Kinetic modeling of pt-catalyzed glycolaldehyde decomposition to syngas

Journal of Physical Chemistry A

Volumn 116, Issue 18, 2012, Pages 4621-4628

  Salciccioli, Michael ^a   Vlachos, Dionisios G ^a  

^a University of Delaware   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; BIMETALLIC CATALYSTS; C-H BOND; COMPUTATIONAL PREDICTIONS; DECOMPOSITION PATHWAY; ELEMENTARY REACTION; GLYCOLALDEHYDES; KINETIC MODELING; MICROKINETIC MODELS; O-H BOND; PT-CATALYZED; RATE-CONTROLLING; REACTOR SYSTEMS; SURFACE COVERAGES; SYN-GAS; TRANSITION METAL CATALYSTS;

CATALYSIS; CATALYSTS; HYDROGEN; PLATINUM; SYNTHESIS GAS; TRANSITION METALS;

ALDEHYDES;

ACETALDEHYDE; CARBON MONOXIDE; DRUG DERIVATIVE; GLYCOLALDEHYDE; HYDROGEN; NICKEL; OXYGEN; PLATINUM;

ARTICLE; BIOMASS; CATALYSIS; CHEMICAL MODEL; CHEMISTRY; HYDROGENATION; KINETICS; PRESSURE; QUANTUM THEORY; SURFACE PROPERTY; THERMODYNAMICS;

ACETALDEHYDE; BIOMASS; CARBON MONOXIDE; CATALYSIS; HYDROGEN; HYDROGENATION; KINETICS; MODELS, CHEMICAL; NICKEL; OXYGEN; PARTIAL PRESSURE; PLATINUM; QUANTUM THEORY; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 84861083740     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3017216     Document Type: Article

References (58)

