Computer based generation of reaction mechanisms for gas-phase oxidation

Computers and Chemistry

Volumn 24, Issue 5, 2000, Pages 541-560

  Warth, V ^a   Battin Leclerc, F ^a   Fournet, R ^a   Glaude, P A ^a   Come G M ^a   Scacchi, G ^a  

^a UNIVERSITÉ DE LORRAINE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMBUSTION; COMPUTER APPLICATIONS; COMPUTER SIMULATION; COMPUTER SOFTWARE; ETHERS; FREE RADICALS; GASOLINE; OXIDATION; PARAFFINS;

AUTOMATIC GENERATION; SOFTWARE PACKAGE EXGAS;

REACTION KINETICS;

EID: 0033738367     PISSN: 00978485     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(99)00092-3     Document Type: Article

References (36)

1. Barbé P., Battin-Leclerc F., Côme G.M. J. Chim. Phys. 92:1995;1666.
2. Bloch-Michel, V., 1995. Thèse de l'Institut National Polytechnique de Lorraine.
3. Blurock E.S. J. Chem. Inf. Comput. Sci. 35:1995;607.
4. Broadbelt J., Stark S.M., Klein M.T. Ind. Eng. Chem. Res. 33:1994;790.
5. Broadbelt J., Stark S.M., Klein M.T. Chem. Eng. Sci. 49:1994;4991.
6. Broadbelt J., Stark S.M., Klein M.T. Ind. Eng. Chem. Res. 34:1995;2566.
7. Broadbelt J., Stark S.M., Klein M.T. Comput. Chem. Eng. 20:1996;113.
8. Chevalier C., Warnatz J., Melenk H. Bes. Buns. Phys. Chem. 94:1990;1362.
9. Chevalier, C., Pitz, W.J., Warnatz, J., Westbrook, C.K., Melenk, H., 1992. 24th (International) Symposium on Combustion., The Combustion Institute, Pittsburg, pp. 93.
10. Chinnick, S.J., 1987. Ph.D. Thesis, University of Leeds.
11. Côme G.M., Muller C., Cunin P.Y., Griffiths M. Comp. Chem. 8:1984;233.
12. Côme, G.M., Warth, V., Glaude, P.A., Fournet, R., Battin-Leclerc, F., Scacchi, G., 1997. 26th (International) Symposium on Combustion, The Combustion Institute, Pittsburg, pp. 755.
13. Dagaut P., Reuillon M.and, Cathonnet M. Combust. Sci. Technol. 103:1994;315.
14. Di Maio F.P., Lignola P.G. Chem. Eng. Sci. 47:1992;2713.
15. Dryer F.L., Brezinsky K. Combust. Sci. Tech. 45:1986;199.
16. Emanuel N.M., Gal D. Modeling of oxidation processes. 1986;Akadémiai Kiadó Budapest.
17. Glaude P.A., Warth V., Fournet R., Battin-Leclerc F., Côme G.M., Scacchi G. Bull. Soc. Chim. Belg. 106:(6):1997;343-348.
18. Glaude P.A., Warth V., Fournet R., Battin-Leclerc F., Côme G.M., Scacchi G. Int. J. Chem. Kin. 30:1998;949.
19. Glaude, P.A., Judenherc, B., Battin-Leclerc, F., Warth, V., Fournet, R., Côme, G.M., Scacchi, G., Dagaut, P. Cathonnet, M., 1999. Combust. Flame (in press).
20. Glaude, P.A., Warth, V., Fournet, R., Battin-Leclerc, F., Côme,G.M., Scacchi, G., Dagaut, P., Cathonnet, M., 2000. Combustion (in press).
21. Haux, L., 1982. Thèse de l'Institut National Polytechnique de Lorraine.
22. Kee, R.J., Rupley, F.M., Miller, J.A., 1993. Sandia Laboratories Report, SAND 89-8009B.
23. Morgan H.L. J. Chem. Doc. 5:1965;107-113.
24. Muller, C., 1987. Thèse de l'Institut National Polytechnique de Lorraine.
25. Muller C., Michel V., Scacchi G., Côme G.M. J. Chim. Phys. 92:1995;1154.
26. Nemes I., Vidoczy T., Botar L., Gal D. Theoret. Chim. Acta. 45:1977;215243.
27. Ranzi E., Sogaro A., Gaffuri P., Pennati G., Westbrook C.K., Pitz W.J. Combust. Flame. 99:1994;201.
28. Ranzi E., Faravelli T., Gaffuri P., Sogaro A. Combust. Flame. 102:1995;179.
29. Ranzi E., Gaffuri P., Faravelli T., Dagaut P. Combust. Flame. 103:1995;61.
30. Ranzi E., Faravelli T., Gaffuri P., Sogaro A., D'Anna A., Ciajolo A. Combust. Flame. 108:1997;24.
31. Susnow R.G., Dean A.M., Green W.H., Peczak P., Broadbelt L.J. J. Phys. Chem. A. 101:1997;3731-3740.
32. Tomlin A.S., Turanyi T., Pilling M.J. Comprehensive Chemical Kinetics. Pilling M.J. Low temperature combustion and auto-ignition. 35:1997;293 Elsevier, Amsterdam.
33. Vidoczy T., Hajdu I.P., Nemes I., Gal D. Ox. Comm. 4:1983;203.
34. Warth V., Stef N., Glaude P.A., Battin-Leclerc F., Scacchi G., Côme G.M. Combust. Flame. 114:1998;81-102.
35. Wipke, W.T., Dyott, T., 1974. J. Am. Chem. Soc. 4834-4842.
36. Yoneda Y. Bull. Chem. Soc. Jpn. 52:1979;8.