Efficient optimization-based design for the separation of heterogeneous azeotropic mixtures

Computers and Chemical Engineering

Volumn 72, Issue , 2015, Pages 34-51

  Skiborowski, Mirko ^a   Harwardt, Andreas ^a   Marquardt, Wolfgang ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

Heteroazeotropic distillation; Phase stability test; Process design; Superstructure optimization

Indexed keywords

AZEOTROPIC MIXTURE; PHASE STABILITY TESTS; SUPERSTRUCTURE OPTIMIZATION;

PROCESS DESIGN;

EID: 84908283401     PISSN: 00981354     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compchemeng.2014.03.012     Document Type: Article

References (91)

1. Baker L.E., Pierce A.C., Luks K.D. Gibbs energy analysis of phase equilibria. Society of Petroleum Engineers Journal 1982, 22(5):731-742.
2. Bardow A., Steur K., Gross J. Continuous-molecular targeting for integrated solvent and process design. Industrial & Engineering Chemistry Research 2010, 49(6):2834-2840.
3. Barttfeld M., Aguirre P.A. Optimal synthesis of multicomponent zeotropic distillation processes. 2. Preprocessing phase and rigorous optimization of efficient sequences. Industrial & Engineering Chemistry Research 2003, 42(14):3441-3457.
4. Bauer M.H. Synthese und Optimierung nichtidealer Rektifikations-prozesse 1997, Fortschrittberichte VDI, VDI Verlag, Reihe 3, Nr. 496, Düsseldorf.
5. Bauer M.H., Stichlmair J. Synthesis and optimization of distillation sequences for the separation of azeotropic mixtures. Computers & Chemical Engineering 1995, 19:15-20.
6. Bausa J., Marquardt W. Quick and reliable phase stability test in VLLE flash calculations by homotopy continuation. Computers & Chemical Engineering 2000, 24(11):2447-2456.
7. Bekiaris N., Meski G.A., Morari M. Multiple steady states in heterogeneous azeotropic distillation. Industrial & Engineering Chemistry Research 1996, 35(1):207-227.
8. Bekiaris N., Meski G.A., Radu C.M., Morari M. Multiple steady states in homogeneous azeotropic distillation. Industrial & Engineering Chemistry Research 1993, 32(9):2023-2038.
9. Bonilla-Petriciolet A., Vázquez-Román R., Iglesias-Silva G.A., Hall K.R. Performance of stochastic global optimization methods in the calculation of phase stability analyses for nonreactive and reactive mixtures. Industrial & Engineering Chemistry Research 2006, 45(13):4764-4772.
10. Bossen B.S., Jorgensen S.B., Gani R. Simulation, design, and analysis of azeotropic distillation operations. Industrial & Engineering Chemistry Research 1993, 32(4):620-633.
11. Brooke A., Kendrick D., Meeraus A., Raman R. GAMS - A users guide 2005, GAMS Development Corporation, Washington.
12. Brüggemann S., Oldenburg J., Zhang P., Marquardt W. Robust dynamic simulation of three-phase reactive batch distillation columns. Industrial & Engineering Chemistry Research 2004, 43(14):3672-3684.
13. Brusis D. Synthesis and optimisation of distillation processes with MINLP techniques 2003, Fortschrittberichte VDI, VDI Verlag, Reihe 3, Nr. 797, Düsseldorf.
14. Caballero J.A., Grossmann I.E. Hybrid simulation-optimization algorithms for distillation design. Computer aided chemical engineering 2010, Vol. 28:637-642. Elsevier.
15. Cairns B.P., Furzer I.A. Multicomponent 3-phase azeotropic distillation. 2. Phase-stability and phase-splitting algorithms. Industrial & Engineering Chemistry Research 1990, 29(7):1364-1382.
16. Clark P.A., Westerberg A.W. Bilevel programming for steady-state chemical process design. 1. Fundamentals and algorithms. Computers & Chemical Engineering 1990, 14(1):87-97.
17. Doherty M.F., Malone M.F. Conceptual design of distillation systems 2001, McGraw-Hill, Boston.
18. Feng G., Fan L.T., Friedler F., Seib P.A. Identifying operating units for the design and synthesis of azeotropic-distillation systems. Industrial & Engineering Chemistry Research 2000, 39(1):175-184.
19. Feng G., Fan L.T., Seib P.A., Bertok B., Kalotai L., Friedler F. Graph-theoretic method for the algorithmic synthesis of azeotropic-distillation systems. Industrial & Engineering Chemistry Research 2003, 42(15):3602-3611.
