- Email: [email protected]
Editorial note: Best paper of 2010 award
Computers and Chemical Engineering 41 (2012) iii–iv
Contents lists available at SciVerse ScienceDirect
Computers and Chemical Engineering journal homepage: www.elsevier.com/locate/compchemeng
Editorial
Editorial note: Best paper of 2010 award
The Editorial Advisory Board of the Journal has assessed the papers published in Volume 34 by means of a three stage process of nomination and balloting. We are pleased to announce that the 2010 Best Paper of the Year Award goes to Dr. Arndt Hartwich and Professor Wolfgang Marquardt for their paper entitled “Dynamic optimization of the load change of a large-scale chemical plant by adaptive single shooting”, (Vol 34, Issue 11, 1873–1889, 2010). Our hearty congratulations to the co-authors! This paper addresses the computational challenges in the application of dynamic optimization for the determination of achievable performance metrics for continuous chemical processes under transient conditions from load or grade changes. Performance assessment depends on the computation of optimal trajectories for selected scenarios that properly reflect the operational envelope. However, realistic industrial problems involve very large-scale dynamic process models which make such computations challenging in practice, requiring highly-efficient and robust optimization algorithms. In this work, Hartwich and Marquardt demonstrate the feasibility of operability assessment by means of dynamic optimization in an industrial case study involving a large-scale process model comprising about 12,000 differential-algebraic model equations. The numerical strategy employed relies on a single shooting method combined with adaptive control grid refinement to minimize the complexity of the numerical problem to the extent possible. This algorithm proves to be the key to success and saves about 95% of computational complexity in comparison to a conventional equidistant discretization. Thus, this paper provides an important demonstration of the application of dynamic optimization methodology to a large-scale,
0098-1354/$ – see front matter http://dx.doi.org/10.1016/S0098-1354(12)00122-6
industrially significant, problem through algorithm engineering. The Editorial Advisory Board selected this paper for this important advance. Arndt Hartwich studied mechanical engineering focusing on process systems engineering at RWTH Aachen University from 1999 until 2004. His diploma thesis dealt with modeling and optimization of a chemical process of Bayer in Leverkusen. Later, he worked as a research associate at Aachener Verfahrenstechnik – Process Systems Engineering at RWTH Aachen University from 2004 until 2009. His research covered dynamic optimization and nonlinear model-predictive control. Funded by Shell Global Solutions in Amsterdam, BASF AG in Ludwigshafen as well as the German Research School for Simulation Sciences GmbH, he studied the application of novel methods to industrial case studies. Since 2009, he is employed in the department of Advanced Manufacturing Solutions of Bayer Technology Services GmbH. His work is mainly focused on energy efficiency and Six Sigma projects.
Wolfgang Marquardt studied Chemical Engineering at the University of Stuttgart, Germany, where he earned his Dipl.Ing. and PhD degrees in 1982 and 1988. After postdoctoral appointments at Stuttgart and UW-Madison, WI, USA, he was appointed as a full professor of process systems engineering at RWTH University Aachen, Germany, in 1992. Wolfgang has held numerous positions in research councils and advisory bodies. He has been a member of the Senate of the German Science Foundation since 2004. He has been awarded the LeibnizPreis of the German Science Foundation DFG in 2001. In 2007, he was appointed as an IFAC Fellow. His wide research interests cover modelling and analysis of chemical process systems, process synthesis, process operations and control, model-based experimental analysis, numerical methods for dynamic simulation and optimization, and IT methods and tools for the support of model-based design processes.
