Quantum Chemical Study of the Catalytic Oxidative Coupling of Methane

Industrial and Engineering Chemistry Research

Volumn 36, Issue 10, 1997, Pages 4028-4032

  Onal, Isik ^a   Senkan, Selim ^b  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CATALYSTS; MAGNESIA; MATHEMATICAL MODELS; METHANE; METHANOL; OXIDATION; QUANTUM THEORY;

MOLECULAR ORBITAL METHOD; OXIDATIVE COUPLING;

CATALYSIS;

EID: 0031256938     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (17)

1. Amenomiya, Y.; Birss,V. I.; Goledzinowski, M.; Galuszka, J.; Sanger, A. R. Conversion of Methane by Oxidative Coupling. Catal. Rev. Sci. Eng. 1990, 32, 163.
2. 3/MgO, and MgO Catalytic Surfaces. J. Catal. 1994, 150, 71.
3. Dubois, J. L.; Cameron, C. J. Common Features of Oxidative Coupling of Methane Cofeed Catalysts. Appl. Catal. 1990, 67, 49.
4. Fowler, P. W.; Tole, P. Effects of Coordination Number on Surface Anions: An ab Initio Study of LiF and MgO. Appl. Catal. 1988, 457.
5. Hinsen, W.; Bytyn, W.; Baerns, M. Oxidative Dehydrogenation and Coupling of Methane. In Proceedings, 8th International Congress on Catalysis, Berlin; Verlag Chemie: Frankfurt, 1984; Vol. 3, p 581.
6. Hutchings, G. J.; Scurrell, M. S.; Woodhouse, J. R. Oxidative Coupling of Methane Using Oxide Catalysts. Chem. Soc. Rev. 1989, 18, 251.
7. Ito, T.; Pang, X.; Lin, C. H.; Lunsford, J. H. Oxidative Dimerization of Methane over a Lithium-Promoted Magnesium Oxide Catalyst. J. Am. Chem. Soc. 1985, 107, 5062.
8. Ito, T.; Tashiro, T.; Kawasaki, M.; Watanabe, T.; Toi, K.; Kobayashi, H. Adsorption of Methane on Magnesium Oxide Studied by Temperature-Programmed Desorption and ab Initio Molecular Orbital Methods. J. Phys. Chem. 1991, 95, 4476.
9. Keller, G. E.; Bhasin, M. M. Synthesis of Ethylene via Oxidative Coupling of Methane. J. Catal. 1982, 73, 9.
10. Lee, J. S.; Oyama, S. T. Oxidative Coupling of Methane to Higher Hydrocarbons. Catal. Rev. Sci. Eng. 1988, 32, 249.
11. Mallens, E. P. J.; Hoebink, J. H. B. J.; Marin, G. B. An Investigation of the Oxygen Pathways in the Oxidative Coupling of Methane over MgO-Based Catalysts. J. Catal. 1996, 160, 222.
12. Poveda, F. M.; Sierraalta, A.; Villaveces, J. L.; Ruette, F. Modelling Carbon Chemisorption on a Nickel Catalyst. J. Mol. Catal. A: Chem. 1996, 106, 109.
13. Stewart, J. J. P. Special Issue-MOPAC-A Semiempirical Molecular Orbital Program. J. Comput.-Aided Mol. Des. 1989, 4, 1.
14. Stewart, J. J. P. Optimization of Parameters for Semiempirical Methods. J. Comput. Chem. 1991, 12, 320.
15. Zhanpeisov, N. U.; Baerns, M. Cluster Quantum Chemical Study of the Chemisorption of Methane on a Lithium-Promoted Magnesium Oxide Doped by Zinc Oxide. J. Mol. Catal. A: Chem. 1995, 99, 139.
16. Zhanpeisov, N. U.; Pelmenchikov, A. G.; Zhidomirov, G. M. Cluster Quantum Chemical Study of Interaction of Molecules With a Magnesium Oxide Surface. Kinet. Catal. 1990, 31, 563.
17. Zhanpeisov, N. U.; Staemmler, V.; Baerns, M. A. Quantum Chemical MINDO/3 Study of Methane and Oxygen Interactions with a Pure and a Modified Calcium Oxide Surface. J. Mol. Catal. A: Chem. 1995, 101, 51.