Abstract
This paper deals with the deterministic global optimization of hybrid distillation/melt-crystallization processes for closely boiling mixtures. An algorithm is presented that exploits the problem specific structure of continuous, counter-current distillation to reduce the domain of the corresponding mixed-integer nonlinear program (MINLP). We apply a bound tightening technique based on the explicit computation of extreme column solution profiles, which enclose all possible solutions of the distillation column model. A relaxed MINLP model formulation is then used to exclude several non-optimal and infeasible column configurations. The numerical performance of the proposed algorithm is demonstrated on a test series of stand-alone distillation column processes and hybrid separation processes.
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This hint was recommended to us by the BARON team.
References
Achterberg T (2007) Constraint integer programming. Ph.D. thesis, Technische Universität Berlin
Adams WP, Forrester RJ (2007) Linear forms of nonlinear expressions: new insights on old ideas. Oper Res Lett 35(4):510–518
Adjiman CS, Dallwig S, Floudas CA, Neumaier A (1998) A global optimization method, \(\alpha \)BB, for general twice-differentiable constrained NLPs - I. Theoretical advances. Comput Chem Eng 22:1137–1158
Al-Khayyal FA, Falk JE (1983) Jointly constrained biconvex programming. Math Oper Res 8(2):273–286
Ballerstein M, Kienle A, Kunde C, Michaels D, Weismantel R (2011) Towards global optimization of combined distillation-crystallization processes for the separation of closely boiling mixtures. In: Pistikopoulos EN, Georgiadis MC, Kokossis AC (eds) 21th European symposium on computer aided process engineering—ESCAPE 21. Elsevier, Amsterdam, pp 552–556
Ballerstein M, Michaels D, Seidel-Morgenstern A, Weismantel R (2010) A theoretical study of continuous counter-current chromatography for adsorption isotherms with inflection points. Comput Chem Eng 34(4):447–459
Barttfeld M, Aguirre PA (2002) Optimal synthesis of multicomponent zeotropic distillation processes. 1. Preprocessing phase and rigorous optimization for a single unit. Ind Eng Chem Res 41(21):5298–5307
Barttfeld M, Aguirre PA (2003) Optimal synthesis of multicomponent zeotropic distillation processes. 2. Preprocessing phase and rigorous optimization of efficient sequences. Ind Eng Chem Res 42(14):3441–3457
Bausa J, Watzdorf R, Marquardt W (1998) Shortcut methods for nonideal multicomponent distillation: 1. Simple columns. AIChE J 44(10):2181–2198
Belotti P, Lee J, Liberti L, Margot F, Wächter A (2009) Branching and bounds tightening techniques for non-convex MINLP. Optim Methods Softw 24:597–634
Bergamini ML, Grossmann I, Scenna N, Aguirre P (2008) An improved piecewise outer-approximation algorithm for the global optimization of MINLP models involving concave and bilinear terms. Comput Chem Eng 32(3):477–493
Caprara A, Locatelli M (2010) Global optimization problems and domain reduction strategies. Math Program 125:123–137
Domes F, Neumaier A (2010) Constraint propagation on quadratic constraints. Constraints 15(3):404–429
Franke MB, Nowotny N, Ndocko EN, Gorak A, Strube J (2008) Design and optimization of a hybrid distillation/melt crystallization process. AIChE J 54(11):2925–2942
GAMS Development Corp (2009) GAMS—the solver manuals. Washington, DC
Gangadwala J, Haus UU, Jach M, Kienle A, Michaels D, Weismantel R (2008) Global analysis of combined reaction distillation processes. Comput Chem Eng 32(1–2):343–355
Gangadwala J, Kienle A, Haus UU, Michaels D, Weismantel R (2006) Global bounds on optimal solutions for the production of 2,3-dimethylbutene-1. Ind Eng Chem Res 45(7):2261–2271
Grossmann IE, Aguirre PA, Barttfeld M (2005) Optimal synthesis of complex distillation columns using rigorous models. Comput Chem Eng 29(6):1203–1215
Hansen P, Jaumard B, Lu SH (1991) An analytical approach to global optimization. Math Programm 52(1–3):227–254. doi:10.1007/BF01582889
Henley EJ, Seader JD (1981) Equilibrium-stage separation operations in chemical engineering. Wiley, Wiley series in chemical engineering, New York
Hooker JN (2002) Logic, optimization, and constraint programming. INFORMS J Comput 14:295–321
Jach M, Michaels D, Weismantel R (2008) The convex envelope of (\(n\)−\(1\))-convex functions. SIAM J Optim 19(3):1451–1466
Kearfott RB (2006) Discussion and empirical comparisons of linear relaxations and alternate techniques in validated deterministic global optimization. Optim Methods Softw 21(5):715–731
Khajavirad A, Sahidinidis NV (2011) Convex envelopes generated from finitely many compact convex sets. Math Programm A. doi:10.1007/s10107-011-0496-5
