CFD modeling of methanol to olefins process in a fixed-bed reactor

Powder Technology

Volumn 221, Issue , 2012, Pages 419-430

  Zhuang, Ya Qing ^a   Gao, Xi ^a   Zhu, Ya ping ^a   Luo, Zheng hong ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

CFD; Fixed bed reactor; Lumping kinetic model; MTO reaction

Indexed keywords

CATALYTIC DEACTIVATION; CFD MODELING; COKE DEPOSITION; COMPONENT DISTRIBUTIONS; COMPREHENSIVE TWO-DIMENSIONAL; COMPUTATIONAL FLUID DYNAMICS CODES; FEED COMPOSITIONS; FEED TEMPERATURE; FIXED-BED REACTOR; FIXED-BED REACTORS; FLOW BEHAVIORS; KINETIC MODELS; LUMPING KINETIC; METHANOL CONVERSION; METHANOL TO OLEFIN; MTO REACTION; OPERATION CONDITIONS; REACTION SCHEMES; REACTOR MODELS; SAPO-34; SPACE VELOCITIES; USER DEFINED FUNCTIONS;

CHEMICAL REACTORS; COMPUTATIONAL FLUID DYNAMICS; KINETIC THEORY; KINETICS; OLEFINS;

METHANOL;

ALKENE; COKE; METHANOL;

ARTICLE; CHEMICAL COMPOSITION; CHEMICAL REACTION; COMPUTATIONAL FLUID DYNAMICS; FIXED BED REACTOR; FLOW KINETICS; MATHEMATICAL ANALYSIS; PROCESS MODEL; PROCESS OPTIMIZATION; TEMPERATURE; VELOCITY;

EID: 84862824423     PISSN: 00325910     EISSN: 1873328X     Source Type: Journal    
DOI: 10.1016/j.powtec.2012.01.041     Document Type: Article

References (64)

