A method for modeling two- And three-phase reactive distillation columns

Industrial and Engineering Chemistry Research

Volumn 45, Issue 17, 2006, Pages 6007-6020

  Khaledi, Rahman ^a   Bishnoi, P R ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; MATHEMATICAL MODELS; PHASE EQUILIBRIA; REACTION KINETICS;

CYCLOHEXANOL; EQUILIBRIUM CALCULATIONS; STEADY-STATE SIMULATION; THREE PHASE REACTIVE DISTILLATION;

DISTILLATION COLUMNS;

ALGORITHMS; COMPUTER SIMULATION; DISTILLATION COLUMNS; MATHEMATICAL MODELS; PHASE EQUILIBRIA; REACTION KINETICS;

EID: 33748425931     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie051384a     Document Type: Article

References (34)

1. Backhaus, A. A. Continuous Processes for the Manufacture of Esters. U.S. Patent No. 1,400,849, 1921.
2. Taylor, R.; Krishna, R. Modeling Reactive Distillation. Chem. Eng. Sci. 2000, 55, 5183.
3. Sundmacher, K., Kienle, A., Eds. Reactive Distillation: Status and Future Directions; Wiley-VCH Verlag GmbH & Co.: Weinheim, Germany, 2001.
4. Schmitt, M.; Hasse, H.; Althaus, K.; Schoenmakers, H.; Götze, L.; Moritz, P. Synthesis of n-Hexyl Acetate by Reactive Distillation. Chem. Eng. Process. 2004, 43, 397.
5. Zhicai, Y.; Xianbao, C.; Jing, G. Esterification-Distillation of Butanol and Acetic Acid. Chem. Eng. Sci. 1998, 53, 2081.
6. Hanika, J.; Kolena, J.; Smejkal, Q. Butyl Acetate via Reactive Distillation-Modeling and Experiment. Chem. Eng. Sci. 1999, 54, 5205.
7. Venimadhavan, G.; Malone, M. F.; Doherty, M. F. A Novel Distillate Policy for Batch Reactive Distillation with Application to the Production of Butyl Acetate. Ind. Eng. Chem. Res. 1999, 38, 714.
8. Gangadwala, J.; Kienle, A.; Stein, E.; Mahajani, S. Production of Butyl Acetate by Catalytic Distillation: Process Design Studies. Ind. Eng. Chem. Res. 2004, 43, 136.
9. Qi, Z.; Kolah, A.; Sundmacher, K. Residue Carve Maps for Reactive Distillation Systems with Liquid-Phase Splitting. Chem. Eng. Sci. 2002, 57, 163.
10. Steyer, F.; Qi, Z.; Sundmacher, K. Synthesis of Cyclohexanol by Three-Phase Reactive Distillation: Influence of Kinetics on Phase Equilibria. Chem. Eng. Sci. 2002, 57, 1511.
11. Qi, Z.; Sundmacher, K. Bifurcation Analysis of Reactive Distillation Systems with Liquid-Phase Splitting. Comput. Chem. Eng. 2002, 26, 1459.
12. Gumus, Z. H.; Ciric, A. R. Reactive Distillation Column Design with Vapor/Liquid/Liquid Equilibria. Comput. Chem. Eng. 1997, 21, S983.
13. Khaledi, R.; Bishnoi, P. R. A Method for Steady-State Simulation of Multistage Three-Phase Separation Columns. Ind. Eng. Chem. Res. 2005, 44, 6845.
14. Gupta, A. K.; Bishnoi, P. R.; Kalogerakis, N. A Method for the Simultaneous Phase Equilibria and Stability Calculations for Multiphase Reacting and Non-Reacting Systems. Fluid Phase Equilib. 1991, 63, 65.
15. Khaledi, R. Simulation of Multiphase Reactive and Non-Reactive Separation Processes. Ph.D. Thesis, University of Calgary, Calgary, Alberta, Canada, 2005.
16. Boston, J. F.; Sullivan, S. L. A New Class of Solution Methods for Multicomponent, Multistage Separation Processes. Can. J. Chem. Eng. 1974, 52, 52.
