Oxidation and combustion of the n-hexene isomers: A wide range kinetic modeling study

Combustion and Flame

Volumn 155, Issue 4, 2008, Pages 756-772

  Mehl, Marco ^a   Vanhove, Guillaume ^b   Pitz, William J ^a   Ranzi, Eliseo ^c  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^b PhysicoChimie des Processus de Combustion et de l'Atmosphere   (France)

^c POLITECNICO DI MILANO   (Italy)

Author keywords

Alkenes; Autoignition; Detailed kinetic modeling; Surrogate fuels

Indexed keywords

CHEMICAL BONDS; CHEMICAL OXYGEN DEMAND; ELECTRON TRANSITIONS; FUNCTIONAL GROUPS; HYDROCARBONS; IGNEOUS ROCKS; ISOMERIZATION; OLEFINS; OXIDATION;

ALKENES; ALKENYL; AUTOIGNITION; CHEMICAL KINETIC; DETAILED KINETIC MODELING; DOUBLE BOND POSITIONS; EXPERIMENTAL DATUMS; FLUX ANALYSES; FUEL OXIDATIONS; HEXENE ISOMERS; HIGH TEMPERATURES; ISOMERIZATION REACTIONS; KINETIC MECHANISMS; KINETIC MODELING; LOW TEMPERATURE REACTIONS; OPERATING CONDITIONS; RAPID COMPRESSION MACHINES; SIMULATION RESULTS; SPECIAL EMPHASES; STIRRED REACTORS; SURROGATE FUELS;

ISOMERS;

ALKENE; ALKENYL GROUP; ALLYL COMPOUND; FUEL; HEXENE; RADICAL; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BINDING; CHEMICAL REACTION KINETICS; COMBUSTION; COMPRESSION; ISOMER; ISOMERIZATION; MODEL; OXIDATION; PRIORITY JOURNAL; REACTION ANALYSIS; REACTOR; TEMPERATURE SENSITIVITY;

EID: 56049087957     PISSN: 00102180     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.combustflame.2008.07.004     Document Type: Article

References (38)

1. W.J. Pitz, C.K. Westbrook, W.R. Leppard, SAE Paper No. 912315, 1991
2. Minetti R., Roubaud A., Therssen E., Ribaucour M., and Sochet L.R. Combust. Flame 118 (1999) 213-220
3. Prabhu S.K., Bhat R.K., Miller D.L., and Cernansky N.P. Combust. Flame 104 (1996) 377
4. W.R. Leppard, SAE Paper No. 902137, 1990
5. Mehl M., Faravelli T., Giavazzi F., Ranzi E., Scorletti P., Tardani A., and Terna D. Energy Fuels 20 6 (2006) 2391-2398
6. Dente M., Faravelli T., Pierucci S., Ranzi E., Barendregt S., and Valkenburg P. 2005 AIChE Spring National Meeting Conference Proceedings (2005), Omnipress, Madison, WI
7. Tsang W. J. Phys. Chem. A 110 27 (2006) 8501-8509
8. Vanhove G., Ribaucour M., and Minetti R. Proc. Combust. Inst. 30 (2005) 1065-1072
9. Tanaka S., Ayala F., Keck J.C., and Heywood J.B. Combust. Flame 132 1-2 (2003) 219-239
10. Yahyaoui M., Djebaïli-Chaumeix N., Paillard C.-E., Touchard S., Fournet R., Glaude P.A., and Battin-Leclerc F. Proc. Combust. Inst. 30 (2005) 1137-1145
11. Touchard S., Fournet R., Glaude P.A., Warth V., Battin-Leclerc F., Vanhove G., Ribaucour M., and Minetti R. Proc. Combust. Inst. 30 (2005) 1073-1081
12. Yahyaoui M., Djebaïli-Chaumeix N., Dagaut P., Paillard C.-E., and Gail S. Combust. Flame 147 1-2 (2006) 67-78
13. Ranzi E., Gaffuri P., Faravelli T., and Dagaut P. Combust. Flame 103 (1995) 91-106
14. Ranzi E., Faravelli T., Gaffuri P., Sogaro A., D'Anna A., and Ciajolo A. Combust. Flame 108 (1997) 24-42
15. Westbrook C.K., and Dryer F.L. Prog. Energy Combust. Sci. 10 1 (1984) 1-57
16. Glaude P.A., Battin-LeClerc F., Fournet R., Warth V., Côme G.M., and Scacchi G. Combust. Flame 122 4 (2000) 451-462
17. Ritter E.R., and Bozzelli J.W. Int. J. Chem. Kinet. 23 9 (1991) 767-778
18. Lay T.H., Bozzelli J.W., Dean A.M., and Ritter E.R. J. Phys. Chem. 99 39 (1995) 14514-14527
19. Ranzi E., Dente M., Goldaniga A., Bozzano G., and Faravelli T. Prog. Energy Combust. Sci. 27 1 (2001) 99-139
20. King K.D. Int. J. Chem. Kinet. 11 (1979) 1071
21. Tsang W. Int. J. Chem. Kinet. 10 (1978) 821
22. Dean A.M. J. Phys. Chem. 89 (1985) 4600
23. Richard C., Scacchi G., and Back M.H. Int. J. Chem. Kinet. 10 (1978) 307-324
24. Tsang W. Ind. Eng. Chem. 31 1 (1992) 3-8
25. Baldwin R.R., Hisham M.W.M., and Walker R.W. Proc. Combust. Inst. 20 (1985) 743
26. Lesclaux R., Roussel P., Veyret B., and Pouchan C. J. Am. Chem. Soc. 108 (1986) 3872
27. Baldwin R.R., Keen A., and Walker R.W. J. Chem. Soc. Faraday Trans. 2 (1987) 83
28. Barbe P., Martin R., Perrin D., and Scacchi G. Int. J. Chem. Kinet. 28 (1996) 829
29. Walker R.W. Proc. Combust. Inst. 22 (1988) 883-892
30. Stark M.S. J. Am. Chem. Soc. 122 (2000) 4162-4170
31. Chen C.J., and Bozzelli J.W. J. Phys. Chem. A 104 (2000) 4997-5012
32. Ranzi E., Dente M., Faravelli T., and Pennati G. Combust. Sci. Technol. 95 1-6 (1994) 1-50
33. Perrin D., Richard C., and Martin R. Int. J. Chem. Kinet. 20 (1988)
34. Lee J., and Bozzelli J.W. Proc. Combust. Inst. 30 (2005) 1015-1022
35. Rienstra-Kiracofe J.C., Allen W.D., and Schaefer H.F. J. Phys. Chem. A 104 44 (2000) 9823-9840
36. Miller J.A., and Klippenstein S.J. Int. J. Chem. Kinet. 33 (2001) 654
37. Sun H.Y., Bozzelli J.W., and Law C.K. J. Phys. Chem. A 111 23 (2007) 4974-4986
38. Pierucci S., and Ranzi E. Comput. Chem. Eng. 32 4-5 (2008) 805-826