Pyrolysis mechanism of carbon matrix precursor cyclohexane(V) - Formation process of benzene from C4 species

Journal of Molecular Structure: THEOCHEM

Volumn 678, Issue 1-3, 2004, Pages 39-48

  Hui, Wang ^a   Yang, Haifeng ^a   Ran, Xinquan ^a   Shi, Qizhen ^a   Wen, Zhenyi ^a  

^a NORTHWEST UNIVERSITY   (China)

Author keywords

1,3 Butadiene; B3LYP 6 31+G* computation; Carbon carbon composites; Cyclohexane; Pyrolysis mechanism

Indexed keywords

BENZENE; CARBON; CYCLOHEXANE;

ANALYTIC METHOD; ARTICLE; CHEMICAL PARAMETERS; PRECURSOR; PRESSURE; PYROLYSIS; REACTION ANALYSIS; TEMPERATURE; THEORETICAL STUDY; THERMODYNAMICS;

EID: 2442429481     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.02.029     Document Type: Article

References (17)

1. Bruneton E., Narcy B., Oberlin A. Carbon. 35:1997;1593
2. M. Houdayer, J. Spitz, D. Tran-Van, US Patent No. 4472454, 1984.
3. D.T. Scaringella, D.E. Connors Jr., G. S. Thurston, US Patent No. 5547717, 1996.
4. G.S. Thurston, R.J. Suplinskas, T.J. Carroll, D.F. Connors Jr., D.T. Scaringella, R.C. Krutenat, US Patent No. 5389152, 1995.
5. G.S. Thurston, R.J. Suplinskas, T.J. Carroll, D.F. Connors Jr., D.T. Scaringella, R. C. Krutena, US Patent No. 5733611, 1998.
6. Wang H., Yang H.F., Ran X.Q., Shi Q.Z., Weng Z.Y. Journal of Molecular Structure (Theochem). 571:2001;115-131
7. Wang H., Yang H.F., Ran X.Q., Shi Q.Z., Weng Z.Y. Journal of Molecular Structure (Theochem). 581:2002;187-194
8. Yang H.F., Wang H., Ran X.Q., Shi Q.Z., Weng Z.Y. Journal of Molecular Structure (Theochem). 618:2002;209-217
9. Benzinger W., Becker A., Huttinger K.J. Carbon. 34:(8):1996;957-966
10. Becker A., Huttinger K.J. Carbon. 36:(3):1998;177-199
11. Becker A., Huttinger K.J. Carbon. 36:(3):1998;201-211
12. Becker A., Huttinger K.J. Carbon. 36:(3):1998;213-224
13. Becker A., Huttinger K.J. Carbon. 36:(3):1998;225-232
14. Westmoreland P.R., Dean A.M., Howard J.B., Longwell J.P. Journal of Physics and Chemistry. 93:1989;8171
15. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Oritz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople. GAUSSIAN 98, Revision A.6, Gaussian, Inc., Pittsburgh, PA, 1998.
16. David R.L. Handbook of Chemistry and Physics. 77th ed. 1996;5-29 CRC Press, Boca Raton, FL
17. David R.L. Handbook of Chemistry and Physics. 77th ed. 1996;9-27 CRC Press, Boca Raton, FL