Experimental and numerical low-temperature oxidation study of ethanol and dimethyl ether

Combustion and Flame

Volumn 161, Issue 2, 2014, Pages 384-397

  Herrmann, Friederike ^a   Jochim, Bernhard ^b   Oßwald, Patrick ^c   Cai, Liming ^b   Pitsch, Heinz ^b   Kohse Höinghaus, Katharina ^a  

^a BIELEFELD UNIVERSITY   (Germany)

^b RWTH AACHEN UNIVERSITY   (Germany)

^c GERMAN AEROSPACE CENTER DLR   (Germany)

Author keywords

Dimethyl ether oxidation; Ethanol oxidation; Kinetic modeling; Laminar flow reactor; Low temperature oxidation; Time of flight mass spectrometry

Indexed keywords

DIMETHYL ETHER OXIDATION; ETHANOL OXIDATION; KINETIC MODELING; LAMINAR FLOW REACTORS; LOW-TEMPERATURE OXIDATION; TIME OF FLIGHT MASS SPECTROMETRY;

ETHANOL; FUELS; INTERNAL COMBUSTION ENGINES; KINETICS; LAMINAR FLOW; MASS SPECTROMETRY; REDUCTION; TEMPERATURE;

OXIDATION;

ALCOHOL; DIMETHYL ETHER; FUEL;

ALCOHOL OXIDATION; ARTICLE; ATMOSPHERIC PRESSURE; COMBUSTION; KINETICS; LAMINAR FLOW; LOW TEMPERATURE; PRIORITY JOURNAL; REDUCTION; TIME OF FLIGHT MASS SPECTROMETRY;

EID: 84890184275     PISSN: 00102180     EISSN: 15562921     Source Type: Journal    
DOI: 10.1016/j.combustflame.2013.09.014     Document Type: Article

References (69)

