Advanced

Dynamic Multi-Objective Optimization of Batch Chromatographic Separation Processes

Holmqvist, Anders LU ; Magnusson, Fredrik LU and Nilsson, Bernt LU (2015) 12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering In Computer Aided Chemical Engineering 37. p.815-820
Abstract
This contribution presents a novel offline dynamic multi-objective optimization framework for high-pressure liquid chromatographic (HPLC) processes in batch elution mode. The framework allows for optimization of general elution trajectories parametrized with piecewise constant control signals. It is based on a simultaneous method where both the control and state variables are fully discretized in the temporal domain, using orthogonal collocations on finite elements, and the state variables are discretized in the spatial domain, using a finite volume weighted essentially non-oscillatory (WENO) scheme. The resulting finite dimensional nonlinear program (NLP) is solved using a primal-dual interior point method and automatic differentiation... (More)
This contribution presents a novel offline dynamic multi-objective optimization framework for high-pressure liquid chromatographic (HPLC) processes in batch elution mode. The framework allows for optimization of general elution trajectories parametrized with piecewise constant control signals. It is based on a simultaneous method where both the control and state variables are fully discretized in the temporal domain, using orthogonal collocations on finite elements, and the state variables are discretized in the spatial domain, using a finite volume weighted essentially non-oscillatory (WENO) scheme. The resulting finite dimensional nonlinear program (NLP) is solved using a primal-dual interior point method and automatic differentiation techniques. The advantages of this open-loop optimal control methodology are highlighted through the solution of a challenging ternary complex mixture separation problem for a hydrophobic interaction chromatography (HIC) system. For a bi-objective optimization of the target component productivity and yield, subject to a purity constraint, the set of Pareto solutions generated with general elution trajectories showed considerable improvement in the productivity objective when compared to the Pareto set obtained using conventional linear elution trajectories. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Chapter in Book/Report/Conference proceeding
publication status
published
subject
keywords
Batch chromatography, Dynamic multi-objective optimization, Collocation
in
Computer Aided Chemical Engineering
editor
Gernaey, Krist V.; Huusom, Jakob K.; Gani, Rafiqul; ; and
volume
37
pages
6 pages
publisher
Elsevier
conference name
12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering
external identifiers
  • wos:000366889500131
  • scopus:84940514197
ISSN
1570-7946
ISBN
978-0-444-63429-0
DOI
10.1016/B978-0-444-63578-5.50131-6
project
collocation
LCCC
language
English
LU publication?
yes
id
cbbcbd00-fbc8-43c5-a4ce-20867d96c3d1 (old id 7369888)
alternative location
http://www.sciencedirect.com/science/article/pii/B9780444635785501316
date added to LUP
2015-06-23 17:12:16
date last changed
2017-02-05 04:05:36
@inproceedings{cbbcbd00-fbc8-43c5-a4ce-20867d96c3d1,
  abstract     = {This contribution presents a novel offline dynamic multi-objective optimization framework for high-pressure liquid chromatographic (HPLC) processes in batch elution mode. The framework allows for optimization of general elution trajectories parametrized with piecewise constant control signals. It is based on a simultaneous method where both the control and state variables are fully discretized in the temporal domain, using orthogonal collocations on finite elements, and the state variables are discretized in the spatial domain, using a finite volume weighted essentially non-oscillatory (WENO) scheme. The resulting finite dimensional nonlinear program (NLP) is solved using a primal-dual interior point method and automatic differentiation techniques. The advantages of this open-loop optimal control methodology are highlighted through the solution of a challenging ternary complex mixture separation problem for a hydrophobic interaction chromatography (HIC) system. For a bi-objective optimization of the target component productivity and yield, subject to a purity constraint, the set of Pareto solutions generated with general elution trajectories showed considerable improvement in the productivity objective when compared to the Pareto set obtained using conventional linear elution trajectories.},
  author       = {Holmqvist, Anders and Magnusson, Fredrik and Nilsson, Bernt},
  booktitle    = {Computer Aided Chemical Engineering},
  editor       = {Gernaey, Krist V. and Huusom, Jakob K. and Gani, Rafiqul},
  isbn         = {978-0-444-63429-0},
  issn         = {1570-7946},
  keyword      = {Batch chromatography,Dynamic multi-objective optimization,Collocation},
  language     = {eng},
  pages        = {815--820},
  publisher    = {Elsevier},
  title        = {Dynamic Multi-Objective Optimization of Batch Chromatographic Separation Processes},
  url          = {http://dx.doi.org/10.1016/B978-0-444-63578-5.50131-6},
  volume       = {37},
  year         = {2015},
}