Extension of the single-event microkinetic model to alkyl substituted monoaromatics hydrogenation on a Pt catalyst

ACS Catalysis

Volumn 2, Issue 7, 2012, Pages 1305-1318

  Bera, Tapan ^a   Thybaut, Joris W ^a   Marin, Guy B ^a  

^a GHENT UNIVERSITY   (Belgium)

Author keywords

hydrogenation; monoaromatics; noble metal; o xylene; platinum; single event microkinetic modeling; toluene

Indexed keywords

A-CARBON; ADDITION RATE; ADDITIONAL REACTIONS; ADJUSTABLE PARAMETERS; AROMATIC RINGS; BENZENE HYDROGENATION; CARBON ATOMS; CATALYST SURFACES; DIFFERENTIAL CONTRIBUTION; EXPERIMENTAL DATA; GASPHASE; HYDROCARBON SPECIES; IN-LINE; MICROKINETIC MODELING; MICROKINETIC MODELS; MONOAROMATICS; NEAREST NEIGHBORS; O-XYLENE; PT CATALYSTS; REACTION PATH ANALYSIS; SINGLE-EVENTS; STERIC HINDRANCES; TEMPERATURE RANGE; TERTIARY CARBON ATOM; THERMODYNAMIC CONSTRAINTS; TOTAL PRESSURE;

ACTIVATION ENERGY; AROMATIC COMPOUNDS; ATOMS; BENZENE; CARBON; CATALYST SUPPORTS; CHEMISORPTION; EXPERIMENTS; HYDROCARBONS; PLATINUM; PRECIOUS METALS; REGRESSION ANALYSIS; TOLUENE; XYLENE;

HYDROGENATION;

EID: 84863617032     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs300051j     Document Type: Article

References (52)