20. Ferris M.C., Dirkse S.P., Meeraus A. Mathematical programs with equilibrium constraints: Automatic reformulation and solution via constrained optimization. Frontiers in applied general equilibrium modeling 2005, 67-93. Cambridge University Press.
21. Fletcher R., Morton W. Initialising distillation column models. Computers & Chemical Engineering 2000, 23(11-12):1811-1824.
22. Furzer I.A. Synthesis of entrainers in heteroazeotropic distillation systems. The Canadian Journal of Chemical Engineering 1994, 72(2):358-364.
23. GAMS Development Corporation. External equations. http://www.gams.com/docs/externalequ.htm.
24. Gani R., Nielsen B., Fredenslund A. A group contribution approach to computer-aided molecular design. AIChE Journal 1991, 37(9):1318-1332.
25. Geilen F.M.A., Engendahl B., Harwardt A., Marquardt W., Klankermayer J., Leitner W. Selective and flexible transformation of biomass-derived platform chemicals by a multifunctional catalytic system. Angewandte Chemie International Edition 2010, 49(32):5510-5514.
26. Glanz S., Stichlmair J. Mixed integer optimization of combined solvent extraction and distillation processes. Computers & Chemical Engineering 1997, 21:547-552.
27. Gopal V., Biegler L.T. Nonsmooth dynamic simulation with linear programming based methods. Computers & Chemical Engineering 1997, 21(7):675-689.
28. Gopal V., Biegler L.T. Smoothing methods for complementarity problems in process engineering. AIChE Journal 1999, 45(7):1535-1547.
29. Gross B., Roosen P. Total process optimization in chemical engineering with evolutionary algorithms. Computers & Chemical Engineering 1998, 22(Suppl. 1):229-236.
30. Gumus Z.H., Ciric A.R. Reactive distillation column design with vapor/liquid/liquid equilibria. Computers & Chemical Engineering 1997, 21:983-988.
31. Guthrie K.M. Capital cost estimating. Chemical Engineering & Technology 1969, 114-142.
32. Han G., Pandu Rangaiah G. A method for multiphase equilibrium calculations. Computers & Chemical Engineering 1998, 22(7-8):897-911.
33. Harwardt A. Systematic design of separations for processing of biorenewables 2013, Fortschrittberichte VDI, VDI Verlag, Reihe 3, Nr. 936, Düsseldorf.
34. Hua J.Z., Brennecke J.F., Stadtherr M.A. Reliable prediction of phase stability using an interval Newton method. Fluid Phase Equilibria 1996, 116(1-2):52-59.
35. Huber G.W., Iborra S., Corma A. Synthesis of transportation fuels from biomass: Chemistry, catalysts, and engineering. Chemical Reviews 2006, 106(9):4044-4098.
36. Jalali-Farahani F., Seader J.D. Use of homotopy-continuation method in stability analysis of multiphase, reacting systems. Computers & Chemical Engineering 2000, 24(8):1997-2008.
37. Kallrath J. Mixed integer optimization in the chemical process industry - Experience, potential and future perspectives. Chemical Engineering Research and Design 2000, 78(A6):809-822.
38. Kangas J., Malinen I., Tanskanen J. Modified bounded homotopies in the solving of phase stability problems for liquid-liquid phase-splitting calculations. Industrial & Engineering Chemistry Research 2011, 50(11):7003-7018.
39. Kingsley J.P., Lucia A. Simulation and optimization of 3-phase distillation processes. Industrial & Engineering Chemistry Research 1988, 27(10):1900-1910.
40. Kiva V.N., Hilmen E.K., Skogestad S. Azeotropic phase equilibrium diagrams: A survey. Chemical Engineering Science 2003, 58(10):1903-1953.
41. Kossack S., Kraemer K., Marquardt W. Combining shortcut methods and rigorous MINLP optimization for the design of distillation processes for homogeneous azeotropic mixtures. Distillation & absorption 2006 2006, 122-131. IChemE, London and United Kingdom. E. Sorensen (Ed.).
42. Kovach J.W., Seider W.D. Heterogeneous azeotropic distillation: Experimental and simulation results. AIChE Journal 1987, 33(8):1300-1314.
43. Królikowski A.R., Królikowski L.J., Wasylkiewicz S.K. Distillation profiles in ternary heterogeneous mixtures with distillation boundaries. Chemical Engineering Research and Design 2011, 89(7):879-893.
