Propagation and extinction of benzene and alkylated benzene flames

Combustion and Flame

Volumn 159, Issue 3, 2012, Pages 1070-1081

  Ji, Chunsheng ^a   Dames, Enoch ^a   Wang, Hai ^a   Egolfopoulos, Fokion N ^a  

^a University of Southern California ^*  (United States)

Author keywords

Alkylated benzenes; Aromatics; Benzene; Flame extinction; Flame propagation

Indexed keywords

1 ,3 ,5-TRIMETHYLBENZENE; AROMATICS; COUNTERFLOW; ELEVATED TEMPERATURE; EXPERIMENTAL DATA; EXTINCTION STRAIN RATE; FLAME EXTINCTION; FLAME PROPAGATION; FLAME PROPAGATION SPEED; HIGHLY SENSITIVE; KINETIC MODELS; LAMINAR FLAME SPEED; N-PROPYLBENZENE; NON-PREMIXED FLAME; OXIDATION PROCESS; P-XYLENE; PYROLYSIS KINETICS;

ALKYLATION; AROMATIZATION; ATMOSPHERIC PRESSURE; FLAMMABILITY; FREE RADICAL REACTIONS; FUELS; KINETICS; PYROLYSIS; REACTION INTERMEDIATES; REACTION KINETICS; STRAIN RATE; TOLUENE; XYLENE;

BENZENE;

ALKYLBENZENE; BENZENE; FUEL;

ARTICLE; ATMOSPHERIC PRESSURE; CHEMICAL REACTION KINETICS; CHEMISTRY; COMBUSTION; CONTROLLED STUDY; FIRE; HIGH TEMPERATURE; KINETICS; METHYLATION; OXIDATION; PREDICTION; PRIORITY JOURNAL; VELOCITY;

EID: 84856228250     PISSN: 00102180     EISSN: 15562921     Source Type: Journal    
DOI: 10.1016/j.combustflame.2011.10.017     Document Type: Article

References (104)

