Equilibrium and Rate Based Simulation of MTBE Reactive Distillation Column
Equilibrium and rate based models have been applied
in the simulation of methyl tertiary-butyl ether (MTBE) synthesis
through reactive distillation. Temperature and composition profiles
were compared for both the models and found that both the profiles
trends, though qualitatively similar are significantly different
quantitatively. In the rate based method (RBM), multicomponent
mass transfer coefficients have been incorporated to describe
interphase mass transfer. MTBE mole fraction in the bottom stream is
found to be 0.9914 in the Equilibrium Model (EQM) and only 0.9904
for RBM when the same column configuration was preserved. The
individual tray efficiencies were incorporated in the EQM and
simulations were carried out. Dynamic simulation have been also
carried out for the two column configurations and compared.
1] R. Taylor and R. Krishna (2000) Modeling reactive distillation,
Chemical Engineering Science, 55, 5183-5229.
[2] S. Carra, E. Santacesaria, M. Morbidelli, and L. Cavalli (1979),
Synthesis of propylene oxide from propylene-chlorohydrins-I. Kinetic
aspect of the process, Chemical Engineering Science, 34, 1123-1132.
[3] J.D. Shoemaker, and E.M. Jones (1987), Cumene by catalytic
distillation, Hydrocarbon Processing, 57-68.
[4] M.F. Doherty and G. Buzad (1992) Reactive distillation by design,
Chem. Eng. Res & Design, Trans I.Chem.E., Part A, 70, 448-458.
[5] N. Asprion (2006). Nonequilibrium rate-based simulation of reactive
systems: Simulation model, heat transfer, and influence of film
discretization. Industrial and Engineering Chemistry Research, 45,
2054–2069.
[6] R. Baur, A. P. Higler, R. Taylor and R. Krishna (2000), Comparison of
equilibrium stage and non-equilibrium stage models for reactive
distillation. Chemical Engineering Journal, 76, 33–47.
[7] JianjunPeng, SebastienLextrait, Thomas F. Edgar and R. Bruce Eldridge
(2002), A comparison of steady-state equilibrium and rate-based models
for packed reactive distillation columns, Ind. Eng. Chem. Res. 41, 2735-
2744.
[8] Jin-Ho Lee, M.P. Dudukovic (1998), A comparison of the equilibrium
and nonequilibrium models for a multicomponent reactive distillation
column, Computers and Chemical Engineering 23, 159-172.
[9] Markus Koker, Eugeny Y. Kenig, Achim Hoffmann, Peter Kreis and
AndrzejGorak (2005), Rate-based modeling and simulation of reactive
separations in gas vapor–liquid systems, Chemical Engineering and
Processing 44, 617–629.
[10] D.B. Kaymak, W.L. Luyben(2006), Evaluation of a two-temperature
control structure for a two-reactant/two-product type of reactive
distillation column, Chemical Engineering Science 61 (13), 4432–4450.
[11] P. Kumar, N. Kaistha(2008), Decentralized control of a kinetically
controlled ideal reactive distillation column, Chemical Engineering
Science 63 (1), 228–243.
[12] M.G. Sneesby, M.O. Tade, R. Datta, T.N. Smith(1997), ETBE synthesis
via reactive dis- tillation. 2. Dynamic simulation and control aspects,
Industrial & Engineering Chemistry Research 36 (5), 1870–1881.
[13] M.L. Luyben, B.D. Tyreus, W.L. Luyben(1997), Plantwide control
design procedure, AIChE Journal 43 (12), 3161–3174.
[14] JianjunPeng, Thomas F. Edgar, R. Bruce Eldridge (2003), Dynamic ratebased
and equilibrium models for a packed reactive distillation column,
Chemical Engineering Science, 58, 2671–2680.
[15] L. U. Kreul and A. Gorak, P. I. Barton (2004), Dynamic rate-based
model for multicomponent batch distillation, AICHE 45, 9, 1953-1962.
[16] Amit M. Katariya, Ravindra S. Kamath, Kannan M. Moudgalya, Sanjay
M. Mahajani (2008), Non-equilibrium stage modeling and non-linear
dynamic effects in the synthesis of TAME by reactive distillation,
Computers and Chemical Engineering 32, 2243–2255.
[17] 16. H. Lin and P.L. Douglas (2000), Dynamic simulation and control of
an MTBE catalytic distillation column, Dev. Chem. Eng. Mineral
Process, 8(3/4), 375-399.
[18] R. Baur, R. Taylor, R. Krishna (2000), Development of a dynamic
nonequilibrium cell model for reactive distillation tray columns,
Chemical Engineering Science, 55, 6139-6154.
[19] Ralph Jacobs and Rajamani Krishna (1993), Multiple solutions in
reactive distillation for methyl tert-butyl ether synthesis, Industrial and
Engineering Chemistry Research, 32, 1706-1709.
[20] J.D. Sieder, E. J.Henley (2006), Separation process principles, John
Wiley & Sons, Inc., page-436.
[21] A. Rehfinger, U. Hoffmann (1990) Kinetics of methyl tertiary butyl
ether liquid phase synthesis catalyzed by ion exchange resin-I. intrinsic
rate expression in liquid phase activities. Chem. Eng. Sci. , 45, 1605-
1616.
1] R. Taylor and R. Krishna (2000) Modeling reactive distillation,
Chemical Engineering Science, 55, 5183-5229.
