Experimental and kinetic modeling study of the low- and intermediate-temperature oxidation of dimethyl ether

Combustion and Flame

Volumn 162, Issue 4, 2015, Pages 1113-1125

  Wang, Zhandong ^a,b   Zhang, Xiaoyuan ^b   Xing, Lili ^b   Zhang, Lidong ^b   Herrmann, Friederike ^a   Moshammer, Kai ^a   Qi, Fei ^b   Kohse Höinghaus, Katharina ^a  

^a BIELEFELD UNIVERSITY   (Germany)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Chain branching; Dimethyl ether; Kinetic modeling; Low temperature oxidation; Molecular beam mass spectrometry

Indexed keywords

ATMOSPHERIC CHEMISTRY; ATMOSPHERIC MOVEMENTS; ATMOSPHERIC PRESSURE; ETHERS; FORECASTING; FUELS; IGNITION; KINETIC THEORY; KINETICS; LAMINAR FLOW; MASS SPECTROMETRY; MOLECULAR BEAMS; OXIDATION; REACTION INTERMEDIATES; SHOCK TUBES; TEMPERATURE;

CHAIN BRANCHING; DIMETHYL ETHERS; KINETIC MODELING; LOW-TEMPERATURE OXIDATION; MOLECULAR BEAM MASS SPECTROMETRIES;

ATMOSPHERIC TEMPERATURE;

DIMETHYL ETHER;

ADDITION REACTION; ARTICLE; ATMOSPHERIC PRESSURE; CHEMICAL REACTION; DECOMPOSITION; ELECTRON BEAM; ENERGY TRANSFER; IONIZATION; IONIZATION CHAMBER; LAMINAR FLOW; LOW TEMPERATURE; LOW TEMPERATURE OXIDATION; OXIDATION; OXIDATION KINETICS; PRIORITY JOURNAL; REACTION ANALYSIS; STOICHIOMETRY; TEMPERATURE DEPENDENCE; TIME OF FLIGHT MASS SPECTROMETRY;

EID: 84924133278     PISSN: 00102180     EISSN: 15562921     Source Type: Journal    
DOI: 10.1016/j.combustflame.2014.10.003     Document Type: Article

References (73)