1. Roubaud A., Minetti R., Sochet L.R. Combust. Flame 2000, 121:535-541.
2. N. Grumman, Northrop Grumman Petroleum Product Survey Reports, Updated Annually, http://pps.ms.northropgrumman.com/.
3. Edwards T., Maurice L.Q. J. Propul. Power 2001, 17:461-466.
4. Violi A.S., Yan S., Eddings E.G., Sarofim A.F., Granata S., Faravelli T., Ranzi E. Combust. Sci. Technol. 2002, 174:399-417.
5. Eddings E.G., Yan S., Ciro W., Sarofim A.F. Combust. Sci. Technol. 2005, 117:715-739.
6. Cooke J.A., Bellucci M., Smooke M.D., Gomez A., Violi A., Favarelli T., Ranzi E. Proc. Combust. Inst. 2005, 30:439-446.
7. W.J. Pitz, N.P. Cernansky, F.L. Dryer, F.N. Egolfopoulos, J.T. Farrell, D.G. Friend, H. Pitsch, SAE Paper 2007-01-0175, 2007.
8. J.T. Farrell, N.P. Cernansky, F.L. Dryer, D.G. Friend, C.A. Hergart, C.K. Law, R. McDavid, C.J. Mueller, H. Pitsch, SAE Paper 2007-01-0201, 2007.
9. M. Colket, J.T. Edwards, S. Williams, N.P. Cernansky, D.L. Miller, F.N. Egolfopoulos, P. Lindstedt, K. Seshadri, F.L. Dryer, C.K. Law, D.G. Friend, D.B. Lenhert, H. Pitsch, A. Sarofim, M. Smooke, W. Tsang, AIAA Paper AIAA-2007-0770, 2007.
10. Humer S., Frassoldati A., Granata S., Faravelli T., Ranzi E., Seiser R., Seshadri K. Proc. Combust. Inst. 2007, 31:393-400.
11. Honnet S., Seshadri K., Niemann U., Peters N. Proc. Combust. Inst. 2009, 32:485-492.
12. Haynes B.S., Wagner H.Gg. Prog. Energy Combust. Sci. 1981, 7:229-273.
13. Frenklach M., Wang H. Proc. Combust. Inst. 1990, 23:1559-1566.
14. Wang H., Frenklach M. Combust. Flame 1997, 110:172-221.
15. Wang H. Proc. Combust. Inst. 2011, 33:41-67.
16. Brezinsky K. Prog. Energy Combust. Sci. 1986, 12:1-24.
17. Emdee J.L., Brezinsky K., Glassman I. J. Phys. Chem. 1992, 96:2151-2161.
18. Sivaramakrishnan R., Tranter R.S., Brezinsky K. Combust. Flame 2004, 139:340-350.
19. Sivaramakrishnan R., Tranter R.S., Brezinsky K. Proc. Combust. Inst. 2005, 30:1165-1173.
20. Vasudevan V., Davidson D.F., Hanson R.K. Proc. Combust. Inst. 2005, 30:1155-1163.
21. Oehlschlaeger M.A., Davidson D.F., Hanson R.K. Proc. Combust. Inst. 2007, 31:211-219.
22. Shen H.S., Vanderover J., Oehlschlaeger M.A. Proc. Combust. Inst. 2009, 32:165-172.
23. Oehlschlaeger M.A., Davidson D.F., Hanson R.K. Combust. Flame 2006, 147:195-208.
24. Agafonov G.L., Smirnov V.N., Vlasov P.A. Proc. Combust. Inst. 2011, 33:625-632.
25. Mittal G., Sung C.-J. Combust. Flame 2007, 150:355-368.
26. Dupont L., Bakali A.E., Pauwels J., Da Costa I., Meunier P., Richter H. Combust. Flame 2003, 135:171-183.
27. Detilleux V., Vandooren J. Proc. Combust. Inst. 2011, 33:217-224.
28. Li Y., Cai J., Zhang L., Yuan T., Zhang K., Qi F. Proc. Combust. Inst. 2011, 33:593-600.
29. Klotz S.D., Brezinsky K., Glassman I. Proc. Combust. Inst. 1998, 27:337-344.
30. Bermudez G., Prefferle L. Combust. Flame 1995, 100:41-61.
31. Dagaut P., Cathonnet M. Combust. Flame 1998, 113:620-623.
32. Da Costa I., Fournet R., Billaud F., Battin-Leclerc F. Int. J. Chem. Kinet. 2003, 35:503-524.
33. Ristori A., Dagaut P., El Bakali A., Pengloan G., Cathonnet M. Combust. Sci. Technol. 2001, 167:223-256.
34. Dagaut P., Pengloan G., Ristori A. Phys. Chem. Chem. Phys. 2002, 4:1846-1854.
35. Bounaceur R., Da costa I., Fournet R., Billaud F., Battin-Leclerc F. Int. J. Chem. Kinet. 2005, 37:25-49.