1. Stcker M. Methanol-to-hydrocarbons: catalytic materials and their behavior. Microporous and Mesoporous Materials 1999, 29:1-218.
2. Zhu J., Cui Y., Nawaz Z., Wang Y., Wei F. In situ synthesis of SAPO-34 zeolites in kaolin microspheres for a fluidized methanol or dimethyl ether to olefins process. Chinese Journal of Chemical Engineering 2010, 18:979-987. (in Chinese).
3. Zhang B.H., Zhang B.L., Gao Z.X., Han Y.Z. Methanol to olefin over Ca-modified HZSM-5 zeolites. Industrial and Engineering Chemistry Research 2010, 49:2103-2106.
4. Chang C.D., Silvestri A.J. The conversion of methanol and other O-compounds to hydrocarbons over zeolite catalysis. Journal of Catalysis 1977, 47:249-259.
5. Xing A.H., Yue G., Zhu W.P., Lin Q., Li Y. Recent advances in typical technology for methanol conversion to olefins II. Development of chemical process. Modern Chemical Industry 2010, 30:18-25. (in Chinese).
6. Zhu J., Cui Y., Chen Y.J., Zhou H.Q., Wang Y., Wei F. Recent researches on process from methanol to olefins. Huagong XuebaoCIESC Journal 2010, 61:1674-1684. (in Chinese).
7. Yu J. Supply and demand status of propylene market and its development trends. Petrochemical Industry Trends 2004, 12:35-38. (in Chinese).
8. Froment G.F., Dehertog W.J.H., Marchi A.J. Zeolite catalysis in the conversion of methanol into olefins. Catalysis 1992, 9:1-64.
9. Liu J., Zhang C.X., Shen Z.H., Hua W.M., Tang Y., Shen W., Yue Y.H., Xu H.L. Methanol to propylene: effect of phosphorus on a high silica HZSM-5 catalyst. Catalysis Communications 2009, 10:1506-1509.
10. Yang H.Q., Liu Z.C., Gao H.X., Xie Z.K. Synthesis and catalytic performances of hierarchical SAPO-34 monolith. Journal of Materials Chemistry 2010, 20:3227-3231.
11. Guan X.X., Zhang F.X., Wu C.J., Guan N.J. Synthesis and characterization of a basic molecular sieve: nitrogen incorporated SAPO-34. Materials Letters 2006, 60:3141-3144.
12. Song W.G., Haw J.F. Improved methanol to olefin catalyst with nanocages functionalized through ship-in-a bottle synthesis from PH3. Angewandte Chemie. International Edition 2003, 42:891-894.
13. Dehertog W.J.H., Froment G.F. Production of light alkenes from methanol on ZSM-5 catalysis. Applied Catalysis A: General 1991, 71:153-165.
14. Zhou H.Q., Wang Y., Wei F., Wang D.Z., Wang Z.W. Kinetics of the reactions of the light alkenes over SAPO-34. Applied Catalysis A: General 2008, 348:135-141.
15. Hutchings G.H., Hunter R. Hydrocarbon formation from methanol and dimethyl ether: a review of the experimental observations concerning the mechanism of formation of the primary products. Catalysis Today 1990, 6:279-295.
16. Del Campo A.E.S., Gayubo A.G., Aguayo A.T., Tarrio A., Bilbao J. Acidity, surface species, and mechanism of methanol transformation into olefins on a SAPO-34. Industrial and Engineering Chemistry Research 1998, 37:2336-2340.
17. Gayubo A.G., Aguayo A.T., del Campo A.E.G., Tarrio A.M., Bilbao J. Kinetic modeling of methanol transformation into olefins on a SAPO-34 catalyst. Industrial and Engineering Chemistry Research 2000, 39:292-300.
18. Park T.Y., Froment G.F. Kinetic modeling of the methanol to olefins process. 1, Model formulation. Industrial and Engineering Chemistry Research 2001, 40:4172-4186.
19. Park T.Y., Froment G.F. Kinetic modeling of the methanol to olefins process. 2. Experimental results, model discrimination and parameter estimation. Industrial and Engineering Chemistry Research 2001, 40:4187-4198.
20. lwahabi A.S.M., Froment G.F. Single event kinetic modeling of the methanol-to-olefins process on SAPO-34. Industrial and Engineering Chemistry Research 2004, 43:5098-5111.
21. Alwahabi S.M., Froment G.F. Conceptual reactor design for the methanol-to-olefins process on SAPO-34. Industrial and Engineering Chemistry Research 2004, 43:5112-5122.
22. Schoenfelder H., Hinderer J., Werther J., Keil F.J. Methanol to olefins-prediction of the performance of a circulating fluidized-bed reactor on the basis of kinetic experiments in a fixed-bed reactor. Chemical Engineering Science 1995, 49:5377-5390.
