Table 2.
Intermediate species identification with EI-MBMS in methylfuran experiments. M: nominal mass, E: electron energy, IP: ionization threshold, h: position of maximum, xmax: peak mole fraction, φ: equivalence ratio. Calibration methods: RICS (of reference species in parenthesis), convolution (of energy distribution and ionization cross section) or direct (cold gas calibration).
| Species | M | E (eV) | IP (eV) | Calibrated as | Calibration method |
Ref. | φ = 1.0 | φ= 1.7 | ||
|---|---|---|---|---|---|---|---|---|---|---|
| h (mm) | xmax | h (mm) | xmax | |||||||
| CH3 | 15 | 10.5 | 9.84 | Methyl | RICS (CH4) | [22] | 3.0 | 1.92E-03 | 2.5 | 1.53E-03 |
| CH4 | 16 | 12.0 | 12.61 | Methane | Direct | [23] | 3.5 | 3.05E-03 | 3.5 | 4.26E-03 |
| C2H2 | 26 | 12.0 | 11.40 | Acetylene | Direct | [24] | 3.7 | 1.59E-02 | 3.5 | 3.34E-02 |
| C2H3 | 27 | 10.5 | 8.25 | Vinyl | RICS (C2H4) | [25] | 3.0 | 7.98E-06 | 2.0 | 5.95E-06 |
| C2H4 | 28 | 11.25 | 10.51 | Ethene | Direct | [26] | 3.2 | 6.21E-03 | 3.0 | 8.04E-03 |
| C2H5 | 29 | 10.5 | 8.12 | Ethyl | RICS (C4H6) | [25] | 2.7 | 4.10E-05 | 2.5 | 2.52E-05 |
| HCO | 29 | 10.5 | 8.12 | Formyl | Convolution | [25] | 3.0 | 4.46E-05 | 2.0 | 2.97E-05 |
| C2H6 | 30 | 12.0 | 11.52 | Ethane | Direct | [26] | 2.5 | 2.37E-03 | 2.5 | 2.55E-03 |
| CH2O | 30 | 11.25 | 10.88 | Formaldehyde | Convolution | [25] | 2.7 | 3.98E-03 | 3.0 | 3.30E-03 |
| CH4O | 32 | 11.25 | 10.23 | Methanol | Direct | [26] | 1.2 | 2.23E-04 | 1.5 | 1.39E-04 |
| C3H3 | 39 | 10.5 | 8.67 | Propargyl | RICS (C3H6) | [25] | 3.0 | 1.82E-04 | 2.5 | 2.48E-04 |
| C3H4 | 40 | 11.25 | 10.36 | Propyne | RICS (C3H6) | [25] | 3.2 | 2.95E-03 | 3.0 | 4.76E-03 |
| C3H5 | 41 | 10.5 | 8.13 | Allyl | RICS (C3H6) | [25] | 3.0 | 3.05E-04 | 2.5 | 1.90E-04 |
| C2H2O | 42 | 10.5 | 9.62 | Ketene | Convolution | RICS (C2H6O) | 3.2 | 6.37E-04 | 3.0 | 5.51E-04 |
| C3H6 | 42 | 10.5 | 9.73 | Propene | Direct | [26] | 2.7 | 1.83E-03 | 2.0 | 1.13E-03 |
| C2H4O | 44 | 11.25 | 10.23 | Acetaldehyde | Direct | [24] | 3.0 | 1.04E-03 | 3.0 | 6.08E-04 |
| C2H6O | 46 | 11.25 | 10.02 | Dimethylether | Direct | [24] | 2.0 | 3.40E-05 | 2.0 | 2.56E-05 |
| C4H2 | 50 | 11.25 | 10.17 | 1,3-Butadiyne | Convolution | [25] | 4.0 | 5.09E-04 | 3.5 | 2.15E-03 |
| C4H4 | 52 | 10.5 | 9.58 | 1-Butene-3-yne | Convolution | [25] | 3.5 | 1.50E-03 | 3.0 | 2.16E-03 |
| C4H5 | 53 | 10.5 | 7.97 | But-2-yn-1-yl | Convolution | RICS (C4H6) | 3.0 | 3.07E-05 | 2.0 | 3.83E-05 |