1. Dubreuil A., Foucher F., Mounaïm-Rousselle C., Dayma G., Dagaut P. Proc. Combust. Inst. 2007, 31:2879-2886.
2. Anderlohr J.M., Piperel A., Pires da Cruz A., Bounaceur R., Battin-Leclerc F., Dagaut P., Montagne X. Proc. Combust. Inst. 2009, 32:2851-2859.
3. Tanaka S., Ayala F., Keck J.C., Heywood J.B. Combust. Flame 2003, 132:219-239.
4. Piperel A., Dagaut P., Montagne X. Proc. Combust. Inst. 2009, 32:2861-2868.
5. Yamada H., Suzaki K., Sakanashi H., Choi N., Tezaki A. Combust. Flame 2005, 140:24-33.
6. Cavaliere A., de Joannon M. Prog. Energy Combust. Sci. 2004, 30:329-366.
7. de Joannon M., Cavaliere A., Faravelli T., Ranzi E., Sabia P., Tregrossi A. Proc. Combust. Inst. 2005, 30:2605-2612.
8. Dally B.B., Riesmeier E., Peters N. Combust. Flame 2004, 137:418-431.
9. Jacobs T.J., Assanis D.N. Proc. Combust. Inst. 2007, 31:2913-2920.
10. Idicheria C.A., Pickett L.M. Proc. Combust. Inst. 2007, 31:2931-2938.
11. Docquier N., Candel S. Prog. Energy Combust. Sci. 2002, 28:107-150.
12. Battin-Leclerc F. Prog. Energy Combust. Sci. 2008, 34:440-498.
13. Zádor J., Taatjes C.A., Fernandes R.X. Prog. Energy Combust. Sci. 2011, 37:371-421.
14. Marinov N.M. Int. J. Chem. Kinet. 1999, 31:183-220.
15. Saxena P., Williams F.A. Proc. Combust. Inst. 2007, 31:1149-1156.
16. O. Röhl, N. Peters, in: Proc. European Combustion Meeting, Vienna, Austria, 2009.
17. Cancino L.R., Fikri M., Oliveira A.A.M., Schulz C. Energy Fuels 2010, 24:2830-2840.
18. Tran L.-S., Glaude P.-A., Fournet R., Battin-Leclerc F. Energy Fuels 2013, 27:2226-2245.
19. Frassoldati A., Faravelli T., Ranzi E., Kohse-Höinghaus K. Combust. Flame 2011, 158:1264-1276.
20. Rotzoll G. J. Anal. Appl. Pyrolysis 1985, 9:43-52.
21. Li J., Kazakov A., Dryer F.L. J. Phys. Chem. A 2004, 108:7671-7680.
22. Kasper T.S., Oßwald P., Kamphus M., Kohse-Höinghaus K. Combust. Flame 2007, 150:220-231.
23. Leplat N., Dagaut P., Togbé C., Vandooren J. Combust. Flame 2011, 158:705-725.
24. Leplat N., Seydi A., Vandooren J. Combust. Sci. Technol. 2008, 180:519-532.
25. Tran L.S., Glaude P.A., Battin-Leclerc F. Combust., Expl. Shock Waves 2013, 49:11-18.
26. Xu H., Yao C., Yuan T., Zhang K., Guo H. Combust. Flame 2011, 158:1673-1681.
27. Norton T.S., Dryer F.L. Int. J. Chem. Kinet. 1992, 24:319-344.
28. Haas F.M., Chaos M., Dryer F.L. Combust. Flame 2009, 156:2346-2350.
29. Alzueta M.U., Hernández J.M. Energy Fuels 2002, 16:166-171.
30. Dagaut P., Togbé C. Energy Fuels 2008, 22:3499-3505.
31. Curran H.J., Pitz W.J., Westbrook C.K., Dagaut P., Boettner J.-C., Cathonnet M. Int. J. Chem. Kinet. 1998, 30:229-241.
32. Curran H.J., Fischer S.L., Dryer F.L. Int. J. Chem. Kinet. 2000, 32:741-759.
33. Fischer S.L., Dryer F.L., Curran H.J. Int. J. Chem. Kinet. 2000, 32:713-740.
34. Zhao Z., Chaos M., Kazakov A., Dryer F.L. Int. J. Chem. Kinet. 2008, 40:1-18.
35. Hidaka Y., Sato K., Yamane M. Combust. Flame 2000, 123:1-22.
36. 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.
37. Pfahl U., Fieweger K., Adomeit G. Proc. Combust. Inst. 1996, 26:781-789.
38. 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.
39. Chen Z., Wei L., Gu X., Huang Z., Yuan T., Li Y., Tian Z. Energy Fuels 2010, 24:1628-1635.
40. 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.
41. Wang J., Chaos M., Yang B., Cool T.A., Dryer F.L., Kasper T., Hansen N., Oßwald P., Kohse-Höinghaus K., Westmoreland P.R. Phys. Chem. Chem. Phys. 2009, 11:1328-1339.
42. Wang J., Struckmeier U., Yang B., Cool T.A., Osswald P., Kohse-Höinghaus K., Kasper T., Hansen N., Westmoreland P.R. J. Phys. Chem. A 2008, 112:9255-9265.
43. Dagaut P., Daly C., Simmie J.M., Cathonnet M. Proc. Combust. Inst. 1998, 27:361-369.
44. Dagaut P., Boettner J.-C., Cathonnet M. Proc. Combust. Inst. 1996, 26:627-632.
45. Liu I., Cant N.W., Bromly J.H., Barnes F.J., Nelson P.F., Haynes B.S. Chemosphere 2001, 42:583-589.
46. Alzueta M.U., Muro J., Bilbao R., Glarborg P. Isr. J. Chem. 1999, 39:73-86.
47. Guo H., Sun W., Haas F.M., Farouk T., Dryer F.L., Ju Y. Proc. Combust. Inst. 2013, 34:573-581.
48. Herrmann F., Oßwald P., Kohse-Höinghaus K. Proc. Combust. Inst. 2013, 34:771-778.
49. Oßwald P., Güldenberg H., Kohse-Höinghaus K., Yang B., Yuan T., Qi F. Combust. Flame 2011, 158:2-15.
50. 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.
51. Oßwald P., Kohse-Höinghaus K., Struckmeier U., Zeuch T., Seidel L., Leon L., Mauss F. Z. Phys. Chem. 2011, 225:1029-1054.
52. H. Pitsch, FlameMaster: A C++ Computer Program for 0d Combustion and 1d Laminar Flame Calculations, 1998. <>. http://www.stanford.edu/~hpitsch.
53. Wada T., Sudholt A., Pitsch H., Peters N. Combust. Theor. Model. 2013, 10.1080/13647830.2013.813588.
54. Konnov A.A. Combust. Flame 2009, 156:2093-2105.
55. Dunphy M.P., Simmie J.M. J. Chem. Soc. Faraday Trans. 1991, 87:1691-1696.
56. J. Li, Experimental and Numerical Studies of Ethanol Chemical Kinetics, Ph.D. Thesis, Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ, USA, 2004.
57. J. Li, A. Kazakov, M. Chaos, F.L. Dryer, in: Proc. 5th National US Combustion Meeting, San Diego, California, USA, 2007.
58. Heufer K.A., Olivier H. Shock Waves 2010, 20:307-316.
59. Loucks L.F., Laidler K.J. Can. J. Chem. 1967, 45:2763-2766.
60. Schofield K. Prog. Energy Combust. Sci. 2008, 34:330-350.
61. Schofield K. Energy Fuels 2012, 26:5468-5480.
62. Tranter R.S., Lynch P.T., Annesly C.J. J. Phys. Chem. A 2012, 116:7287-7292.
63. Baulch D.L., Cobos C.J., Cox R.A., Esser C., Frank P., Just Th., Kerr J.A., Pilling M.J., Troe J., Walker R.W., Warnatz J. J. Phys. Chem. Ref. Data 1992, 21:411-734.
64. Tsang W., Hampson R.F. J. Phys. Chem. Ref. Data. 1986, 15:1087-1279.
65. Petersen E.L., Kalitan D.M., Simmons S., Bourque G., Curran H.J., Simmie J.M. Proc. Combust. Inst. 2007, 31:447-454.
66. Page M., Lin M.C., He Y., Choudhury T.K. J. Phys. Chem. 1989, 93:4404-4408.
67. C. Morley, Gaseq: Chemical Equilibria in Perfect Gases (Version 0.79), 2006. <>. http://www.gaseq.co.uk.
68. Andersen A., Carter E.A. Isr. J. Chem. 2002, 42:245-260.
69. Andersen A., Carter E.A. J. Phys. Chem. A 2003, 107:9463-9478.