23. Soundararajan S., Dalai A.K., Berruti F. Modeling of methanol to olefins (MTO) process in a circulating fluidized bed reactor. Fuel 2001, 80:1187-1197.
24. Prinz D., Riekert L. Formation of ethane and propene from methanol on Zeolite ZSM-5. I. Investigation of rate and selectivity in a batch reactor. Applied Catalysis 1988, 37:139-148.
25. Bos A.N.R., Tromp P.J.J. Conversion of methanol to lower olefins. Kinetic modeling, reactor simulation, and selection. Industrial and Engineering Chemistry Research 1995, 34:3808-3916.
26. Gayubo A.G., Arandes J.M., Olazar M., Aguayo A.T., Bilbao J. Calculation of the kinetics of deactivation by coke for a silica-alumina catalyst in the dehydration of 2-ethylhexanol. Industrial and Engineering Chemistry Research 1993, 32:458-466.
27. Gayubo A.G., Arandes J.M., Aguayo A.T., Olazar M., Bilbao J. Calculation of the kinetics of deactivation by coke in integral reactor for a triangular scheme reaction. Chemical Engineering Science 1993, 48:1077-1087.
28. Benito P.L., Gayubo A.G., Aguayo A.T., Castilla M., Bilbao J. Concentration-dependent kinetic model for catalyst deactivation in the MTG process. Industrial and Engineering Chemistry Research 1996, 35:81-89.
29. Gayubo A.G., Benito P.J., Aguayo A.T., Castilla M., Bilbao J. Kinetic model of the MTG process taking into account the catalyst deactivation: reactor simulation. Chemical Engineering Science 1996, 51:3001-3006.
30. Aguayo A.T., Mier D., Gayubo A.G., Gamero M., Bilbao J. Kinetics of methanol transformation into hydrocarbons on a HZSM-5 zeolite catalyst at high temperature (400-550 degrees C). Industrial and Engineering Chemistry Research 2010, 49:12371-12378.
31. Gayubo A.G., Alonso A., Valle B., Aguayo A.T., Bilbao J. Kinetic model for the transformation of bioethanol into olefins over a HZSM-5 zeolite treated with alkali. Industrial and Engineering Chemistry Research 2010, 49:10836-10844.
32. Guardo A., Coussirat M., Larrayoz M.A., Recasens F., Egusquiza E. Influence of the turbulence model in CFD modeling of wall-to-fluid heat transfer in packed beds. Chemical Engineering Science 2005, 60:1733-1742.
33. Gayubo A.G., Aguayo A.T., Alonso A., Bilbao J. Kinetic modeling of the methanol-to-olefins process on a silicoaluminophosphate (SAPO-18) catalyst by considering deactivation and the formation of individual olefins. Industrial and Engineering Chemistry Research 2007, 46:1981-1989.
34. Gayubo A.G., Aguayo A.T., Vivanco R., Bilbao J. Kinetics of the irreversible deactivation of the HZSM-5 catalyst in the MTO process. Chemical Engineering Science 2003, 58:5239-5249.
35. Chen D., Gronvold A., Moljord K., Holmen A. Methanol conversion to light olefins over SAPO-34: reaction network and deactivation kinetics. Industrial and Engineering Chemistry Research 2007, 46:4116-4123.
36. Hu H., Cao F.H., Ying W.Y., Sun Q.W., Fang D.Y. Study of coke behaviour of catalyst during methanol-to-olefins process based on a special TGA reactor. Chemical Engineering Journal 2010, 160:770-778.
37. Nijemeisland M., Dixon A.G. CFD study of fluid flow and wall heat transfer in a fixed bed of spheres. AICHE Journal 2004, 50:906-921.
38. Bub G., Baerns M., Bussemeier B., Frohning C. Prediction of the performance of catalytic fixed bed reactors for Fischer-Tropsch synthesis. Chemical Engineering Science 1980, 33:348-352.
39. Dixon A.G., Nijemeisland M. CFD as a design tool for fixed-bed reactors. Industrial and Engineering Chemistry Research 2001, 40:5246-5254.
40. Calis H.P.A., Nijenhuis J., Paikert B.C., Dautzenberg F.M., Bleek C.M. CFD modeling and experimental validation of pressure drop and flow profile in a novel structured catalytic reactor packing. Chemical Engineering Science 2001, 56:1713-1724.
41. Ding J., Gidspow D. A bubbling fluidization model using kinetic-theory of granular flow. AICHE Journal 1990, 36:523-531.
42. Nijemeisland M., Dixon A.G. Comparison of CFD simulations to experiment for convective heat transfer in a gas-solid fixed bed. Chemical Engineering Journal 2001, 82:231-242.