1. Cooper, B. H.; Donnis, B. B. L. Appl. Catal., A 1996, 137 (2) 203-223
2. Nag, N. K. Appl. Catal. 1984, 10 (1) 53-62
3. Sapre, A. V.; Gates, B. C. Ind. Eng. Chem. Proc. Des. Dev. 1981, 20 (1) 68-73
4. Girgis, M. J.; Gates, B. C. Ind. Eng. Chem. Res. 1991, 30 (9) 2021-2058
5. Aubert, C.; Durand, R.; Geneste, P.; Moreau, C. J. Catal. 1988, 112 (1) 12-20
6. Rautanen, P. A.; Lylykangas, M. S.; Aittamaa, J. R.; Krause, A. O. I. Stud. Surf. Sci. Catal. 2001, 133, 309-316
7. Corma, A.; Iglesias, M.; Sanchez, F. Catal. Lett. 1995, 32 (3-4) 313-318
8. Keane, M. A.; Patterson, P. M. Ind. Eng. Chem. Res. 1999, 38 (4) 1295-1305
9. Rynkowski, J.; Rajski, D.; Szyszka, I.; Grzechowiak, J. R. Catal. Today 2004, 90 (1-2) 159-166
10. Smeds, S.; Murzin, D.; Salmi, T. Appl. Catal., A 1997, 150 (1) 115-129
11. Mirodatos, C.; Dalmon, J. A.; Martin, G. A. J. Catal. 1987, 105 (2) 405-415
12. Rahaman, M. V.; Vannice, M. A. J. Catal. 1991, 127 (1) 267-275
13. Lindfors, L. P.; Salmi, T.; Smeds, S. Chem. Eng. Sci. 1993, 48 (22) 3813-3828
14. Lin, S. D.; Vannice, M. A. J. Catal. 1993, 143 (2) 563-572
15. Vanmeerten, R. Z. C.; Coenen, J. W. E. J. Catal. 1977, 46 (1) 13-24
16. Thybaut, J. W.; Saeys, M.; Marin, G. B. Chem. Eng. J. 2002, 90 (1-2) 117-129
17. Saeys, M.; Reyniers, M. F.; Neurock, M.; Marin, G. B. J. Phys. Chem. B 2005, 109 (6) 2064-2073
18. Saeys, M.; Reyniers, M. F.; Thybaut, J. W.; Neurock, M.; Marin, G. B. J. Catal. 2005, 236 (1) 129-138
19. Froment, G. F. Catal. Rev.- Sci. Eng. 2005, 47 (1) 83-124
20. Park, T. Y.; Froment, G. F. Ind. Eng. Chem. Res. 2001, 40 (20) 4172-4186
21. Feng, W.; Vynckier, E.; Froment, G. F. Ind. Eng. Chem. Res. 1993, 32 (12) 2997-3005
22. Dewachtere, N. V.; Santaella, F.; Froment, G. F. Chem. Eng. Sci. 1999, 54 (15-16) 3653-3660
23. Beirnaert, H. C.; Alleman, J. R.; Marin, G. B. Ind. Eng. Chem. Res. 2001, 40 (5) 1337-1347
24. Svoboda, G. D.; Vynckier, E.; Debrabandere, B.; Froment, G. F. Ind. Eng. Chem. Res. 1995, 34 (11) 3793-3800
25. Martens, G. G.; Marin, G. B.; Martens, J. A.; Jacobs, P. A.; Baron, G. V. J. Catal. 2000, 195 (2) 253-267
26. Martens, G. G.; Thybaut, J. W.; Marin, G. B. Ind. Eng. Chem. Res. 2001, 40 (8) 1832-1844
27. Thybaut, J. W.; Marin, G. B. Chem. Eng. Technol. 2003, 26 (4) 509-514
28. Thybaut, J. W.; Marin, G. B.; Baron, G. V.; Jacobs, P. A.; Martens, J. A. J. Catal. 2001, 202 (2) 324-339
29. Lozano-Blanco, G.; Thybaut, J. W.; Surla, K.; Galtier, P.; Marin, G. B. Ind. Eng. Chem. Res. 2008, 47 (16) 5879-5891
30. Bera, T.; Thybaut, J. W.; Marin, G. B. Ind. Eng. Chem. Res. 2011, 50 (23) 12933-12945
31. Martens, J. A.; Parton, R.; Uytterhoeven, L.; Jacobs, P. A.; Froment, G. F. Appl. Catal. 1991, 76 (1) 95-116
32. Neurock, M. J. Catal. 2003, 216 (1-2) 73-88
33. Somorjai, G. A. Chemistry in two dimensions: surfaces; Cornell University Press: Ithaca, NY, 1981; p 575.
34. Steijns, M.; Froment, G. F. Ind. Eng. Chem. Prod. Res. Dev. 1981, 20 (4) 660-668
35. Bos, A. N. R.; Lefferts, L.; Marin, G. B.; Steijns, M. H. G. M. Appl. Catal., A 1997, 160 (1) 185-190
36. Berger, R. J.; Stitt, E. H.; Marin, G. B.; Kapteijn, F.; Moulijn, J. A. Cattech 2001, 5 (1) 30-60
37. Marquardt, D. W. J. Soc. Ind. Appl. Math. 1963, 11 (2) 431-441
38. NETLIB, http://www.netlib.org.
39. Powell, M. J. D. A Hybrid Method for Nonlinear Equations. In Numerical Methods for Nonlinear Algebraic Equations; Rabinowitz, P., Ed.; Gordon and Breach Science Publishers: New York, 1988.
40. Qi, C.; Hoebink, J. H. B. J.; Marin, G. B. Ind. Eng. Chem. Res. 1991, 30 (9) 2088-2097
41. Quintana-Solorzano, R.; Thybaut, J. W.; Galtier, P.; Marin, G. B. Catal. Today 2007, 127 (1-4) 17-30
42. Vanmeerten, R. Z. C.; Degraaf, T. F. M.; Coenen, J. W. E. J. Catal. 1977, 46 (1) 1-12
43. Huang, T. C.; Kang, B. C. Ind. Eng. Chem. Res. 1995, 34 (9) 2955-2963
44. Saeys, M.; Reyniers, M. F.; Marin, G. B.; Neurock, M. J. Phys. Chem. B 2002, 106 (30) 7489-7498
45. Vynckier, E.; Froment, G. F. Modelling of the kinetics of complex processes based upon elementary steps; Elsevier: Amsterdam, The Netherlands, 1991; pp 131-161.
46. Dumesic, J. A.; Rudd, D. F.; Aparicio, L. M.; Rekoske, J. E.; Trevio, A. A. The Microkinetics of Heterogeneous Catalysis; Americal Chemical Society: Washington, DC, 1993.
47. Campbell, C. T.; Sun, Y. K.; Weinberg, W. H. Chem. Phys. Lett. 1991, 179 (1-2) 53-57
48. Toppinen, S.; Rantakyla, T. K.; Salmi, T.; Aittamaa, J. Ind. Eng. Chem. Res. 1996, 35 (6) 1824-1833
49. Toppinen, S.; Rantakyla, T. K.; Salmi, T.; Aittamaa, J. Ind. Eng. Chem. Res. 1996, 35 (12) 4424-4433
50. Kubicka, D.; Salmi, T.; Murzin, D. Y. Catal. Today 2005, 100 (3-4) 453-456
51. Lin, S. D.; Vannice, M. A. J. Catal. 1993, 143 (2) 539-553
52. Backman, H.; Neyestanaki, A. K.; Murzin, D. Y. J. Catal. 2005, 233 (1) 109-118