1. Kohse-Höinghaus K., Oßwald P., Cool T.A., Kasper T., Hansen N., Qi F., Westbrook C.K., Westmoreland P.R. Angew. Chem. Int. Ed. 2010, 49:3572-3597.
2. Semelsberger T.A., Borup R.L., Greene H.L. J. Power Sources 2006, 156:497-511.
3. Arcoumanis C., Bae C., Crookes R., Kinoshita E. Fuel 2008, 87:1014-1030.
4. Zhang J., Qiao X., Wang Z., Guan B., Huang Z. Energy Fuels 2008, 23:170-174.
5. Fischer S.L., Dryer F.L., Curran H.J. Int. J. Chem. Kinet. 2000, 32:713-740.
6. Hidaka Y., Sato K., Yamane M. Combust. Flame 2000, 123:1-22.
7. Zhao Z., Chaos M., Kazakov A., Dryer F.L. Int. J. Chem. Kinet. 2008, 40:1-18.
8. Cook R.D., Davidson D.F., Hanson R.K. J. Phys. Chem. A 2009, 113:9974-9980.
9. Sivaramakrishnan R., Michael J.V., Wagner A.F., Dawes R., Jasper A.W., Harding L.B., Georgievskii Y., Klippenstein S.J. Combust. Flame 2011, 158:618-632.
10. Pyun S.H., Ren W., Lam K.-Y., Davidson D.F., Hanson R.K. Combust. Flame 2013, 160:747-754.
11. Tranter R.S., Lynch P.T., Yang X. Proc. Combust. Inst. 2013, 34:591-598.
12. Dagaut P., Boettner J.-C., Cathonnet M. Proc. Combust. Inst. 1996, 26:627-632.
13. Pfahl U., Fieweger K., Adomeit G. Proc. Combust. Inst. 1996, 26:781-789.
14. Dagaut P., Daly C., Simmie J.M., Cathonnet M. Proc. Combust. Inst. 1998, 27:361-369.
15. Curran H.J., Fischer S.L., Dryer F.L. Int. J. Chem. Kinet. 2000, 32:741-759.
16. Liu I., Cant N.W., Bromly J.H., Barnes F.J., Nelson P.F., Haynes B.S. Chemosphere 2001, 42:583-589.
17. Suzaki K., Kanno N., Tonokura K., Koshi M., Tsuchiya K., Tezaki A. Chem. Phys. Lett. 2006, 425:179-184.
18. Suzaki K., Tsuchiya K., Koshi M., Tezaki A. J. Phys. Chem. A 2007, 111:3776-3788.
19. Rosado-Reyes C.M., Francisco J.S., Szente J.J., Maricq M.M., Frøsig Østergaard L. J. Phys. Chem. A 2005, 109:10940-10953.
20. Yamada H., Suzaki K., Sakanashi H., Choi N., Tezaki A. Combust. Flame 2005, 140:24-33.
21. Guo H., Sun W., Haas F.M., Farouk T., Dryer F.L., Ju Y. Proc. Combust. Inst. 2013, 34:573-581.
22. Herrmann F., Oßwald P., Kohse-Höinghaus K. Proc. Combust. Inst. 2013, 34:771-778.
23. Herrmann F., Jochim B., Oßwald P., Cai L., Pitsch H., Kohse-Höinghaus K. Combust. Flame 2014, 161:384-397.
24. N. Kurimoto, B. Brumfield, X. Yang, T. Wada, P. Diévart, G. Wysocki, Y. Ju, Proc. Combust. Inst. 35, 2014 (in press), . doi:10.1016/j.proci.2014.05.120.
25. Kaiser E.W., Wallington T.J., Hurley M.D., Platz J., Curran H.J., Pitz W.J., Westbrook C.K. J. Phys. Chem. A 2000, 104:8194-8206.
26. Daly C.A., Simmie J.M., Würmel J., DjebaÏli N., Paillard C. Combust. Flame 2001, 125:1329-1340.
27. Zhao Z., Kazakov A., Dryer F.L. Combust. Flame 2004, 139:52-60.
28. Qin X., Ju Y. Proc. Combust. Inst. 2005, 30:233-240.
29. Cool T.A., Wang J., Hansen N., Westmoreland P.R., Dryer F.L., Zhao Z., Kazakov A., Kasper T., Kohse-Höinghaus K. Proc. Combust. Inst. 2007, 31:285-293.
30. Wang J., Chaos M., Yang B., Cool T.A., Dryer F.L., Kasper T., Hansen N., Kohse-Höinghaus K., Westmoreland P.R. Phys. Chem. Chem. Phys. 2009, 11:1328-1339.
31. Wang Y.L., Holley A.T., Ji C., Egolfopoulos F.N., Tsotsis T.T., Curran H.J. Proc. Combust. Inst. 2009, 32:1035-1042.
32. Chen Z., Wei L., Gu X., Huang Z., Yuan T., Li Y., Tian Z. Energy Fuels 2010, 24:1628-1635.
33. Xu H., Yao C., Yuan T., Zhang K., Guo H. Combust. Flame 2011, 158:1673-1681.
34. Chen Z., Tang C., Fu J., Jiang X., Li Q., Wei L., Huang Z. Fuel 2012, 102:567-573.
35. Liu D., Santner J., Togbé C., Felsmann D., Koppmann J., Lackner A., Yang X., Shen X., Ju Y., Kohse-Höinghaus K. Combust. Flame 2013, 160:2654-2668.
36. Zhang K., Moshammer K., Oßwald P., Kohse-Höinghaus K. Proc. Combust. Inst. 2013, 34:763-770.
37. Andersen A., Carter E.A. J. Phys. Chem. A 2003, 107:9463-9478.
