Modeling and simulation of reactive distillation columns using computer algebra

Computers and Chemical Engineering

Volumn 29, Issue 9, 2005, Pages 1875-1884

  Alfradique, Marcelo F ^a   Castier, Marcelo ^a  

^a FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

Author keywords

Computer algebra; Mathematica; Reactive distillation; Simulation

Indexed keywords

BINARY CODES; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); DISTILLATION COLUMNS; GIBBS FREE ENERGY; MATHEMATICAL MODELS;

AUTOMATIC IMPLEMENTATION; COMPUTER ALGEBRA; MATHEMATICA; REACTIVE DISTILLATION;

ALGEBRA;

CHEMICAL ENGINEERING;

EID: 23944446678     PISSN: 00981354     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compchemeng.2005.04.002     Document Type: Article

References (31)

1. R.L. Akers, P. Baffes, E. Kant, C. Randall, S. Steinberg, and R.L. Young Automatic synthesis of numerical codes for solving partial differential equations Mathematics and Computers in Simulations 45 1998 3
2. K. Alejski, J. Szymanowski, and M. Bogacki The application of a minimization method for solving reacting-distillation problems Computers and Chemical Engineering 12 1988 833
3. M.F. Alfradique, and M. Castier Geração Automática de Procedimentos para Simulação de Processos de Separaçã o em Múltiplos Estágios Via Computação Algébrica. IV Congresso Brasileiro de Engenharia Química, Iniciação Científica Maringá, PR, Brazil 2001
4. M.F. Alfradique, R.O. Espósito, and M. Castier Automatic generation of procedures for the simulation of multistage separators using computer algebra Chemical Engineering Communications 189 2002 657
5. L. Avaullee, L. Trassy, E. Neau, and J.N. Jaubert Thermodynamic modeling for petroleum fluids I. Equation of state and group contribution for the estimation of thermodynamic parameters of heavy hydrocarbons Fluid Phase Equilibria 139 1997 155
6. D. Barbosa, and M.F. Doherty The influence of equilibrium chemical-reactions on vapor liquid-phase diagrams Chemical Engineering Science 43 1988 529
7. S. Braun Application of computer-algebra simulation (CALS) in industry Mathematics and Computers in Simulations 53 2000 249
8. C.G. Broyden A class of methods for solving nonlinear simultaneous equations Mathematics of Computation 19 1965 577
9. Castier, M. (1988). Flowsheet simulation and chemical and phase equilibria. Ph.D. thesis. The Technical University of Denmark.
10. M. Castier Automatic implementation of thermodynamic models using computer algebra Computers and Chemical Engineering 23 1999 1229 1245
11. F. Chen, R.S. Huss, M.F. Malone, and M.F. Doherty Simulation of kinetic effects in reactive distillation Computers and Chemical Engineering 24 2000 2457
12. M.F. Doherty, and M.F. Malone Conceptual design of distillation systems 2001 McGraw-Hill New York
13. A. Dominguez, J. Tojo, and M. Castier Automatic implementation of thermodynamic models for reliable parameter estimation using computer algebra Computers and Chemical Engineering 26 2002 1473
14. Gonçalves, F.M. (2001). Desenvolvimento de um Procedimento para Simulação Dinâmica de Tambores de "Flash" Multifásicos Usando Computação Algébrica. M.Sc. thesis. Escola de Química, UFRJ, Brazil.
15. E. Hála, T. Boublik, and F. Vojtech Vapour pressures of pure substances: Selected values of the temperature dependence of the vapour pressures of some pure substances in the normal and low pressure region vol. 17 1984 Elsevier Physical Sciences Data Amsterdam
16. J.E. Henley, and J.D. Seader Equilibrium stage separations in chemical engineering 1981 John Wiley and Sons New York, NY, USA
17. K.G. Joback, and R.C. Reid Estimation of pure-component properties from group contributions Chemical Engineering Communications 57 1987 223
18. R.B. Kearfott, and M. Novoa III INTBIS, a portable interval Newton/bisection package ACM Transactions on Mathematical Software 16 1990 152
19. H. Komatsu Application of the relaxation method for solving reacting distillation problems Journal of Chemical Engineering of Japan 10 1977 200
20. H.P. Luo, and W.D. Xiao A reactive distillation process for a cascade and azeotropic reaction system: Carbonylation of ethanol with dimethyl carbonate Chemical Engineering Science 56 2001 403
21. H.P. Luo, W.D. Xiao, and K.H. Zhu Isobaric vapor-liquid equilibria of alkyl carbonates with alcohols Fluid Phase Equilibria 175 2000 91
22. D.Y. Peng, and D.B. Robinson A new two-constant equation of state Industrial and Engineering Chemistry Research Fundamentals 15 1976 59
23. R.C. Reid, J.M. Prausnitz, and B.E. Poling The properties of gases and liquids 4th ed. 1987 McGraw-Hill New York, NY, USA
24. S. Saito, T. Michishita, and S. Maeda Separation of meta- and para-xylene mixtures by distillation accompanied by chemical reactions Journal of Chemical Engineering of Japan 4 1971 37
25. A.R. Santos, M.A. Alfradique, R.O. Espósito, and M. Castier Geração Automática de Procedimentos para Cálculo de Equilíbrio Termodinâmico Usando Computação Algébrica. III Congresso Brasileiro de Engenharia Química, Iniciação Científica Belo Horizonte, MG, Brazil 1999
26. C.A. Schnepper, and M.A. Stadtherr Robust process simulation using interval methods Computers and Chemical Engineering 20 1996 187
27. J. Simandl, and W.Y. Svrcek Extension of the simultaneous-solution and inside-outside algorithms to distillation with chemical reactions Computers and Chemical Engineering 15 1991 337
28. R. Taylor Automatic derivation of thermodynamic property functions using computer algebra Fluid Phase Equilibria 129 1997 37
29. R. Taylor, and R. Krishna Modelling reactive distillation Chemical Engineering Science 55 2000 5183
30. G.M. Wilson Vapor-liquid equilibrium. XI. A new expression for the excess Gibbs free energy of mixing Journal of the American Chemical Society 86 1964 127
31. N. Yildirim, and M. Bayram An analysis of the kinetics of unstable enzymatic systems using MAPLE Applied Mathematics and Computation 112 2000 41