17. Naphthali, L. M.; Sandholm, D. P. Multicomponent Separation Calculations by Linearization. AICHE J. 1971, 17, 148.
18. Rheinboldt, W.; Burkardt, J. A Program for a Locally Parametrized Continuation Process. ACM Trans. Math. Soft. 1983, 9, 236.
19. Powell, M. J. D. A Hybrid Method for Non-Linear Equations. In Numerical Methods for Nonlinear Algebraic Equations; Rabinowitz, P., Ed.; Gordon and Breach: New York, 1970.
20. Trebble, M. A. A Preliminary Evaluation of Two and Three Phase Flash Initiation Procedures. Fluid Phase Equilib. 1989, 53, 113.
21. Peng, D. Y.; Robinson, D. B. A New Two-Constant Equation of State. Ind. Eng. Chem. Fundam. 1976, 15, 59.
22. Prausnitz, J. M.; Anderson, T. F.; Grens, E. A.; Eckerts, C. A.; Hsieh, R.; O'Connell, J. P. Computer Calculations for Multicomponent Vapor-Liquid and Liquid - Liquid Equilibria; Prentice Hall: Englewood Cliffs, NJ, 1980.
23. Agreda, V. H.; Partin, L. R.; Heise, W. H. High-Purity Methyl Acetate via Reactive Distillation. Chem. Eng. Prog. 1990, 86, 40.
24. Bessling, B.; Lötting, J. M.; Ohligschläger, A.; Schembecker, G.; Sundmacher, K. Investigations on the Synthesis of Methyl Acetate in a Heterogeneous Reactive Distillation Process. Chem. Eng. Technol. 1998, 21, 393.
25. Pöpken, T.; Steinigeweg, S.; Gmehling, J. Synthesis and Hydrolysis of Methyl Acetate by Reactive Distillation Using Structured Catalytic Packings: Experiments and Simulation. Ind. Eng. Chem. Res. 2001, 40, 1566.
26. Barbosa, D.; Doherty, M. F. Design and Minimum-Reflux Calculations for Double-Feed Multicomponent Reactive Distillation Columns. Chem. Eng. Sci. 1988, 43, 2377.
27. Huss, R. S.; Chen, F.; Malone, M. F.; Doherty, M. F. Reactive Distillation for Methyl Acetate Production. Comput. Chem. Eng. 2003, 27, 1855.
28. Gmehling, J.; Onken, U. Vapor - Liquid Equilibrium Data Collection; DECHEMA Chemistry Data Series, Vol. 1, Part 1; 1977.
29. Song, W.; Venimadhavan, G.; Manning, J. M.; Malone, M. F.; Doherty, M. F. Measurement of Residue Carve Maps and Heterogeneous Kinetics in Methyl Acetate Synthesis. Ind. Eng. Chem. Res. 1998, 37, 1917.
30. Jensen, K. L.; Datta, R. Ethers from Ethanol. 1. Equilibrium Thermodynamic Analysis of the Liquid-Phase Ethyl tert-Butyl Ether Reaction. Ind. Eng. Chem. Res. 1995, 34, 392.
31. Sneesby, M. G.; Tade', M. O.; Datta, R.; Smith, T. N. ETBE Synthesis via Reactive Distillation. 1. Steady-State Simulation and Design Aspects. Ind. Eng. Chem. Res. 1997, 36, 1855.
32. Gangadwala, J.; Mankar, S.; Mahajani, S. Esterification of Acetic Acid with Butanol in the Presence of Ion-Exchange Resins as Catalysts. Ind. Eng. Chem. Res. 2003, 42, 2146.
33. Löning, S.; Horst, C.; Hoffmann, U. Theoretical Investigations on the Quaternary System n-Butanol, Butyl Acetate, Acetic Acid and Water. Chem. Eng. Technol. 2000, 23, 789.
34. Panneman, H. J.; Beenackers, A. A. C. M. Solvent Effects in the Liquid-Phase Hydration of Cyclohexene Catalyzed by a Macroporous Strong Acid Ion Exchange Resin. Chem. Eng. Sci. 1992, 47, 2635.