Experimental and computational study of diethyl sulfide pyrolysis and mechanism

Proceedings of the Combustion Institute

Volumn 32 I, Issue 1, 2009, Pages 469-476

  Zheng, Xin ^a   Fisher, E M ^a   Gouldin, F C ^a   Zhu, Li ^b   Bozzelli, J W ^b  

^a Cornell University   (United States)

^b NEW JERSEY INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Flow reactor; Kinetic mechanism; Organosulfur; Probe sampling; Pyrolysis

Indexed keywords

ACTIVATION ANALYSIS; ATMOSPHERIC PRESSURE; CALCULATIONS; CARBON DISULFIDE; CARBON MONOXIDE; CHEMICAL ACTIVATION; CHEMICAL WARFARE; COMBUSTION; COMPUTATION THEORY; CRACKING (CHEMICAL); DENSITY FUNCTIONAL THEORY; DISSOCIATION; ETHYLENE; KINETIC PARAMETERS; PROBES; PYROLYSIS; REACTION KINETICS; SENSITIVITY ANALYSIS;

CHEMICAL WARFARE AGENTS; FLOW REACTORS; GAS COMPOSITION ANALYSIS; KINETIC MECHANISM; ORGANOSULFUR; PROBE SAMPLING; THERMOCHEMICAL PROPERTIES; UNIMOLECULAR DISSOCIATION;

ATMOSPHERIC TEMPERATURE;

EID: 61849164434     PISSN: 15407489     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.proci.2008.06.176     Document Type: Article

References (32)

1. Y.C. Yang, Chem. Ind. 1 (1995) 334-337.
2. L.R. Ember, Chem. Eng. News 68 (33) (1990) 9-19.
3. Y.C. Yang, F.J. Berg, L. L. Szafraniec, W.T. Beau-dry, C.A. Bunton, A. Kumar, J. Chem. Soc. Perkin Trans. 2 (1997) 607-613.
4. Y.C. Yang, J.A. Baker, J. Richard Ward, Chem. Rev. 92 (1992) 1729-1743.
5. A.V. Vorontsov, L. Davydov, E.P, Reddy, C. Lion, E.N. Savinov, P.G. Smirniotis, New J. Chem. 26 (2002) 732-744.
6. R. Stephen Davidson, J.E. Pratt, Tetrahedron Lett. 52 (1983) 5903-5906.
7. M.A.Y.S. Kim, A.A. Abdel-Wahab, M. Dulay, Catal. Lett. 5 (1990) 369-376.
8. D.V. Kozlov, A.V. Vorontsov, P.G. Smirniotis, E.N. Savinov, Appl. Catal. B: Environ. 42 (2003) 77-87.
9. A.V. Vorontsov, C. Lion, E.N. Savinov, P.G. Smirniotis, J. Catal. 220 (2003) 414-423.
10. L. Hindyarti, P. Glarborg, P. Marshall, J. Phys. Chem. A 119 (2007) 3984-3991.
11. K. Sendt, B. Haynes, Proc. Combust. Inst. 31 (2007) 257-265.
12. L.G.S. Shum, S.W. Benson, Int. J. Chem. Kinet. 17 (1985) 749-776.
13. A.H. Sehon, B. Darwent, J. Am. Chem. Soc. 76 (1954) 4806-4810.
14. E.H. Braye, A.H. Sehon, B. Darwent, J. Am. Chem. Soc. 77 (1955) 5282-5285.
15. C.J. Thompson, R.A. Meyer, J.S. Ball, J. Am. Chem. Soc. 74 (1952) 3284-3287.
16. F.C. Thyrion, G. Debecker, Int. J. Chem. Kinet. 5 (1973) 583-592.
17. E.J. Zegers, Flow Reactor Pyrolysis of Alkyl Phosphates and Phosphonates, Ph.D thesis, Cornell University, Ithaca, NY, USA, 1997.
18. NIST/EPA/NIH Mass spectral library, version 2.0 d, 2005, available at http://webbook.nist.gov.
19. Thermo Electron, 2004, Nicolet User Guide, available at www.thermo.com.
20. W.J. Hehre, R. Ditchfield, L. Radom, J.A. Pople, J. Am. Chem. Soc. 92 (16) (1970) 4796-4801.
21. L. Zhu, J.W. Bozzelli, J. Phys. Chem. A 110 (21) (2006) 6923-6937.
22. L. Zhu, J.W. Bozzelli, in: The 5th U.S. National Combustion Meeting, Combustion Institute, San Diego, CA, 2007.
23. L. Zhu, J.W. Bozzelli, J. Mol. Struct. Theochem. 728 (2005) 147-157.
24. R. Asatryan, J.W. Bozzelli, Phys. Chem. Chem, Phys. 10 (2008) 1769-1780.
25. A.M. Dean, J.W. Bozzelli, in: W.C. Gardiner (Ed.), Gas-Phase Combustion Chemistry, Springer, New York, 2000, p. 125.
26. D.L. Allara, R. Shaw, J. Phys. Chem. Ref. Data 9 (1980) 523-559.
27. LB. Harding, Y. Georgievskii, S.J. Klippenstein, J. Phys. Chem. A 109 (2005) 4646-4656.
28. L.B. Harding, Y. Georgievskii, S.J. Klippenstein, Proc. Combust. Inst. 31 (2007) 221-229.
29. A.M. Dean, J. Phys. Chem. 89 (1980) 4600-4608.
30. R.J. Kee, J.A. Miller, T.H. Jefferson, CHEMKIN: A General-Purpose, Problem-Independent, Transportable, Fortran Chemical Kinetics Package, Technical Report SAND80-8003, Sandia National Laboratories, 1980.
31. Reaction Design, 2004, Chemkin User Interface 4.0, available at http://www.reactiondesign.com.
32. W.S. Chin, B.W. Ek, C.Y. Mok, H.H. Huang, J. Chem. Soc. Perkin Trans. 2 (1994) 883-889.