44. Kraemer K., Harwardt A., Skiborowski M., Mitra S., Marquardt W. Shortcut-based design of multicomponent heteroazeotropic distillation. Chemical Engineering Research and Design 2011, 89(8):1168-1189.
45. Kraemer K., Kossack S., Marquardt W. Efficient optimization-based design of distillation processes for homogeneous azeotropic mixtures. Industrial & Engineering Chemistry Research 2009, 48(14):6749-6764.
46. Kravanja Z., Grossmann I.E. A computational approach for the modeling/decomposition strategy in the MINLP optimization of process flowsheets with implicit models. Industrial & Engineering Chemistry Research 1996, 35(6):2065-2070.
47. Leboreiro J., Acevedo J. Processes synthesis and design of distillation sequences using modular simulators: A genetic algorithm framework. Computers & Chemical Engineering 2004, 28(8):1223-1236.
48. Lucia A., Amale A., Taylor R. Synthesis, design and retrofitting of energy efficient separation processes. Institution of Chemical Engineers Symposium Series 2006, 152:63-72.
49. Lucia A., Amale A., Taylor R. Distillation pinch points and more. Computers & Chemical Engineering 2008, 32(6):1342-1364.
50. Luyben W.L. Control of a multiunit heterogeneous azeotropic distillation process. AIChE Journal 2006, 52(2):623-637.
51. Müller D., Marquardt W. Dynamic multiple-phase flash simulation: Global stability analysis versus quick phase determination. Computers & Chemical Engineering 1997, 21:817-822.
52. McCarl B.A., Meeraus A., Eijk P.V.D., Bussieck M., Dirkse S., Steacy P., et al. McCarl GAMS user guide 2011.
53. Mcdonald C.M., Floudas C.A. Global optimization for the phase and chemical-equilibrium problem - Application to the NRTL equation. Computers & Chemical Engineering 1995, 19(11):1111-1139.
54. Mcdonald C.M., Floudas C.A. Global optimization for the phase-stability problem. AIChE Journal 1995, 41(7):1798-1814.
55. Mersmann A., Kind M., Stichlmair J. Thermal separation technology: Principles, methods, process design 2011, Springer, New York.
56. Michelsen M. The isothermal flash problem. Part I. Stability. Fluid Phase Equilibria 1982, 9:1-19.
57. Mitsos A., Barton P.I. A dual extremum principle in thermodynamics. AIChE Journal 2007, 53(8):2131-2147.
58. Noronha S., Gruhn G., Kravanja Z. Handling implicit model formulations in MINLP optimization. Computers & Chemical Engineering 1997, 21:499-504.
59. Papadopoulos A.I., Linke P. Efficient integration of optimal solvent and process design using molecular clustering. Chemical Engineering Science 2006, 61(19):6316-6336.
60. Pham H., Doherty M.F. Design and synthesis of heterogeneous azeotropic distillations III. Column sequences. Chemical Engineering Science 1990, 45(7):1845-1854.
61. Pham H.N., Ryan P.J., Doherty M.F. Design and minimum reflux for heterogeneous azeotropic distillation columns. AIChE Journal 1989, 35(10):1585-1591.
62. Poth N., Brusis D., Stichlmair J. Rigorous optimization of reactive distillation in GAMS with the use of external functions. Computer aided chemical engineering 2003, Vol. 14:869-874. Elsevier.
63. Prayoonyong P., Jobson M. Flowsheet synthesis and complex distillation column design for separating ternary heterogeneous azeotropic mixtures. Chemical Engineering Research and Design 2011, 89(8):1362-1376.
64. Raghunathan A.U., Biegler L.T. Mathematical programs with equilibrium constraints (MPECs) in process engineering. Computers & Chemical Engineering 2003, 27(10):1381-1392.
65. Ramanathan S.P., Mukherjee S., Dahule R.K., Ghosh S., Rahman I., Tambe, et al. Optimization of continuous distillation columns using stochastic optimization approaches. Chemical Engineering Research and Design 2001, 79(3):310-322.
66. Rovaglio M., Doherty M.F. Dynamics of heterogeneous azeotropic distillation-columns. AIChE Journal 1990, 36(1):39-52.
67. Ryan P.J., Doherty M.F. Design/optimization of ternary heterogeneous azeotropic distillation sequences. AIChE Journal 1989, 35(10):1592-1601.
68. Ryll O., Blagov S., Hasse H. Convex envelope method for the determination of fluid phase diagrams. Fluid Phase Equilibria 2012, 324:108-116.
