochastic tool in the form of simulated annealing. The examples address literature problems and industrial case studies involving the design of separation enhancing materials. Applications are presented for liquid-liquid extraction processes, extractive distillation problems, retrofit designs and gas absorption processes. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.A new approach is presented for the optimal selection of solvents. The approach is using group contribution methods and a vector representation to formulate an optimization problem with respect to desired properties for the solvent. The formulation can employ conceptual flowcharts or detailed flowsheets. The synthesis objectives are expressed either as a function of the solvent properties or alternatively as functions of design parameters and variables of the flowsheet. The optimization is facilitated with a stochastic tool in the form of simulated annealing. The examples address literature problems and industrial case studies involving the design of separation enhancing materials. Applications are presented for liquid-liquid extraction processes, extractive distillation problems, retrofit designs and gas absorption processes.