Khajavirad A, Sahidinidis NV (2012) Convex envelopes of products of convex and component-wise concave functions. J Glob Optim 52:391–409
Krämer K, Kossack S, Marquardt W (2009) Efficient optimization-based design of distillation processes for homogenous azeotropic mixtures. Ind Eng Chem Res 48(14):6749–6764
Lebbah Y, Michel C, Rueher M (2005) A rigorous global filtering algorithm for quadratic constraints. Constraints 10:47–65
Levy SG, Van Dongen DB, Doherty MF (1985) Design and synthesis of homogeneous azeotropic distillations. 2. Minimum reflux calculations for nonideal and azeotropic columns. Ind Eng Chem Fundam 24(4):463–474
Linderoth J (2005) A simplicial branch-and-bound algorithm for solving quadratically constrained quadratic programs. Math Program 103(2, Ser. B):251–282
Lucia A, Amale A, Taylor R (2008) Distillation pinch points and more. Comput Chem Eng 32:1350–1372
McCormick GP (1976) Computability of global solutions to factorable nonconvex programs. I: convex underestimating problems. Math Program 10:147–175
Mersmann A, Kind M, Stichlmair J (2011) Therm Sep Technol. Springer, Heidelberg
Meyer CA, Floudas CA (2005) Convex envelopes for edge-concave functions. Math Program 103:207–224
Micovic J, Beierling T, Ruether F, Kreis P, Górak A (2011) Hybrid separation processes for purification of close boiling mixtures in hydroformylation of long chain olefins. In: 8th European congress of chemical engineering (ECCE-8), September 25–29, ICC Berlin, Germany
Misener R, Floudas C (2013) Glomiqo: global mixed-integer quadratic optimizer. J Glob Optim 57(1):3–50. doi:10.1007/s10898-012-9874-7
Müller M, Merchan V, Arellano-Garcia H, Schomäcker R, Wozny G (2011) A novel process design for the hydroformylation of higher alkenes. Comput Aided Chem Eng 29:226–230
Ryoo HS, Sahinidis NV (1996) A branch-and-reduce approach to global optimization. J Glob Optim 8:107–138
Schäfer E, Brunsch Y, Sadowski G, Behr A (2012) Hydroformylation of 1-dodecene in the thermomorphic solvent system dimethylformamide/decane. Phase behavior-reaction performance-catalyst recycling. Ind Eng Chem Res 51(31):10,296–10,306
Skiborowski M, Harwardt A, Marquardt W (2013) Conceptual design of distillation-based hybrid separation processes. Annu Rev Chem Biomol Eng. doi:10.1146/annurev-chembioeng-061010-114129
Tawarmalani M, Sahinidis NV (2001) Semidefinite relaxations of fractional programs via novel convexification techniques. J Glob Optim 20:137–158
Tawarmalani M, Sahinidis NV (2004) Global optimization of mixed-integer nonlinear programs: a theoretical and computational study. Math Program A 99(3):563–591
Tawarmalani M, Sahinidis NV (2005) A polyhedral branch-and-cut approach to global optimization. Math Program 103:225–249
Viswanathan J, Grossmann IE (1990) A combined penalty function and outer-approximation method for MINLP optimization. Comput Chem Eng 14(7):769–782
Viswanathan J, Grossmann IE (1993) Optimal feed locations and number of trays for distillation columns with multiple feeds. Ind Eng Chem Res 32(11):2942–2949
Yeomans H, Grossmann IE (2000) Disjunctive programming models for the optimal design of distillation columns and separation sequences. Ind Eng Chem Res 39(6):1637–1648
Acknowledgments
This work is part of the Collaborative Research Centre “Integrated Chemical Processes in Liquid Multiphase Systems” funded by the German Research Foundation (DFG). Financial support by the Deutsche Forschungsgemeinschaft (DFG) is gratefully acknowledged through TRR 63. Especially, the first and the fourth authors thank the DFG for its financial support. Main parts of the submitted version has been finished while the fourth author was at the Institute for Operations Research at ETH Zurich and financially supported by DFG (TRR 63).
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Martin Ballerstein was formally at Institut für Operations Research, Eidgenössische Technische Hochschule Zürich, Rämistrasse 101, 8092 Zurich, Switzerland.
Appendix: A List of possible process configurations
Appendix: A List of possible process configurations
See Fig. 5.
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Ballerstein, M., Kienle, A., Kunde, C. et al. Deterministic global optimization of binary hybrid distillation/melt-crystallization processes based on relaxed MINLP formulations. Optim Eng 16, 409–440 (2015). https://doi.org/10.1007/s11081-014-9267-5
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DOI: https://doi.org/10.1007/s11081-014-9267-5
Keywords
- Distillation
- Melt-crystallization
- Deterministic global optimization
- Relaxed MINLP formulation
- Bound tightening