36. Davis S.G., Wang H., Brezinsky K., Law C.K. Proc. Combust. Inst. 1996, 26:1025-1033.
37. Won S.H., Dooley S., Dryer F.L., Ju Y. Proc. Combust. Inst. 2011, 33:1163-1170.
38. Davis S.G., Law C.K. Combust. Sci. Technol. 1998, 140(1-6):427-449.
39. J.T. Farrell, R.J. Johnston, I.P. Androulakis, SAE Paper 2004-01-2936, 2004.
40. Johnston R.J., Farrell J.T. Proc. Combust. Inst. 2005, 30:217-224.
41. Wang C., Ueng G., Tsay M. Combust. Flame 1998, 113:242-248.
42. Hirasawa T., Sung C.J., Joshi A., Yang Z., Wang H., Law C.K. Proc. Combust. Inst. 2002, 29:1427-1434.
43. Ji C., Egolfopoulos F.N. Proc. Combust. Inst. 2011, 33:955-961.
44. Lindstedt R.P., Skevis G. Combust. Flame 1994, 99:551-561.
45. Zhang H.Y., McKinnon J.T. Combust. Sci. Technol. 1995, 107:261-300.
46. Shandross R.A., Longwell J.P., Howard J.B. Proc. Combust. Inst. 1996, 26:711-719.
47. Richter H., Grieco W.J., Howard J.B. Combust. Flame 1999, 119:1-22.
48. Richter H., Howard J.B. Phys. Chem. Chem. Phys. 2002, 4:2038-2055.
49. Sakai Y., Miyoshi A., Koshi M., Pitz W.J. Proc. Combust. Inst. 2009, 32:411-418.
50. Lindstedt R.P., Maurice L.Q. Combust. Sci. Technol. 1996, 120(1-6):119-167.
51. Tian Z., Pitz W.J., Fournet R., Glaude P., Battin-Leclerc F. Proc. Combust. Inst. 2011, 33:233-241.
52. Blanksby S.J., Ellison G.B. Acc. Chem. Res. 2003, 36:255-263.
53. You X., Egolfopoulos F.N., Wang H. Proc. Combust. Inst. 2009, 31:403-410.
54. Ji C., Dames E., Wang Y.L., Wang H., Egolfopoulos F.N. Combust. Flame 2010, 157:277-287.
55. Simmie J.M. Prog. Energy Combust. Sci. 2003, 29:599-634.
56. Emdee J.L., Brezinsky K., Glassman I. Proc. Combust. Inst. 1990, 23:77-84.
57. Emdee J.L., Brezinsky K., Glassman I. J. Phys. Chem. 1991, 95:1626-1635.
58. Roubaud A., Lemaire O., Minetti R., Sochet L.R. Combust. Flame 2000, 123:561-571.
59. Gail S., Dagaut P. Combust. Flame 2005, 141:281-297.
60. Gail S., Dagaut P. Combust. Sci. Technol. 2007, 179:813-844.
61. Gail S., Dagaut P., Black G., Simmie J.M. Combust. Sci. Technol. 2008, 180(10):1748-1771.
62. Battin-Leclerc F., Bounaceur R., Belmekki N., Glaude P.A. Int. J. Chem. Kinet. 2006, 38:284-302.
63. Shen H.-P.S., Oehlschlaeger M. Combust. Flame 2009, 156:1053-1062.
64. da Silva G., Bozzelli J.W. Combust. Flame 2010, 157:2175-2183.
65. Litzinger T.A., Brezinsky K., Glassman I. Combust. Flame 1986, 63:251-267.
66. Dagaut P., Ristori A., El Bakali A., Cathonnet M. Fuel 2002, 81:173-184.
67. Wu C.K., Law C.K. Proc. Combust. Inst. 1984, 20:1941-1949.
68. Law C.K., Zhu D.L., Yu G. Proc. Combust. Inst. 1986, 21:1419-1426.
69. Zhu D.L., Egolfopoulos F.N., Law C.K. Proc. Combust. Inst. 1988, 22:1537-1545.
70. Holley A.T., Dong Y., Andac M.G., Egolfopoulos F.N. Combust. Flame 2006, 144(3):448-460.
71. Holley A.T., Dong Y., Andac M.G., Egolfopoulos F.N., Edwards T. Proc. Combust. Inst. 2007, 31:1205-1213.
72. Wang Y.L., Holley A.T., Ji C., Egolfopoulos F.N., Tsotsis T.T., Curran H.J. Proc. Combust. Inst. 2009, 32:1035-1042.
73. Veloo P.S., Wang Y.L., Egolfopoulos F.N., Westbrook C.K. Combust. Flame 2010, 157(10):1989-2004.
74. R.J. Kee, J.F. Grcar, M.D. Smooke, J.A. Miller, A FORTRAN Program for Modeling Steady Laminar One-Dimensional Premixed Flames, Sandia Report SAND85-8240, Sandia National Laboratories, 1985.