1. Salciccioli, M.; Yu, W.; Barteau, M. A.; Chen, J. G.; Vlachos, D. G. J. Am. Chem. Soc. 2011, 133, 7996
2. Skoplyak, O.; Barteau, M. A.; Chen, J. G. J. Phys. Chem. B 2006, 110, 1686
3. Skoplyak, O.; Menning, C. A.; Barteau, M. A.; Chen, J. G. Top. Catal. 2008, 51, 49
4. Yu, W.; Barteau, M. A.; Chen, J. G. J. Am. Chem. Soc. 2011, 133, 20528
5. Ren, H.; Hansgen, D. A.; Stottlemyer, A. L.; Kelly, T. G.; Chen, J. G. ACS Catal. 2011, 1, 390
6. Kelly, T. G.; Stottlemyer, A. L.; Ren, H.; Chen, J. G. J. Phys. Chem. C 2011, 115, 6644
7. Elliott, D. C. Energy Fuels 2007, 21, 1792
8. Davda, R. R.; Shabaker, J. W.; Huber, G. W.; Cortright, R. D.; Dumesic, J. A. Appl. Catal. B, Environ. 2005, 56, 171
9. Skoplyak, O.; Barteau, M. A.; Chen, J. G. Chemsuschem 2008, 1, 524
10. Skoplyak, O.; Barteau, M. A.; Chen, J. G. Surf. Sci. 2008, 602, 3578
11. Stottlemyer, A. L.; Ren, H.; Chen, J. G. Surf. Sci. 2009, 603, 2630
12. Maestri, M.; Reuter, K. Angew. Chem., Int. Ed. 2011, 123, 1226
13. Nørskov, J. K.; Bligaard, T.; Rossmeisl, J.; Christensen, C. H. Nature Chem. 2009, 1, 37
14. Jacobsen, C. J. H.; Dahl, S.; Clausen, B. S.; Bahn, S.; Logadottir, A.; Nørskov, J. K. J. Am. Chem. Soc. 2001, 123, 8404
15. Jones, G.; Bligaard, T.; Abild-Pedersen, F.; Nørskov, J. K. J. Phys.: Condens. Matter 2008, 20, 064239
16. Hansgen, D. A.; Vlachos, D. G.; Chen, J. G. G. Nature Chem. 2010, 2, 484
17. Gayubo, A. G.; Valle, B.; Aguayo, A. T.; Olazar, M.; Bilbao, J. J. Chem. Technol. Biotechnol. 2010, 85, 132
18. Medlin, J. W. ACS Catal. 2011, 1284
19. Michel, C.; Auneau, F.; Delbecq, F.; Sautet, P. ACS Catal. 2011, 1, 1430
20. Kruger, J. S.; Rennard, D. C.; Josephson, T. R.; Schmidt, L. D. Energy Fuels 2011, 25, 3157
21. Kruger, J. S.; Rennard, D. C.; Josephson, T. R.; Schmidt, L. D. Energy Fuels 2011, 25, 3172
22. Salciccioli, M.; Edie, S. M.; Vlachos, D. G. J. Phys. Chem. C 2012, 116, 1873
23. Salciccioli, M.; Vlachos, D. G. ACS Catal. 2011, 1, 1246
24. Salciccioli, M.; Chen, Y.; Vlachos, D. G. J. Phys. Chem. C 2010, 114, 20155
25. ZumMallen, M. P.; Schmidt, L. D. J. Catal. 1996, 161, 230
26. Blaylock, D. W.; Ogura, T.; Green, W. H.; Beran, G. J. O. J. Phys. Chem. C 2009, 113, 4898
27. Mhadeshwar, A. B.; Vlachos, D. G. Ind. Eng. Chem. Res. 2007, 46, 5310
28. Burcat, A.; Ruscic, B. (2005. http://garfield.chem.elte.hu/Burcat/BURCAT. THR
29. Salciccioli, M.; Stamatakis, M.; Caratzoulas, S.; Vlachos, D. G. Chem. Eng. Sci. 2011) 66, 4319
30. Houston, P. L. Chemical Kinetics and Reaction Dynamics; Dover Publications, INC.: Mineola, NY, 2001.
31. OrdejoÌn, P.; Artacho, E.; Soler, J. M. Phys. Rev. B 1996, 53, 10441
32. Soler, J. M.; Artacho, E.; Gale, J. D.; Garcia, A.; Junquera, J.; Ordejon, P.; Sanchez-Portal, D. J. Phys.: Condens. Matter 2002, 14, 2745
33. Troullier, N.; Martins, J. L. Phys. Rev. B 1991, 43, 8861
34. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865
35. Chen, J. G.; Menning, C. A.; Zellner, M. B. Surf. Sci. Rep. 2008, 63, 201
36. Zhang, C. J.; Hu, P. J. Am. Chem. Soc. 2000, 122, 2134
37. Zhang, C. J.; Hu, P.; Lee, M. H. Surf. Sci. 1999, 432, 305
38. Alavi, A.; Hu, P. J.; Deutsch, T.; Silvestrelli, P. L.; Hutter, J. Phys. Rev. Lett. 1998, 80, 3650
39. Wang, D.; Montane, D.; Chornet, E. Appl. Catal., A 1996, 143, 245
40. Kandoi, S.; Greeley, J.; Simonetti, D.; Shabaker, J.; Dumesic, J. A.; Mavrikakis, M. J. Phys. Chem. C 2011, 115, 961
41. He, R.; Davda, R. R.; Dumesic, J. A. J. Phys. Chem. B 2005, 109, 2810
42. Dumesic, J. A.; Rudd, D. F.; Aparicio, L. M.; Rekoske, J. E.; Treviño, A. A. The Microkinetics of Heterogeneous Catalysis; American Chemical Society: Washington DC, 1993.
43. Gokhale, A. A.; Kandoi, S.; Greeley, J. P.; Mavrikakis, M.; Dumesic, J. A. Chem. Eng. Sci. 2004, 59, 4679
44. Cao, X.-M.; Burch, R.; Hardacre, C.; Hu, P. J. Phys. Chem. C 2011, 115, 19819
45. Salciccioli, M.; Chen, Y.; Vlachos, D. G. Ind. Eng. Chem. Res. 2011, 50, 28
46. Schnaidt, J.; Heinen, M.; Jusys, Z.; Behm, R. J. J. Phys. Chem. C 2011, 116, 2872
47. Dougherty, E. P.; Rabitz, H. J. Chem. Phys. 1980, 72, 6571
48. Kramer, M. A.; Rabitz, H.; Calo, J. M.; Kee, R. J. Int. J. Chem. Kinet. 1984, 16, 559
49. Rabitz, H. Comput. Chem. 1981, 5, 167
50. Rabitz, H.; Kramer, M.; Dacol, D. Annu. Rev. Phys. Chem. 1983, 34, 419
51. Campbell, C. T. Top. Catal. 1994, 1, 353
52. Campbell, C. T. J. Catal. 2001, 204, 520
53. Choi, Y.; Liu, P. J. Am. Chem. Soc. 2009, 131, 13054
54. Raimondeau, S.; Vlachos, D. G. Chem. Eng. J. 2002, 90, 3
55. Podkolzin, S. G.; Alcala, R.; de Pablo, J. J.; Dumesic, J. A. J. Phys. Chem. B 2002, 106, 9604
56. Chen, J. G. G.; Skoplyak, O.; Menning, C. A.; Barteau, M. A. Abstracts of Papers of the American Chemical Society 2008, 236.
57. Skoplyak, O.; Menning, C. A.; Barteau, M. A.; Chen, J. G. J. Chem. Phys. 2007, 127, 114707
58. Humbert, M. P.; Chen, J. G. J. Catal. 2008, 257, 297