Designing optimal mixtures using generalized disjunctive programming: Hull relaxations
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Published version
Author(s)
Jonuzaj, S
Adjiman, CSJ
Type
Journal Article
Abstract
A general modeling framework for mixture design problems, which integrates Generalized Disjunctive Programming (GDP) into the Computer-Aided Mixture/blend Design (CAMbD) framework, was recently proposed (S. Jonuzaj, P.T. Akula, P.-M. Kleniati, C.S. Adjiman, 2016. AIChE Journal 62, 1616–1633). In this paper we derive Hull Relaxations (HR) of GDP mixture design problems as an alternative to the big-M (BM) approach presented in this earlier work. We show that in restricted mixture design problems, where the number of components is fixed and their identities and compositions are optimized, BM and HR formulations are identical. For general mixture design problems, where the optimal number of mixture components is also determined, a generic approach is employed to enable the derivation and solution of the HR formulation for problems involving functions that are not defined at zero (e.g., logarithms). The design methodology is applied successfully to two solvent design case studies: the maximization of the solubility of a drug and the separation of acetic acid from water in a liquid-liquid extraction process. Promising solvent mixtures are identified in both case studies. The HR and BM approaches are found to be effective for the formulation and solution of mixture design problems, especially via the general design problem.
Date Issued
2016-08-10
Date Acceptance
2016-08-05
Citation
Chemical Engineering Science, 2016, 159, pp.106-130
ISSN
1873-4405
Publisher
Elsevier
Start Page
106
End Page
130
Journal / Book Title
Chemical Engineering Science
Volume
159
Copyright Statement
© 2016 The Authors. Published by Elsevier Ltd.
This is an open access article under the CC BY license (http://creativecommons.org/licenses/BY/4.0/).
This is an open access article under the CC BY license (http://creativecommons.org/licenses/BY/4.0/).
License URL
Sponsor
Engineering & Physical Science Research Council (EPSRC)
Grant Number
EP/J003840/1
Subjects
Chemical Engineering
0904 Chemical Engineering
0913 Mechanical Engineering
Publication Status
Published