Simulation of Reactive Distillation: Comparison of Equilibrium and Nonequilibrium Stage Models
Authors: Asfaw Gezae Daful
Abstract:
In the present study, two distinctly different approaches are followed for modeling of reactive distillation column, the equilibrium stage model and the nonequilibrium stage model. These models are simulated with a computer code developed in the present study using MATLAB programming. In the equilibrium stage models, the vapor and liquid phases are assumed to be in equilibrium and allowance is made for finite reaction rates, where as in the nonequilibrium stage models simultaneous mass transfer and reaction rates are considered. These simulated model results are validated from the experimental data reported in the literature. The simulated results of equilibrium and nonequilibrium models are compared for concentration, temperature and reaction rate profiles in a reactive distillation column for Methyl Tert Butyle Ether (MTBE) production. Both the models show similar trend for the concentration, temperature and reaction rate profiles but the nonequilibrium model predictions are higher and closer to the experimental values reported in the literature.
Keywords: Reactive Distillation, Equilibrium model, Nonequilibrium model, Methyl Tert-Butyl Ether
Digital Object Identifier (DOI): doi.org/10.5281/zenodo.1088048
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4210References:
[1] A. Higler, R. Krishna, J. Ellenberger, and R. Taylor, “Counter-current operation of of a structured catalytically packed bed reactor: Liquid phase mixing and mass transfer,” Chem. Eng. Sci., vol. 54, pp. 5145–5152, 1999.
[2] A. Higler, R. Krishna, and R. Taylor, “A nonequilibrium cell model for multicomponent(reactive) separation processes,” AIChE. J., vol. 45, pp. 2357–2363, 1999.
[3] A. A. Kiss, F. Omota, A. C. Dimian, and G. Rothenberg, “The heterogeneous advantage: Biodiesel by catalytic reactive distillation,” Top. Catal., vol. 40, pp. 141–150, 2006.
[4] A. Higler, R. Krishna, and R. Taylor, “Nonequilibrium modeling of reactive distillation: A dusty fluid model for heterogeneously catalyzed processes,” Ind. Eng. Chem. Res., vol. 39, pp. 1696–1707, 2000.
[5] A. A. Kiss, A. C. Dimian, and G. Rothenberg, “Biodiesel by catalytic reactive distillation powered by metal oxides,” Energy Fuels, vol. 22, pp. 598–604, 2008.
[6] G. J. Harmsen, “Reactive distillation: The front-runner of industrial process intensification a full review of commercial applications, research, scale-up, design and operation,” Chem. Eng. Process., vol. 46, pp. 774–780, 2007.
[7] H. S. Eldarsi and P. L. Douglas, “Methyl-tert-butyl-ether catalytic distillation column: part I: Multiple steady states,” Chem. Eng. Res. Des., vol. 76, pp. 509–516, 1998.
[8] R. S. Huss, F. Chen, M. F. Malone, and M. F. Doherty, “Reactive distillation for methyl acetate production,” Comput. Chem. Eng., vol. 27, pp. 1855– 1866, 2003.
[9] F. I. G´omez-Castro, V. Rico-Ram´ırez, J. G. Segovia-Hern´andez, S. Hern´andez-Castro, G. Gonz´alez-Alatorre, and M. M. El-Halwagi, “Simplified methodology for the design and optimization of thermally coupled reactive distillation systems,” Ind. Eng. Chem. Res., vol. 51, pp. 11 717–11 730, 2012.
[10] Y. Jiao, S.-J. Wang, K. Huang, H. Chen, and W. Liu, “Design and analysis of internally heat-integrated reactive distillation processes,” Ind. Eng. Chem. Res., vol. 51, pp. 4002–4016, 2012.
[11] R. Gani, T. S. Jepsen, and E. S. P´erez-Cisneros, “A Generalized Reactive Separation Unit Model. Modelling and Simulation Aspects,” Comput. Chem. Eng., vol. 22, pp. 363–370, 1998.
[12] R. Jacobs and R. Krishna, “Multiple solutions in reactive distillation for methyl tert-butyl ether synthesis,” Ind. Eng. Chem. Res., vol. 32, pp. 1706–1709, 1993.
[13] L. U. Kreul, A. Gorak, and P. I. Barton, “Modelling of homogeneous reactive separation processes in packed columns,” Chem. Eng. Sci., vol. 54, pp. 19–25, 1999.
[14] X. Xu, Y. Zheng, and G. Zeng, “Kinetics and effectiveness of catalyst for synthesis of Methyl-Tert-Butyl-Ether in catalytic distillation,” Ind. Eng. Chem. Res., vol. 34, pp. 2232–2236, 1995.
[15] R. S. Kamath, Zhiwen, K. Sundmacher, P. Aghalayam, and S. M. Mahajani, “Process analysis for dimerization of isobutene by reactive distillation,” Ind. Eng. Chem. Res., vol. 45, pp. 1575–1582, 2006,.
[16] W. Hung, I. Lai, Y. Chen, S. Hung, H. Huang, M. Lee, and C. Yu, “Process chemistry and design alternatives for converting dilute acetic acid to esters in reactive distillation,” Ind. Eng. Chem. Res., vol. 45, pp. 1722–1733, 2006.
[17] M. Wang, H. Wang, N. Zhao, Wei, and Y. Sun, “High-yield synthesis of dimethyl carbonate from urea and methanol using a catalytic distillation process,” Ind. Eng. Chem. Res., vol. 46, pp. 2683–2687, 2007.
[18] R. Baur and R. Krishna, “Hardware selection and design aspects for reactive distillation columns. A case study on synthesis of TAME,” Chem. Eng. Process., vol. 41, pp. 445–462, 2002.
[19] A. Katariya, K. Moudgalya, and S. Mahajani, “Nonlinear dynamic effects in reactive distillation for synthesis of TAME,” Ind. Eng. Chem. Res., vol. 45, pp. 4233 – 4242, 2006.
[20] Y. H. Jhon and T. Lee, “Dynamic simulation for reactive distillation with ETBE synthesis,” Sep. Purif. Technol., vol. 31, pp. 301–317, 2003.
[21] J. D. Seader and J. E. Henley, Separation process principles. John Wiley and Sons, Inc, 1998.
[22] R. Taylor and R. Krishna, “Modeling reactive distillation,” Chem. Eng. Sci., vol. 55, pp. 5183–5229, 2000.
[23] A. Gezae, “Modeling and simulation of reactive distillation,” Master’s thesis, Department of Chemical Engineering, Faculty of Technology, School of Graduate Studies, Addis Ababa University, July 2004.
[24] R. C. Reid, J. M. Prausnitz, and B. M. Poling, The properties of gases and liquids. New York: McGraw-Hill, 1988.
[25] J. M. Smith, H. C. V. Ness, and M. M. Abbot, Introduction to chemical engineering thermodynamics. McGraw-Hill Book Company, Inc, 1996.
[26] R. K. Sinnott, Coulson & Richrdson’s: Chemical engineering design. Butterworth, 2005, vol. 6.