Table B.1
Reactions of the new chemical sub-network of CH3OH not involvinga logarithmic dependence with pressure, extracted from Burke et al. (2016).
| Reaction | Rate |
|---|---|
| HCOH + O2 → CO2 + H + OH | k0 = 8.306 × 10−12 |
| HCOH + O3P → CO2 + H + H | k0 = 8.306 × 10−11 |
| HCOH + O3P → CO + OH + H | k0 = 4.983 × 10−11 |
| HCOH + O2 ⇌ CO2 + H2O | k0 = 4.983 × 10−11 |
| HCOH + H ⇌ H2CO + H | k0 = 3.322 × 10−10 |
| HCOH + OH ⇌ HCO + H2O | k0 = 3.322 × 10−11 |
| HOCHO ⇌ CO + H2O | k0 = 2.45 × 1012e−30400∕T |
| HOCHO ⇌ CO2 + H2 | k0 = 2.95 × 109e−24390∕T |
| HOCHO + H → H2 + CO2 + H | k0 = 7.043 × 10−18T2.1e−2447∕T |
| HOCHO + H → H2 + CO + OH | k0 = 1.002 × 10−10T−0.35e−1502∕T |
| HOCHO + O3P → CO + 2 OH | k0 = 2.94 × 10−6 T−1.9e−1496∕T |
| HOCHO + OH → H2O + CO2 + H | k0 = 4.352 × 10−18T2.06e−460.5∕T |
| HOCHO + OH → H2O + CO + OH | k0 = 3.073 × 10−17T1.51e483.7∕T |
| HOCHO + CH3 → CH4 + CO + OH | k0 = 6.478 × 10−31T5.8e−1106∕T |
| HOCHO + OOH → H2O2 + CO + OH | k0 = 1.661 × 10−12e−5993∕T |
| H2CO + H (+M) ⇌ CH2OH (+M) |  |
| H2CO + OH ⇌ HOCH2O | k0 = 7.475 × 10−9T−1.1 |
| HOCH2O ⇌ HOCHO + H | k0 = 1.0 × 1014e−7491∕T |
| CH3OH (+M) ⇌ CH3 + OH (+M) |  |
| CH3OH (+M) ⇌3CH2 + H2O (+M) |  |
| CH3OH (+M) ⇌ CH2OH + H (+M) |  |
| CH3OH + H ⇌ CH2OH + H2 | k0 = 5.1 × 10−19T2.55e−2735∕T |
| CH3OH + O2 ⇌ CH3O + OOH | k0 = 5.947 × 10−20T2.27e−21500∕T |
| CH3OH + OOH ⇌ CH3O + H2O2 | k0 = 2.027 × 10−12e−10090∕T |
| CH3OH + CH3OO ⇌ CH2OH + CH3OOH | k0 = 3.007 × 10−12e−6893∕T |
| CH2 OH + OOH ⇌ HOCH2 O + OH | k0 = 1.661 × 10−11 |
| CH2 OH + O2 ⇌ H2 CO + OOH | k0 = 2.508 × 10−9T−1 |
| CH2 OH + O2 ⇌ H2 CO + OOH | k0 = 4.003 × 10−10e−2522∕T |
| CH2 OH + HCO ⇌ CH3 OH + CO | k0 = 1.661 × 10−11 |
| CH2 OH + CH2 OH ⇌ H2 CO + CH3OH | k0 = 4.983 × 10−12 |
| CH3 OH + CH3 ⇌ CH2 OH + CH4 | k0 = 3.538 × 10−25T3.953e−3547∕T |
| CH3 OH + CH3 ⇌ CH3 O + CH4 | k0 = 5.349 × 10−21T2.425e−4313∕T |
| CH3 OH + HCO ⇌ CH2 OH + H2 CO | k0 = 1.6 × 10−20T2.9e−6591∕T |
| CH3 OH + H ⇌ CH3 O + H2 | k0 = 3.306 × 10−19T2.56e−5178∕T |
| CH3 OH + O3 P ⇌ CH3 O + OH | k0 = 6.445 × 10−20T2.5e−1549∕T |
| CH3 OH + O3 P ⇌ CH2 OH + OH | k0 = 6.445 × 10−19T2.5e−1549∕T |
| CH3 OH + OH ⇌ CH3 O + H2 O | k0 = 2.492 × 10−22T3.03e383.6∕T |
| CH3 OH + OH ⇌ CH2 OH + H2 O | k0 = 5.116 × 10−20T2.65e405.6∕T |
| CH3 OH + O2 ⇌ CH2 OH + OOH | k0 = 5.947 × 10−19T2.27e−21500∕T |
| CH3 OH + OOH ⇌ CH2 OH + H2 O2 | k0 = 5.415 × 10−11e−9443∕T |
| CH3 + OOH ⇌ CH3 O + OH | k0 = 1.661 × 10−12T0.269e345.7∕T |
| CH3 O (+M) ⇌ H2 CO + H (+M) |  |
| CH3 O + O2 ⇌ H2 CO + OOH | k0 = 7.276 × 10−43T9.5e2766∕T |
| CH3 O + H ⇌ H2 CO + H2 | k0 = 3.322 × 10−11 |
| CH3 O + CH3 ⇌ H2 CO + CH4 | k0 = 1.993 × 10−11 |
| H2 CO + CH3 O ⇌ HCO + CH3 OH | k0 = 1.1 × 10−12e−1153∕T |
| C2 H4 + CH3 O ⇌ C2 H3 + CH3OH | k0 = 1.993 × 10−13e−3394∕T |
| 2 OH (+M) ⇌ H2 O2 (+M) |  |
| CO + OH ⇌ CO2 + H | k0 = 4.983 × 10−20T1.5e251.4∕T |
Notes. These reactions are either totally new compared to the former scheme, or the reaction rate has been modified. The corresponding reaction rates are expressed with a modified Arrhenius law
, with T in Kelvin, Ea∕R in Kelvin, and n dimensionless. k0 and k∞ are the reaction rates in the low and high pressure regimes, respectively. For k0, unit of A is as follows: s−1 K−n for thermal dissociations, cm3 molecule−1 s−1 K−n for bimolecular reactions or decomposition reaction with a second-body M, and cm6 molecule−2 s−1 K−n for combination reactions with a third-body M. For k∞, unit of A is as follows: s−1 K−n for decomposition reactions (behavior of a thermal dissociation), and cm3 molecule−1 s−1 and K−n for combinationreactions (behavior of bimolecular reactions).
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