75. Grcar J.F., Kee R.J., Smooke M.D., Miller J.A. Proc. Combust. Inst. 1986, 21:1773-1782.
76. Egolfopoulos F.N. Proc. Combust. Inst. 1994, 25:1375-1381.
77. Kee R.J., Miller J.A., Evans G.H., Dixon-Lewis G. Proc. Combust. Inst. 1988, 22:1479-1494.
78. R.J. Kee, F.M. Rupley, J.A. Miller, Chemkin-II: A Fortran Chemical Kinetics Package for the Analysis of Gas-Phase Chemical Kinetics, Sandia Report SAND89-8009, Sandia National Laboratories, 1989.
79. R.J. Kee, J. Warnatz, J.A. Miller, A FORTRAN Computer Code Package for the Evaluation of Gas-Phase Viscosities, Conductivities, and Diffusion Coefficients, Sandia Report SAND83-8209, Sandia National Laboratories, 1983.
80. Dong Y., Holley A.T., Andac M.G., Egolfopoulos F.N., Davis S.G., Middha P., Wang H. Combust. Flame 2005, 142:374-387.
81. Middha P., Wang H. Combust. Theor. Model. 2005, 9:353-363.
82. Egolfopoulos F.N., Dimotakis P.E. Proc. Combust. Inst. 1998, 27:641-648.
83. Nishioka M., Law C.K., Takeno T. Combust. Flame 1996, 104:328-342.
84. Ji C., Wang Y.L., Egolfopoulos F.N. J. Propul. Power 2010, 27(4):856-863.
85. H. Wang, X. You, A.V. Joshi, S.G. Davis, A. Laskin, F.N. Egolfopoulos, C.K. Law, USC Mech Version II. High-Temperature Combustion Reaction Model of H2/CO/C1-C4 Compounds. , May 2007. http://ignis.usc.edu/USC_Mech_II.htm.
86. Davis S.G., Joshi A.V., Wang H., Egolfopoulos F.N. Proc. Combust. Inst. 2005, 30:1283-1292.
87. Davis S.G., Law C.K., Wang H. Combust. Flame 1999, 119:375-399.
88. Davis S.G., Law C.K., Wang H. J. Phys. Chem. A 1999, 103:5889-5899.
89. Laskin A., Wang H. Chem. Phys. Lett. 1999, 303:43-49.
90. Laskin A., Wang H., Law C.K. Int. J. Chem. Kinet. 2000, 32:589-614.
91. Qin Z., Lissianski V., Yang H., Gardiner W.C., Davis S.G., Wang H. Proc. Combust. Inst. 2000, 28:1663-1669.
92. Wang H. Int. J. Chem. Kinet. 2001, 33:698-706.
93. Law C.K., Sung C.J., Wang H., Lu T.F. AIAA J. 2003, 41:1629-1646.
94. Joshi A.V., Wang H. Int. J. Chem. Kinet. 2006, 38:57-73.
95. Sivaramakrishnan R., Comandini A., Tranter R.S., Brezinsky K., Davis S.G., Wang H. Proc. Combust. Inst. 2007, 31:429-437.
96. You X.Q., Wang H., Goos E., Sung C.J., Klippenstein S.J. J. Phys. Chem. A 2007, 111:4031-4042.
97. Z.M. Djurisic, A.V. Joshi, H. Wang, Proceedings of the Second Joint Meeting of the US Sections of the Combustion Institute, March 2001, Berkeley, CA, Paper 238.
98. Dooley S., Won S.H., Chaos M., Heyne J., Ju Y., Dryer F.L., Kumar K., Sung C.-J., Wang H., Oehlschlaeger M., Santoro R.J., Litzinger T.A. Combust. Flame 2010, 157:2333-2339.
99. Narayanaswamy K., Blanquart G., Pitsch H. Combust. Flame 2010, 157:1879-1898.
100. Blanquart G., Pepiot-Desjardins P., Pitsch H. Combust. Flame 2009, 156:588-607.
101. Kumar K., Sung C.J. Energy Fuel 2010, 24:3840-3849.
102. Ji C., Dames E., Sirjean B., Wang H., Egolfopoulos F.N. Proc. Combust. Inst. 2011, 33:971-978.
103. E. Dames, H. Wang, H. Theory and kinetic modeling of isomerization reactions between benzylic and methylphenyl type radicals in single ringed aromatic compounds, J. Phys. Chem. A, submitted for publication.
104. C.K. Law, Combustion Physics, first ed., Cambridge University Press, New York, USA, 2006, p. 410 (Chapter 10).