| C4H6 | 54 | 10.5 | 9.07 | 1,3-Butadiene | Convolution | [25] | 3.0 | 2.23E-03 | 2.5 | 2.02E-03 |
| C4H7 | 55 | 10.5 | 7.40 | But-3-en-1-yl | RICS (1-C4H8) | [25] | 2.5 | 1.71E-04 | 2.0 | 1.46E-04 |
| C4H8 | 56 | 10.5 | 9.55 | 1-Butene | Direct | [26] | 2.5 | 1.12E-03 | 2.0 | 8.62E-04 |
| C3H4O | 56 | 11.25 | 10.11 | Acrolein | RICS (C3H6O) | [24] | 2.7 | 1.96E-03 | 2.5 | 1.37E-03 |
| C3H6O | 58 | 10.5 | 9.96 | Propanal | Direct | [24] | 2.5 | 3.54E-04 | 2.0 | 1.75E-04 |
| C5H4 | 64 | 10.5 | 9.50 | 1,3-Pentadiyne | RICS (C5H8) | [24] | 3.7 | 2.25E-05 | 3.0 | 5.79E-05 |
| C5H6 | 66 | 10.5 | 8.57 | 1,3-Cyclopentadiene | RICS (C5H8) | [24] | 3.2 | 1.58E-04 | 2.5 | 2.02E-04 |
| C5H7 | 67 | 10.5 | 7.54 | 3-Cyclopentenyl | Convolution | RICS (C5H8) | 2.5 | 2.16E-06 | 2.0 | 2.23E-06 |
| C4H4O | 68 | 10.5 | 8.88 | Furan | Direct | [24] | 3.0 | 3.08E-03 | 2.0 | 3.10E-03 |
| C5H8 | 68 | 10.5 | 8.59 | 1,3-Pentadiene | Direct | [24] | 2.7 | 5.78E-05 | 2.0 | 6.88E-05 |
| C4H6O | 70 | 10.5 | 9.65 | 2-Butenone | Convolution | RICS (butanal) | 2.7 | 3.95E-04 | 2.0 | 2.41E-05 |
| C5H10 | 70 | 10.5 | 9.04 | 2-Pentene | RICS (C5H8) | [24] | 2.2 | 1.10E-04 | 2.0 | 1.24E-04 |
| C4H8O | 72 | 10.5 | 9.71 | Isobutanal | Convolution | RICS (butanal) | 2.2 | 1.14E-04 | 2.0 | 4.21E-05 |
| C6H2 | 74 | 10.5 | 9.50 | Triacetylene | Convolution | [25] | 4.0 | 1.22E-05 | 3.0 | 6.09E-05 |
| C6H4 | 76 | 10.5 | 9.03 | Benzyne | Convolution | RICS (C6H2) | 3.7 | 9.19E-06 | 3.0 | 2.95E-05 |
| C6H6 | 78 | 10.5 | 9.24 | Benzene | Direct | [25] | 3.5 | 1.41E-04 | 3.0 | 2.75E-04 |
| C5H4O | 80 | 10.5 | 8.12 | Allenylketene | Convolution | RICS (butanal) | 3.0 | 5.54E-06 | 2.5 | 5.49E-06 |
| C6H8 | 80 | 10.5 | 8.82 | 1,4-Cyclohexadiene | Convolution | RICS (C6H6) | 2.7 | 2.97E-05 | 2.0 | 4.28E-05 |
| C5H5O | 81 | 10.5 | 7.05 | 2-Furanylmethyl | Convolution | RICS (furan) | 2.5 | 8.22E-05 | 2.0 | 9.74E-05 |
| C5H8O | 84 | 10.5 | 9.39 | 3-Pentene-2-one | Convolution | RICS (acetone) | 2.0 | 5.16E-04 | 1.5 | 2.41E-04 |
| C7H8 | 92 | 10.5 | 8.82 | Toluene | Convolution | RICS (C6H6) | 3.2 | 2.46E-05 | 2.5 | 4.24E-05 |
| C6H6O | 94 | 10.5 | 8.49 | Phenol | Convolution | RICS (C6H6) | 3.0 | 4.16E-05 | 3.0 | 3.65E-05 |
| C5H4O2 | 96 | 10.5 | 9.22 | Furfural | Convolution | RICS (furan) | 2.5 | 6.69E-05 | 2.0 | 6.25E-05 |
| C6H8O | 96 | 10.5 | 8.45 | 2-Ethylfuran | Convolution | RICS (furan) | 2.5 | 2.59E-04 | 2.0 | 2.85E-04 |