69. Ryll O., Blagov S., Hasse H. ∞/∞-Analysis of heterogeneous distillation processes. Chemical Engineering Science 2013, 104:374-388.
70. Shyamsundar V., Rangaiah G.P. A method for simulation and optimization of multiphase distillation. Computers & Chemical Engineering 2000, 24(1):23-37.
71. Silva H.G., Salcedo R.L.R. A coupled strategy for the solution of NLP and MINLP optimization problems: Benefits and pitfalls. Industrial & Engineering Chemistry Research 2009, 48(21):9611-9621.
72. Skiborowski M., Rautenberg M., Marquardt W. A novel approach to hybrid evolutionary-deterministic optimization in process design. Computer aided chemical engineering 2013, Vol. 32:961-966. Elsevier.
73. Sorensen E., Arlt W. Liquid-liquid equilibrium data collection: Ternary systems. Chemistry data series 1980, DECHEMA, Deutsche Gesellschaft für Chemisches Apparatewesen.
74. Stein O., Oldenburg J., Marquardt W. Continuous reformulations of discrete-continuous optimization problems. Computers & Chemical Engineering 2004, 28(10):1951-1966.
75. Steyer F., Flockerzi D., Sundmacher K. Equilibrium and rate-based approaches to liquid-liquid phase splitting calculations. Computers & Chemical Engineering 2005, 30(2):277-284.
76. Sun A.C., Seider W.D. Homotopy-continuation method for stability analysis in the global minimization of the Gibbs free energy. Fluid Phase Equilibria 1995, 103(2):213-249.
77. Tao L., Malone M.F., Doherty M.F. Synthesis of azeotropic distillation systems with recycles. Industrial & Engineering Chemistry Research 2003, 42(8):1783-1794.
78. Tessier S.R., Brennecke J.F., Stadtherr M.A. Reliable phase stability analysis for excess Gibbs energy models. Chemical Engineering Science 2000, 55(10):1785-1796.
79. Tolsma J.E., Clabaugh J.A., Barton P.I. Symbolic incorporation of external procedures into process modeling environments. Industrial & Engineering Chemistry Research 2002, 41(16):3867-3876.
80. Urdaneta R.Y. Targeting and conceptual design of heteroazeotropic distillation processes 2005, Fortschrittberichte VDI, VDI Verlag, Reihe 3, Nr. 841, Düsseldorf.
81. Urdaneta R.Y., Bausa J., Brüggemann S., Marquardt W. Analysis and conceptual design of ternary heterogeneous azeotropic distillation processes. Industrial & Engineering Chemistry Research 2002, 41(16):3849-3866.
82. Vázquez-Ojeda M., Segovia-Hernández J.G., Hernández S., Hernández-Aguirre A., Kiss A.A. Design and optimization of an ethanol dehydration process using stochastic methods. Separation and Purification Technology 2013, 105:90-97.
83. Viswanathan J., Grossmann I.E. An alternate MINLP model for finding the number of trays required for a specified separation objective. Computers & Chemical Engineering 1993, 17(9):949-955.
84. Viswanathan J., Grossmann I.E. Optimal feed locations and number of trays for distillation-columns with multiple feeds. Industrial & Engineering Chemistry Research 1993, 32(11):2942-2949.
85. Wang C.J., Wong D.S.H., Chien I.-L., Shih R.F., Liu W.T., Tsai C.S. Critical reflux, parametric sensitivity, and hysteresis in azeotropic distillation of isopropyl alcohol+water+cyclohexane. Industrial & Engineering Chemistry Research 1998, 37(7):2835-2843.
86. Wasylkiewicz S.K., Kobylka L.C., Castillo F.J.L. Optimal design of complex azeotropic distillation columns. Chemical Engineering Journal 2000, 79(3):219-227.
87. Wasylkiewicz S.K., Kobylka L.C., Castillo F.J.L. Synthesis and design of heterogeneous separation systems with recycle streams. Chemical Engineering Journal 2003, 92(1-3):201-208.
88. Widagdo S., Seider W.D. Azeotropic distillation. AIChE Journal 1996, 42(1):96-130.
89. Widagdo S., Seider W.D., Sebastian D.H. Dynamic analysis of heterogeneous azeotropic distillation. AIChE Journal 1992, 38(8):1229-1242.
90. Young S. The preparation of absolute alcohol from strong spirit. Journal of the Chemical Society, Transactions 1902, 81:707-717.
91. Zhang H., Bonilla-Petriciolet A., Rangaiah G.P. A review on global optimization methods for phase equilibrium modeling and calculations. The Open Thermodynamics Journal 2011, 5:71-92.