A Convex Hull Formulation for the Design of Optimal Mixtures
File(s)Jonuzaj-and-Adjiman_Escape26.pdf (155.78 KB)
Accepted version
Author(s)
Jonuzaj, S
Adjiman, CS
Type
Conference Paper
Abstract
The design of mixtures plays an important role in improving process and product performance
but is challenging because it requires finding the optimal number, identities and compositions of
mixture components and using nonlinear property models. To address this, a general modeling
framework for mixture design problems is presented. It integrates Generalized Disjunctive Programming
(GDP) into Computer-Aided Mixture/blend Design via Hull Reformulation (HR). The
design methodology is applied successfully to a case study involving solid-liquid equilibrium calculations
to find an optimal solvent mixture that dissolves ibuprofen. The results show that the
proposed GDP-based approach appears very promising for the design of mixture problems. The
HR approach is used to solve mixture problems successfully. Its overall computational efficiency
is found to be better than that of Big-M approach. Numerical difficulties arising from the absence
of components in the final mixture can be avoided, leading to computationally efficient solutions.
but is challenging because it requires finding the optimal number, identities and compositions of
mixture components and using nonlinear property models. To address this, a general modeling
framework for mixture design problems is presented. It integrates Generalized Disjunctive Programming
(GDP) into Computer-Aided Mixture/blend Design via Hull Reformulation (HR). The
design methodology is applied successfully to a case study involving solid-liquid equilibrium calculations
to find an optimal solvent mixture that dissolves ibuprofen. The results show that the
proposed GDP-based approach appears very promising for the design of mixture problems. The
HR approach is used to solve mixture problems successfully. Its overall computational efficiency
is found to be better than that of Big-M approach. Numerical difficulties arising from the absence
of components in the final mixture can be avoided, leading to computationally efficient solutions.
Date Issued
2016-06-25
Date Acceptance
2016-02-23
Citation
Computer Aided Chemical Engineering, 2016, 38, pp.2325-2330
ISSN
1570-7946
Publisher
Elsevier
Start Page
2325
End Page
2330
Journal / Book Title
Computer Aided Chemical Engineering
Volume
38
Copyright Statement
© 2016 Elsevier. Licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/
Sponsor
Engineering & Physical Science Research Council (EPSRC)
Grant Number
EP/J003840/1
Source
26th European Symposium on Computer Aided Process Engineering
Subjects
Chemical Engineering
Publication Status
Published
Start Date
2016-06-12
Finish Date
2016-06-15
Coverage Spatial
Portorož Slovenia