iv
Editorial / Computers and Chemical Engineering 41 (2012) iii–iv
List of Best Paper Award winners from 2000 – present. Year*
Authors
Title
Issue details
2010
A. Hartwich and W. Marquardt
34(11), 1873
2009
J. M. Harrold and R. S. Parker
2008
M. R. Somayaji, M. Xenos, L. Zhang, M. Mekarski and A. A. Linninger S. Qamar, A. Ashfaq, G. Warnecke, I. Angelov, M. P. Elsner and A. Seidel-Morgenstern V. Venkatasubramanian, C Zhao, G. Joglekar, A. Jain, L. Hailemariam, P. Suresh, P. Akkisetty, K. Morris and G. V. Reklaitis F. J. Doyle III, R. Gunawan, N. Bagheri, H. Mirsky and T. L. To S. Skogestad
Dynamic optimization of the load change of a large-scale chemical plant by adaptive single shooting Clinically relevant cancer chemotherapy dose scheduling via mixed-integer optimization Systematic design of drug delivery therapies Adaptive high-resolution schemes for multidimensional population balances in crystallization processes Ontological informatics infrastructure for pharmaceutical product development and manufacturing
31(10), 1296
2007 2006 (joint winners)
2004 (joint winners)
P. I. Barton and C. K. Lee 2003
B. Srinivasan, S. Palanki and D. Bonvin
2002
N. Julka, I. Karimi and R. Srinivasan
2001
S. B. Gadewar, M. F. Doherty and M. F. Malone
2000
S. Lee and I. E. Grossmann
*
33(12), 2042 32(1–2), 89
30(10–12), 1482
Circadian rhythm: A natural, robust, multi-scale control system
30(10–12), 1700
Near-optimal operation by self-optimizing control: From process control to marathon running and business systems Design of process operations using hybrid dynamic optimization Dynamic optimization of batch processes: I. Characterization of the nominal solution Agent-based supply chain management—2: A refinery application A systematic method for reaction invariants and mole balances for complex chemistries New algorithms for nonlinear generalized disjunctive programming
29(1), 127 28(6–7), 955 27(1), 1 26(12), 1777 25(9–10), 1999 24(9–10), 2125
Indicates publication year.
Editor Venkat Venkatasubramanian Purdue University, School of Chemical Engineering, 480 Stadium Mall Drive, West Lafayette, Indiana, USA Editor-in-Chief Rafiqul Gani ∗ Technical University of Denmark, CAPEC, Department of Chemical and Biochemical Engineering, Soltøfts Plads, Building 229, DK-2800 Lyngby, Denmark ∗ Corresponding
author. E-mail address: [email protected] (R. Gani)
Contents lists available at SciVerse ScienceDirect
Computers and Chemical Engineering journal homepage: www.elsevier.com/locate/compchemeng
Editorial
Editorial note: Best paper of 2010 award
The Editorial Advisory Board of the Journal has assessed the papers published in Volume 34 by means of a three stage process of nomination and balloting. We are pleased to announce that the 2010 Best Paper of the Year Award goes to Dr. Arndt Hartwich and Professor Wolfgang Marquardt for their paper entitled “Dynamic optimization of the load change of a large-scale chemical plant by adaptive single shooting”, (Vol 34, Issue 11, 1873–1889, 2010). Our hearty congratulations to the co-authors! This paper addresses the computational challenges in the application of dynamic optimization for the determination of achievable performance metrics for continuous chemical processes under transient conditions from load or grade changes. Performance assessment depends on the computation of optimal trajectories for selected scenarios that properly reflect the operational envelope. However, realistic industrial problems involve very large-scale dynamic process models which make such computations challenging in practice, requiring highly-efficient and robust optimization algorithms. In this work, Hartwich and Marquardt demonstrate the feasibility of operability assessment by means of dynamic optimization in an industrial case study involving a large-scale process model comprising about 12,000 differential-algebraic model equations. The numerical strategy employed relies on a single shooting method combined with adaptive control grid refinement to minimize the complexity of the numerical problem to the extent possible. This algorithm proves to be the key to success and saves about 95% of computational complexity in comparison to a conventional equidistant discretization. Thus, this paper provides an important demonstration of the application of dynamic optimization methodology to a large-scale,
0098-1354/$ – see front matter http://dx.doi.org/10.1016/S0098-1354(12)00122-6
industrially significant, problem through algorithm engineering. The Editorial Advisory Board selected this paper for this important advance. Arndt Hartwich studied mechanical engineering focusing on process systems engineering at RWTH Aachen University from 1999 until 2004. His diploma thesis dealt with modeling and optimization of a chemical process of Bayer in Leverkusen. Later, he worked as a research associate at Aachener Verfahrenstechnik – Process Systems Engineering at RWTH Aachen University from 2004 until 2009. His research covered dynamic optimization and nonlinear model-predictive control. Funded by Shell Global Solutions in Amsterdam, BASF AG in Ludwigshafen as well as the German Research School for Simulation Sciences GmbH, he studied the application of novel methods to industrial case studies. Since 2009, he is employed in the department of Advanced Manufacturing Solutions of Bayer Technology Services GmbH. His work is mainly focused on energy efficiency and Six Sigma projects.
