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. Author manuscript; available in PMC: 2013 Jun 28.
Published in final edited form as: Combust Flame. 2011 Apr;158(4):756–773. doi: 10.1016/j.combustflame.2010.12.022

Table 4.

Flame species measured with their respective IEs, maximum mole fractions (Xmax), and positions (P, mm) in furan/oxygen/argon flames

m/e Formula Species IEs Mole Fractions

Literature a This
Work b
Φ = 1.4 Φ = 1.8 Φ = 2.2

P Xmax P Xmax P Xmax
15 CH3 methyl radical 9.84 9.79 3.5 8.9E-04 5.5 9.8E-04 8.5 8.9E-04
16 CH4 methane 12.71 12.71 3.5 2.1E-03 5.0 3.9E-03 8.0 4.3E-03
26 C2H2 acetylene 11.40 11.35 3.5 1.6E-02 5.5 2.8E-02 8.5 3.9E-02
28 C2H4 ethylene 10.52 10.49 3.5 5.8E-03 4.5 7.1E-03 7.5 7.7E-03
30 CH2O formaldehyde 10.88 10.84 3.0 3.1E-03 4.0 3.3E-03 6.5 3.4E-03
32 CH3OH methyl alcohol 10.84 10.83
39 C3H3 propargyl radical 8.67 8.67 3.5 6.1E-04 5.5 1.1E-03 8.5 1.5E-03
40 aC3H4 allene 9.83 9.83 3.5 3.6E-04 5.0 5.3E-04 8.0 8.1E-04
pC3H4 propyne 10.36 10.34 3.0 7.7E-04 5.0 2.4E-03 8.0 4.2E-03
41 C3H5 allyl radical 8.18 8.19 3.0 2.4E-04 5.0 2.6E-04 8.0 1.3E-04
42 CH2CO ketene 9.62 9.58 2.5 1.4E-03 5.0 1.8E-03 7.0 2.3E-03
44 c C2H4O ethenol 9.33 9.30 3.0 4.2E-05 4.0 4.7E-05 6.0 4.8E-05
C2H4O acetaldehyde 10.23 10.22
50 C4H2 diacetylene 10.17 10.14 4.0 1.6E-04 5.0 6.7E-04 6.0 7.3E-04
51 C4H3 CH2CCCH 8.06 8.10
52 c C4H4 1,2,3-butatriene 9.15 9.15 3.5 5.8E-04 5.5 7.4E-04 8.5 1.2E-03
C4H4 vinylacetylene 9.58 9.56
54 C4H6 1,3-butadiene 9.07 9.04 3.0 1.3E-04 4.5 1.8E-04 8.0 2.6E-04
55 C3H3O HC=CH-CHO 9.54
56 c C3H4O methylketene 8.95 8.91 2.0 1.9E-04 3.5 2.6E-03 6.0 2.9E-03
C3H4O propenal 10.11 10.09
58 C3H6O acetone 9.70 9.70
64 c C5H4 1,2,3,4-pentatetraene 8.67 8.72 2.5 1.2E-05 5.5 2.5E-05 8.0 6.9E-05
C5H4 1,3-pentadiyne 9.50 9.48
65 C5H5 cyclopentadienyl radical 8.41 8.41 2.5 1.6E-05 5.5 3.4E-05 8.5 5.8E-05
66 c C5H6 1,3-cyclopentadiene 8.57 8.54 2.5 2.3E-05 4.5 3.6E-05 8.0 4.6E-05
C4H2O ethynylketene 8.77±0.15 d 8.70
68 C4H4O furan 8.88 8.86 fuel
74 C6H2 1,3,5-hexatriyne 9.50 9.48 2.5 3.3E-05 6.5 4.0E-05 9.0 5.5E-05
76 C6H4 benzyne
3-hexene-1,5-diyne
9.07
9.03
9.06 3.0 1.6E-05 2.5 2.2E-05 8.5 3.9E-05
78 c C6H6 fulvene 8.36 8.40 3.5 6.0E-05 5.0 8.6E-05 8.0 1.5E-04
C6H6 benzene 9.26 9.23
80 C6H8 1,3-cyclohexadiene 8.25 8.23 2.5 2.0E-05 4.0 3.0E-05 4.5 4.0E-05
82 C5H6O 2-methyl-furan 8.38 8.36 2.0 1.6E-05 4.0 2.3E-05 7.0 3.8E-05
84 C5H8O 4-pentyn-2-ol 10.24 10.21
92 C7H8 toluene 8.83 8.80 3.5 1.0E-06 4.0 1.5E-06 7.0 3.4E-06
94 C6H6O phenol 8.49 8.50 3.0 4.0E-06 4.5 3.1E-05 7.5 3.9E-05
102 C8H6 phenylacetylene 8.82 8.79 8.5 2.3E-06
104 C8H8 styrene 8.46 8.47 7.0 4.9E-06
a

Note: Refers to [59];

b

errors for stable species are ±0.05eV, for radicals are ±0.10eV;

c

the values are the total mole fraction of a specific mass, for example, the mole fraction of mass 44 includes both ethenol and acetaldehyde;

d

refers to [60].