Dynamic Multi-Objective Optimization of Batch Chromatographic Separation Processes

Anders Holmqvist; Fredrik Magnusson; Bernt Nilsson

doi:10.1016/B978-0-444-63578-5.50131-6

Dynamic Multi-Objective Optimization of Batch Chromatographic Separation Processes

Anders Holmqvist, Fredrik Magnusson, Bernt Nilsson

Research output: Chapter in Book/Report/Conference proceeding › Paper in conference proceeding › peer-review

290 Downloads (Pure)

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.

Original language	English
Title of host publication	Computer Aided Chemical Engineering
Editors	Krist V. Gernaey, Jakob K. Huusom, Rafiqul Gani
Publisher	Elsevier
Pages	815-820
Number of pages	6
Volume	37
ISBN (Print)	978-0-444-63429-0
DOIs	https://doi.org/10.1016/B978-0-444-63578-5.50131-6
Publication status	Published - 2015
Event	12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering - Copenhagen, Denmark Duration: 2015 May 31 → 2015 Jun 4

Publication series

Name
Volume	37
ISSN (Print)	1570-7946

Conference

Conference	12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering
Country/Territory	Denmark
City	Copenhagen
Period	2015/05/31 → 2015/06/04

Subject classification (UKÄ)

Control Engineering
Chemical Engineering

Free keywords

Batch chromatography
Dynamic multi-objective optimization
Collocation

Access to Document

10.1016/B978-0-444-63578-5.50131-6

multi_obj_chromAccepted author manuscript, 514 KBLicence: Unspecified

http://www.sciencedirect.com/science/article/pii/B9780444635785501316

1 Book chapter

Development and Optimization of a Single Column Analog Model for a Multi-Column Counter-Current Solvent Gradient Purification Process
Sellberg, A., Andersson, N., Holmqvist, A. & Nilsson, B., 2017 Oct 1, 27th European Symposium on Computer Aided Process Engineering. Espuña, A., Graells, M. & Puigjaner, L. (eds.). Barcelona, Vol. 40. p. 187-192 6 p. (Computer Aided Chemical Engineering; vol. 40).
Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

2 Finished

Numerical and Symbolic Algorithms for Dynamic Optimization
Magnusson, F., Åkesson, J., Holmqvist, A., Berntorp, K. & Andersson, C.
2012/02/01 → 2017/02/01
Project: Research
LCCC
Holmqvist, A., Andersson, N., Cervin, A., Mannesson, A., Gattami, A., Ghulchak, A., Papadopoulos, A. V., Rantzer, A., Robertsson, A., Sootla, A., THEORIN, A., Bernhardsson, B., Olofsson, B., Wittenmark, B., Grussler, C., Johnsson, C., Madjidian, D., Johannesson, E., Magnusson, F., Ståhl, F., Como, G., Chasparis, G., Turesson, G., Dressler, I., Åkesson, J., Cho, J. H., Årzén, K., Åström, K. J., Sou, K. C., Mårtensson, K., Berntorp, K., Soltesz, K., Lessard, L., Hast, M., Rönn, M., Ansbjerg Kjær, M., Maggio, M., Kristalny, M., Garpinger, O., From, P. J., Larsson, P., Giselsson, P., Johansson, R., Hägglund, T., Vladimerou, V., Romero Segovia, V., Aurelius, A., Cedersjö, G., Bür, K., Dellkrantz, M., Du, M., Amani, P., Larsson, R., Tärneberg, W., Li, Z., Yin, L., Tufvesson, F., Höst, S., Nilsson, B., Stenström, S., Andersson, J. A., Diehl, S., Dürango, J., Ghazaei Ardakani, M., Forsberg, P., Bengtsson, F., Jörntell, H., Arévalo, C., Führer, C., Andersson, C., Mohammadi, F., Ödling, P., Andersson, M., Kihl, M. & Tunestål, P.
2008/07/01 → 2018/06/30
Project: Research

Cite this

@inproceedings{cbbcbd00fbc843c5a4ce20867d96c3d1,

title = "Dynamic Multi-Objective Optimization of Batch Chromatographic Separation Processes",

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.",

keywords = "Batch chromatography, Dynamic multi-objective optimization, Collocation",

author = "Anders Holmqvist and Fredrik Magnusson and Bernt Nilsson",

year = "2015",

doi = "10.1016/B978-0-444-63578-5.50131-6",

language = "English",

isbn = "978-0-444-63429-0",

volume = "37",

publisher = "Elsevier",

pages = "815--820",

editor = "Gernaey, {Krist V.} and Huusom, {Jakob K.} and Rafiqul Gani",

booktitle = "Computer Aided Chemical Engineering",

address = "United States",

note = "12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering ; Conference date: 31-05-2015 Through 04-06-2015",

}

Holmqvist, A, Magnusson, F & Nilsson, B 2015, Dynamic Multi-Objective Optimization of Batch Chromatographic Separation Processes. in KV Gernaey, JK Huusom & R Gani (eds), Computer Aided Chemical Engineering. vol. 37, Elsevier, pp. 815-820, 12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering, Copenhagen, Denmark, 2015/05/31. https://doi.org/10.1016/B978-0-444-63578-5.50131-6

Dynamic Multi-Objective Optimization of Batch Chromatographic Separation Processes. / Holmqvist, Anders; Magnusson, Fredrik; Nilsson, Bernt.
Computer Aided Chemical Engineering. ed. / Krist V. Gernaey; Jakob K. Huusom; Rafiqul Gani. Vol. 37 Elsevier, 2015. p. 815-820.

Research output: Chapter in Book/Report/Conference proceeding › Paper in conference proceeding › peer-review

TY - GEN

T1 - Dynamic Multi-Objective Optimization of Batch Chromatographic Separation Processes

AU - Holmqvist, Anders

AU - Magnusson, Fredrik

AU - Nilsson, Bernt

PY - 2015

Y1 - 2015

N2 - 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.

AB - 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.

KW - Batch chromatography

KW - Dynamic multi-objective optimization

KW - Collocation

U2 - 10.1016/B978-0-444-63578-5.50131-6

DO - 10.1016/B978-0-444-63578-5.50131-6

M3 - Paper in conference proceeding

SN - 978-0-444-63429-0

VL - 37

SP - 815

EP - 820

BT - Computer Aided Chemical Engineering

A2 - Gernaey, Krist V.

A2 - Huusom, Jakob K.

A2 - Gani, Rafiqul

PB - Elsevier

T2 - 12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering

Y2 - 31 May 2015 through 4 June 2015

ER -

Dynamic Multi-Objective Optimization of Batch Chromatographic Separation Processes

Abstract

Publication series

Conference

Subject classification (UKÄ)

Free keywords

Access to Document

Fingerprint

Research output

Development and Optimization of a Single Column Analog Model for a Multi-Column Counter-Current Solvent Gradient Purification Process

Projects

Numerical and Symbolic Algorithms for Dynamic Optimization

LCCC

Cite this