43. Tian Z.F., Tu J.Y., Yeoh G.H. CFD studies of indoor airflow and contaminant particle transportation. Particulate Science and Technology 2007, 25:555-570.
44. Tian Z.F., Tu J.Y., Yeoh G.H. Numerical modelling and validation of gas-particle flow in an in-line tube bank. Computers and Chemical Engineering 2007, 31:1064-1072.
45. Coussirat M., Guardo A., Mateos B., Egusquiza E. Performance of stress-transport models in the prediction of particle-to-fluid heat transfer in packed beds. Chem. Eng. Sci. 2007, 62:6897-6907.
46. Guardo A., Coussirat M., Recasens F., Larrayoz M.A., Escaler X. CFD study on particle-to-fluid heat transfer in fixed bed reactors: convective heat transfer at low and high pressure. Chemical Engineering Science 2006, 61:4341-4353.
47. Salari D., Niaei A., Yazdi P.C., Derakhshani M., Nabavi S.R. CFD flow and heat transfer simulation for empty and packed fixed bed reactor in catalytic cracking of naphtha. Conference of the World-Academy-of-Science-Engineering-and-Technology 2008, 67-70. World Academy Science Publications, Berlin, Germany. C. Ardil (Ed.).
48. Shahhosseini Sh., Alinia S., Irani M. CFD simulation of fixed bed reactor in Fischer-Tropsch synthesis of GTL technology. Conference of the World-Academy-of-Science-Engineering-and-Technology 2009, 585-589. World Academy Science Publications, Berlin, Germany. C. Ardil (Ed.).
49. P. Spalart, S. Allmaras, A one-equation turbulence model for aerodynamic flows, Technical Report, American Institute of Aeronautics and Astronautics, AIAA-92-0439. (1992).
50. Jiang J., Zhang Z.X., Chen J.S. Simulaton and operation analysis for ethylene oxide production by ethylene oxidation in a fixed-bed reactor. Chemical Reaction Engineering and Technology 2006, 3:98-102. (In Chinese).
51. Gao J.W., Y.Z Advances in conversion process of methanol to light olefins and its catalyst. Industrial Catalysis 2005, 13:226-231. (In Chinese).
52. Zhang Y. Discussions about some issues in the design of the fixed bed reactor. Chem. Eng. Of Tianjin. 2001, 1:32-33. (In Chinese).
53. Wakao N., Kaguei S. Heat and Mass Transfer in Packed Beds 1982, 23-102. Gordon and Breach Science Publishers, New York, US.
54. Sun S.F., Lan X.Y., Ma S.J., Gao J.S. Numerical simulation of the transfer and reaction processes in catalytic reforming fixed bed reactors. Acta Petrolei Sinica (Petroleum Processing Section) 2008, 24:38-45. (In Chinese).
55. Guardo A., Coussirat M., Larrayoz M.A., Recasens F., Egusquiza E. CFD flow and heat transfer in nonregular packings for fixed bed equipment design. Industrial and Engineering Chemistry Research 2004, 43:7049-7056.
56. Durbin P.A., Petterson B.A. Statistical Theory and Modeling for Turbulent Flows 2001, 138-139. Wiley, New York.
57. Launder B.E., Spalding D.E. The numerical computation of turbulent flows. Computer Methods in Applied Mechanics and Engineering 1974, 3:269-289.
58. Chen D., Rebo H.P., Gronvold A., Moljord K., Holmen A. Methanol conversion to light olefins over SAPO-34: kinetic modeling of coke formation. Microporous and Mesoporous Materials 2000, 35:121-135.
59. Wang Y.D., Luo G.S., Liu Q. The Principle of Transfer Processes 2001, 211-213. Tsinghua University Press Inc, Beijing, China, (In Chinese).
60. Reid R.C., Prausnitz J.M., Poling B.E. The Properties of Gases and Liquids (4th Edition) 1987, 125-137. McGraw-Hill Press Inc, New York, US.
61. Shackelford J., Alexande W., Pork J.S. CRC Materials Science and Engineering Handbook 2002, 1-237. CRC Press Inc, New York, US.
62. Liang J., Li H., Zhao S., Guo W., Wang R., Ying M. Characteristics and performance of SAPO-34 catalyst for methanol-to-olefin conversion. Applied Catalysis A: General 1990, 64:31-40.
63. Aguayo A., Campo A.E.S.D., Gayubo A.G., Tarrio A., Bilbao J. Deactivation by coke of a catalyst based on a SAPO-34 in the transformation of methanol into olefins. Journal of Chemical Technology and Biotechnology 1999, 74:315-321.
64. Wu X.C., Michael G.A., Rayford G.A. Methanol conversion on SAPO-34: reaction condition for fixed-bed reactor. Applied Catalysis A: General 2004, 260:63-69.