Evidence of Scrambling over Ruthenium-based Catalysts in Supercritical-water Gasification

ChemCatChem

Volumn 4, Issue 8, 2012, Pages 1185-1189

  Peterson, Andrew A ^a,c,e   Dreher, Marian ^d   Wambach, Jörg ^d   Nachtegaal, Maarten ^d   Dahl, Søren ^c   Nørskov, Jens K ^a,b   Vogel, Frédéric ^d  

^a Stanford University   (United States)

^b SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^c TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^d PAUL SCHERRER INSTITUTE   (Switzerland)

^e Brown University   (United States)

Author keywords

Biomass; Density functional calc.; Gasification; Heterogeneous catalysis; Supercritical water

Indexed keywords

BATCH EXPERIMENTS; CATALYST MATERIAL; CATALYTIC PROCESS; DENSITY FUNCTIONALS; DESCRIPTORS; DEUTERATED WATER; ELECTRONIC STRUCTURE CALCULATIONS; HIGH CONVERSIONS; ISOTOPOMERS; MODERATE TEMPERATURE; ORGANICS; RESISTANCE TO POISONING; RU CATALYSTS; SUPERCRITICAL; SUPERCRITICAL WATER; SUPERCRITICAL WATER GASIFICATION; SYNTHETIC NATURAL GAS;

BIOMASS; CARBON; CATALYSIS; CATALYST SUPPORTS; DEUTERIUM; ELECTRONIC STRUCTURE; EXPERIMENTS; GASIFICATION; HYDROGEN; METHANATION; METHANE; RUTHENIUM; RUTHENIUM COMPOUNDS;

CATALYST POISONING;

EID: 84864371177     PISSN: 18673880     EISSN: 18673899     Source Type: Journal    
DOI: 10.1002/cctc.201100450     Document Type: Article

References (39)