[2] S. Carra, E. Santacesaria, M. Morbidelli, and L. Cavalli (1979),
Synthesis of propylene oxide from propylene-chlorohydrins-I. Kinetic
aspect of the process, Chemical Engineering Science, 34, 1123-1132.
[3] J.D. Shoemaker, and E.M. Jones (1987), Cumene by catalytic
distillation, Hydrocarbon Processing, 57-68.
[4] M.F. Doherty and G. Buzad (1992) Reactive distillation by design,
Chem. Eng. Res & Design, Trans I.Chem.E., Part A, 70, 448-458.
[5] N. Asprion (2006). Nonequilibrium rate-based simulation of reactive
systems: Simulation model, heat transfer, and influence of film
discretization. Industrial and Engineering Chemistry Research, 45,
2054–2069.
[6] R. Baur, A. P. Higler, R. Taylor and R. Krishna (2000), Comparison of
equilibrium stage and non-equilibrium stage models for reactive
distillation. Chemical Engineering Journal, 76, 33–47.
[7] JianjunPeng, SebastienLextrait, Thomas F. Edgar and R. Bruce Eldridge
(2002), A comparison of steady-state equilibrium and rate-based models
for packed reactive distillation columns, Ind. Eng. Chem. Res. 41, 2735-
2744.
[8] Jin-Ho Lee, M.P. Dudukovic (1998), A comparison of the equilibrium
and nonequilibrium models for a multicomponent reactive distillation
column, Computers and Chemical Engineering 23, 159-172.
[9] Markus Koker, Eugeny Y. Kenig, Achim Hoffmann, Peter Kreis and
AndrzejGorak (2005), Rate-based modeling and simulation of reactive
separations in gas vapor–liquid systems, Chemical Engineering and
Processing 44, 617–629.
[10] D.B. Kaymak, W.L. Luyben(2006), Evaluation of a two-temperature
control structure for a two-reactant/two-product type of reactive
distillation column, Chemical Engineering Science 61 (13), 4432–4450.
[11] P. Kumar, N. Kaistha(2008), Decentralized control of a kinetically
controlled ideal reactive distillation column, Chemical Engineering
Science 63 (1), 228–243.
[12] M.G. Sneesby, M.O. Tade, R. Datta, T.N. Smith(1997), ETBE synthesis
via reactive dis- tillation. 2. Dynamic simulation and control aspects,
Industrial & Engineering Chemistry Research 36 (5), 1870–1881.
[13] M.L. Luyben, B.D. Tyreus, W.L. Luyben(1997), Plantwide control
design procedure, AIChE Journal 43 (12), 3161–3174.
[14] JianjunPeng, Thomas F. Edgar, R. Bruce Eldridge (2003), Dynamic ratebased
and equilibrium models for a packed reactive distillation column,
Chemical Engineering Science, 58, 2671–2680.
[15] L. U. Kreul and A. Gorak, P. I. Barton (2004), Dynamic rate-based
model for multicomponent batch distillation, AICHE 45, 9, 1953-1962.
[16] Amit M. Katariya, Ravindra S. Kamath, Kannan M. Moudgalya, Sanjay
M. Mahajani (2008), Non-equilibrium stage modeling and non-linear
dynamic effects in the synthesis of TAME by reactive distillation,
Computers and Chemical Engineering 32, 2243–2255.
[17] 16. H. Lin and P.L. Douglas (2000), Dynamic simulation and control of
an MTBE catalytic distillation column, Dev. Chem. Eng. Mineral
Process, 8(3/4), 375-399.
[18] R. Baur, R. Taylor, R. Krishna (2000), Development of a dynamic
nonequilibrium cell model for reactive distillation tray columns,
Chemical Engineering Science, 55, 6139-6154.
[19] Ralph Jacobs and Rajamani Krishna (1993), Multiple solutions in
reactive distillation for methyl tert-butyl ether synthesis, Industrial and
Engineering Chemistry Research, 32, 1706-1709.
[20] J.D. Sieder, E. J.Henley (2006), Separation process principles, John
Wiley & Sons, Inc., page-436.
[21] A. Rehfinger, U. Hoffmann (1990) Kinetics of methyl tertiary butyl
ether liquid phase synthesis catalyzed by ion exchange resin-I. intrinsic
rate expression in liquid phase activities. Chem. Eng. Sci. , 45, 1605-
1616.
@article{"International Journal of Chemical, Materials and Biomolecular Sciences:50306", author = "Debashish Panda and Kannan A.", title = "Equilibrium and Rate Based Simulation of MTBE Reactive Distillation Column", abstract = "Equilibrium and rate based models have been applied
in the simulation of methyl tertiary-butyl ether (MTBE) synthesis
through reactive distillation. Temperature and composition profiles
were compared for both the models and found that both the profiles
trends, though qualitatively similar are significantly different
quantitatively. In the rate based method (RBM), multicomponent
mass transfer coefficients have been incorporated to describe
interphase mass transfer. MTBE mole fraction in the bottom stream is
found to be 0.9914 in the Equilibrium Model (EQM) and only 0.9904
for RBM when the same column configuration was preserved. The
individual tray efficiencies were incorporated in the EQM and
simulations were carried out. Dynamic simulation have been also
carried out for the two column configurations and compared.
", keywords = "Aspen Plus, equilibrium stage model, methyl
tertiary-butyl ether, rate based model.", volume = "8", number = "10", pages = "1069-7", }