38. Andersen A., Carter E.A. Mol. Phys. 2008, 106:367-396.
39. Yamada T., Bozzelli J.W., Lay T.H. Int. J. Chem. Kinet. 2000, 32:435-452.
40. Metcalfe W.K., Burke S.M., Ahmed S.S., Curran H.J. Int. J. Chem. Kinet. 2013, 45:638-675.
41. Carr S.A., Still T.J., Blitz M.A., Eskola A.J., Pilling M.J., Seakins P.W., Shannon R.J., Wang B., Robertson S.H. J. Phys. Chem. A 2013, 117:11142-11154.
42. Wang Z.D., Cheng Z.J., Yuan W.H., Cai J.H., Zhang L.D., Zhang F., Qi F., Wang J. Combust. Flame 2012, 159:2243-2253.
43. Wang Z.D., Ye L.L., Yuan W.H., Zhang L.D., Wang Y.Z., Cheng Z.J., Zhang F., Qi F. Combust. Flame 2014, 161:84-100.
44. Herbinet O., Battin-Leclerc F., Bax S., Le Gall H., Glaude P.-A., Fournet R., Zhou Z., Deng L., Guo H., Xie M., Qi F. Phys. Chem. Chem. Phys. 2011, 13:296-308.
45. Alzueta M.U., Muro J., Bilbao R., Glarborg P. Isr. J. Chem. 1999, 39:73-86.
46. Glarborg P., Dam-Johansen K., Miller J.A., Kee R.J., Coltrin M.E. Int. J. Chem. Kinet. 1994, 26:421-436.
47. Kasper T., Oßwald P., Struckmeier U., Kohse-Höinghaus K., Taatjes C.A., Wang J., Cool T.A., Law M.E., Morel A., Westmoreland P.R. Combust. Flame 2009, 156:1181-1201.
48. Oßwald P., Güldenberg H., Kohse-Höinghaus K., Yang B., Yuan T., Qi F. Combust. Flame 2011, 158:2-15.
49. Oßwald P., Kohse-Höinghaus K., Struckmeier U., Zeuch T., Seidel L., Leon L., Mauss F. Z. Phys. Chem. 2011, 225:1029-1054.
50. Biordi J.C. Prog. Energy Combust. Sci. 1977, 3:151-173.
51. Harding L.B., Klippenstein S.J., Jasper A.W. Phys. Chem. Chem. Phys. 2007, 9:4055-4070.
52. Jasper A.W., Klippenstein S.J., Harding L.B., Ruscic B. J. Phys. Chem. A 2007, 111:3932-3950.
53. Martin J.M.L., Uzan O. Chem. Phys. Lett. 1998, 282:16-24.
54. M.J. Frisch, et al., Gaussian 09, Revision B.01, Gaussian Inc., Wallingford, CT, 2009.
55. Goldsmith C.F., Magoon G.R., Green W.H. J. Phys. Chem. A 2012, 116:9033-9057.
56. Wentorf R.H., Buehler R.J., Hirschfelder J.O., Curtiss C.F. J. Chem. Phys. 1950, 18:1484-1500.
57. Welty J.R., Wicks C.E., Wilson R.E., Rorrer G.L. Fundamentals of Momentum Heat and Mass Transfer 2001, John Wiley & Sons Ltd., New York.
58. Constantinou L., Gani R. AIChE J. 1994, 40:1697-1710.
59. Li J., Kazakov A., Dryer F.L. J. Phys. Chem. A 2004, 108:7671-7680.
60. S.H. Robertson, D.R. Glowacki, C.-H. Liang, C. Morley, R. Shannon, M. Blitz, P.W. Seakins, M.J. Pilling, MESMER (Master Equation Solver for Multi-Energy Well Reactions), 2008-2013; An Object Oriented C++ Program Implementing Master Equation Methods for Gas Phase Reactions with Arbitrary Multiple Wells, http://sourceforge.net/projects/mesmer.
61. Glowacki D.R., Liang C.-H., Morley C., Pilling M.J., Robertson S.H. J. Phys. Chem. A 2012, 116:9545-9560.
62. Maricq M.M., Szente J.J., Hybl J.D. J. Phys. Chem. A 1997, 101:5155-5167.
63. Jenkin M.E., Hayman G.D., Wallington T.J., Hurley M.D., Ball J.C., Nielsen O.J., Ellermann T. J. Phys. Chem. 1993, 97:11712-11723.
64. CHEMKIN-PRO 15092, Reaction Design: San Diego, 2009.
65. Xu S., Zhu R.S., Lin M.C. Int. J. Chem. Kinet. 2006, 38:322-326.
66. Atkinson R., Baulch D.L., Cox R.A., Hampson R.F., Kerr J.A., Rossi M.J., Troe J. J. Phys. Chem. Ref. Data 1997, 26:521-1011.
67. Tranter R.S., Walker R.W. Phys. Chem. Chem. Phys. 2001, 3:4722-4732.
68. Bonard A., Daële V., Delfau J.-L., Vovelle C. J. Phys. Chem. A 2002, 106:4384-4389.
69. Wu J.-Y., Liu J.-Y., Li Z.-S., Sun C.-C. J. Chem. Phys. 2003, 118:10986-10995.
70. Cohen N. Int. J. Chem. Kinet. 1991, 23:397-417.
71. Takahashi K., Yamamoto O., Inomata T., Kogoma M. Int. J. Chem. Kinet. 2007, 39:97-108.
72. Hoyermann K., Nacke F. Proc. Combust. Inst. 1996, 26:505-512.
73. Sehested J., Sehested K., Platz J., Egsgaard H., Nielsen O.J. Int. J. Chem. Kinet. 1997, 29:627-636.