1. M. Modell in Fundamentals of thermochemical biomass conversion (Eds.: R. Overend, T. Milne, L. Mudge), Elsevier, London, 1985, pp.95-119.
2. M. Antal, Jr., S. Allen, D. Schulman, X. Xu, R. Divilio, Ind. Eng. Chem. Res. 2000, 39, 4040.
3. Y. Matsumura, T. Minowa, B. Potic, S. Kersten, W. Prins, W. VanSwaaij, B. VanDeBeld, D. Elliott, G. Neuenschwander, A. Kruse, M. Antal, Jr., Biomass Bioenergy 2005, 29, 269.
4. M. Osada, O. Sato, K. Arai, M. Shirai, Energy Fuels 2006, 20, 2337.
5. D. Elliott, T. Hart, G. Neuenschwander, Ind. Eng. Chem. Res. 2006, 45, 3776.
6. M. Osada, N. Hiyoshi, O. Sato, K. Arai, M. Shirai, Energy Fuels 2007, 21, 1400.
7. F. Vogel, M. Waldner, A. Rouff, S. Rabe, Green Chem. 2007, 9, 616.
8. D. C. Elliott, Biofuels Bioprod. Biorefin. 2008, 2, 254.
9. A. Kruse, Biofuels Bioprod. Biorefin. 2008, 2, 415.
10. A. A. Peterson, F. Vogel, R. P. Lachance, M. Fröling, M. J. Antal, Jr., J. W. Tester, Energy Environ. Sci. 2008, 1, 32.
11. M. Osada, N. Hiyoshi, O. Sato, K. Arai, M. Shirai, Energy Fuels 2008, 22, 845.
12. M. Osada, N. Hiyoshi, O. Sato, K. Arai, M. Shirai, Energy Fuels 2007, 21, 1854.
13. M. H. Waldner, F. Krumeich, F. Vogel, J. Supercrit. Fluids 2007, 43, 91.
14. M. Waldner, F. Vogel, Ind. Eng. Chem. Res. 2005, 44, 4543.
15. J. R. Rostrup-Nielsen, J. Sehested, J. K. Nørskov, Adv. Catal. 2002, 47, 65.
16. K. Park, H. Tomiyasu, Chem. Commun. 2003, 694.
17. J. Wei, E. Iglesia, J. Phys. Chem. B 2004, 108, 7253.
18. T. Bligaard, J. Nørskov, S. Dahl, J. Matthiesen, C. Christensen, J. Sehested, J. Catal. 2004, 224, 206.
19. M. Osada, O. Sato, M. Watanabe, K. Arai, M. Shirai, Energy Fuels 2006, 20, 930.
20. G. Jones, J. G. Jakobsen, S. S. Shim, J. Kleis, M. P. Andersson, J. Rossmeisl, F. Abild-Pedersen, T. Bligaard, S. Helveg, B. Hinnemann, J. R. Rostrup-Nielsen, I. Chorkendorff, J. Sehested, J. K. Nørskov, J. Catal. 2008, 259, 147.
21. D. W. Blaylock, T. Ogura, W. H. Green, G. J. O. Beran, J. Phys. Chem. C 2009, 113, 4898.
22. L. Qian, Y. Ren, H. Yu, Y. Wang, B. Yue, H. He, Appl. Catal. A 2011, 401, 114.
23. W. C. Ketchie, E. P. Maris, R. J. Davis, Chem. Mater. 2007, 19, 3406.
24. A. Yamaguchi, N. Hiyoshi, O. Sato, M. Osada, M. Shirai, Catal. Lett. 2008, 122, 188.
25. S. Rabe, M. Nachtegaal, T. Ulrich, F. Vogel, Angew. Chem. 2010, 122, 6579; Angew. Chem. Int. Ed. 2010, 49, 6434.
26. P. E. Blöchl, Phys. Rev. B 1994, 50, 17953.
27. J. J. Mortensen, L. B. Hansen, K. W. Jacobsen, Phys. Rev. B 2005, 71, 035109.
28. J. Enkovaara, C. Rostgaard, J. J. Mortensen, J. Chen, M. DuŃak, L. Ferrighi, J. Gavnholt, C. Glinsvad, V. Haikola, H. A. Hansen, H. H. Kristoffersen, M. Kuisma, A. H. Larsen, L. Lehtovaara, M. Ljungberg, O. Lopez-Acevedo, P. G. Moses, J. Ojanen, T. Olsen, V. Petzold, N. A. Romero, J. Stausholm-Møller, M. Strange, G. A. Tritsaris, M. Vanin, M. Walter, B. Hammer, H. Häkkinen, G. K. H. Madsen, R. M. Nieminen, J. K. Nørskov, M. Puska, T. T. Rantala, J. Schiøtz, K. S. Thygesen, K. W. Jacobsen, J. Phys. Condens. Matter 2010, 22, 253202.
29. GPAW and ASE are both open-source codes freely available from the Department of Physics at the Technical University of Denmark, at
30. B. Hammer, L. B. Hansen, J. K. Nørskov, Phys. Rev. B 1999, 59, 7413.
31. C. J. Cramer, Essentials of Computational Chemistry, 2nded., Wiley, 2004.
32. W. Wagner, A. Pruß, J. Phys. Chem. Ref. Data 2002, 31, 387.
33. S. Wang, V. Petzold, V. Tripkovic, J. Kleis, J. G. Howalt, E. Skúlason, E. M. Fernández, B. Hvolbæk, G. Jones, A. Toftelund, H. Falsig, M. Björketun, F. Studt, F. Abild-Pedersen, J. Rossmeisl, J. K. Nørskov, T. Bligaard, Phys. Chem. Chem. Phys. 2011, 13, 20760.
34. M. M. Hoffmann, M. S. Conradi, J. Am. Chem. Soc. 1997, 119, 3811.
35. G. E. Walrafen, W.-H. Yang, Y. C. Chu, J. Phys. Chem. B 1999, 103, 1332.
36. D. Bröll, C. Kaul, A. Krämer, P. Krammer, T. Richter, M. Jung, H. Vogel, P. Zehner, Angew. Chem. 1999, 111, 3180; Angew. Chem. Int. Ed. 1999, 38, 2998.
37. Y. Marcus, Phys. Chem. Chem. Phys. 2000, 2, 1465.
38. H. Weingärtner, E. U. Franck, Angew. Chem. 2005, 117, 2730; Angew. Chem. Int. Ed. 2005, 44, 2672.
39. D. Schissler, S. Thompson, J. Turkevich, Discuss. Faraday Soc. 1951, 10, 46.