Wolfgang Marquardt studied Chemical Engineering at the University of Stuttgart, Germany, where he earned his Dipl.Ing. and PhD degrees in 1982 and 1988. After postdoctoral appointments at Stuttgart and UW-Madison, WI, USA, he was appointed as a full professor of process systems engineering at RWTH University Aachen, Germany, in 1992. Wolfgang has held numerous positions in research councils and advisory bodies. He has been a member of the Senate of the German Science Foundation since 2004. He has been awarded the LeibnizPreis of the German Science Foundation DFG in 2001. In 2007, he was appointed as an IFAC Fellow. His wide research interests cover modelling and analysis of chemical process systems, process synthesis, process operations and control, model-based experimental analysis, numerical methods for dynamic simulation and optimization, and IT methods and tools for the support of model-based design processes.
iv
Editorial / Computers and Chemical Engineering 41 (2012) iii–iv
List of Best Paper Award winners from 2000 – present. Year*
Authors
Title
Issue details
2010
A. Hartwich and W. Marquardt
34(11), 1873
2009
J. M. Harrold and R. S. Parker
2008
M. R. Somayaji, M. Xenos, L. Zhang, M. Mekarski and A. A. Linninger S. Qamar, A. Ashfaq, G. Warnecke, I. Angelov, M. P. Elsner and A. Seidel-Morgenstern V. Venkatasubramanian, C Zhao, G. Joglekar, A. Jain, L. Hailemariam, P. Suresh, P. Akkisetty, K. Morris and G. V. Reklaitis F. J. Doyle III, R. Gunawan, N. Bagheri, H. Mirsky and T. L. To S. Skogestad
Dynamic optimization of the load change of a large-scale chemical plant by adaptive single shooting Clinically relevant cancer chemotherapy dose scheduling via mixed-integer optimization Systematic design of drug delivery therapies Adaptive high-resolution schemes for multidimensional population balances in crystallization processes Ontological informatics infrastructure for pharmaceutical product development and manufacturing
31(10), 1296
2007 2006 (joint winners)
2004 (joint winners)
P. I. Barton and C. K. Lee 2003
B. Srinivasan, S. Palanki and D. Bonvin
2002
N. Julka, I. Karimi and R. Srinivasan
2001
S. B. Gadewar, M. F. Doherty and M. F. Malone
2000
S. Lee and I. E. Grossmann
*
33(12), 2042 32(1–2), 89
30(10–12), 1482
Circadian rhythm: A natural, robust, multi-scale control system
30(10–12), 1700
Near-optimal operation by self-optimizing control: From process control to marathon running and business systems Design of process operations using hybrid dynamic optimization Dynamic optimization of batch processes: I. Characterization of the nominal solution Agent-based supply chain management—2: A refinery application A systematic method for reaction invariants and mole balances for complex chemistries New algorithms for nonlinear generalized disjunctive programming
29(1), 127 28(6–7), 955 27(1), 1 26(12), 1777 25(9–10), 1999 24(9–10), 2125
Indicates publication year.
Editor Venkat Venkatasubramanian Purdue University, School of Chemical Engineering, 480 Stadium Mall Drive, West Lafayette, Indiana, USA Editor-in-Chief Rafiqul Gani ∗ Technical University of Denmark, CAPEC, Department of Chemical and Biochemical Engineering, Soltøfts Plads, Building 229, DK-2800 Lyngby, Denmark ∗ Corresponding
author. E-mail address: [email protected] (R. Gani)