Table E.1
Chemical reactions from Boulangier et al. (2019) and Kiefer et al. (2023) added to the NCHO thermo network of VULCAN.
| Index (RNr) | Reaction | Reaction rate coefficient k | Origin |
|---|---|---|---|
| 1 | Ti + CO2 → TiO + CO | 7 × 10−11 exp(−14.9/(RT)) | (1) |
| 2 | TiO + CO → Ti + CO2 | 7 × 10−11 exp(−14.9/(RT)) EQR564 | (1) |
| 3 | Ti + N2O → TiO + N2 | 1.74 × 10−10 exp(−14.3/(RT)) | (1) |
| 4 | TiO + N2 → Ti + N2O | 1.74 × 10−10 exp(−14.3/(RT)) EQR566 | (1) |
| 5 | Ti + NO → TiO + N | 3.28 × 10−11 exp(−3.62/(RT)) | (1) |
| 6 | TiO + N → Ti + NO | 3.28 × 10−11 exp(−3.62/(RT)) EQR565 | (1) |
| 7 | Ti + NO2 → TiO + NO | 9 × 10−11 | (1) |
| 8 | TiO + NO → Ti + NO2 | 9 × 10−11 EQR567 | (1) |
| 9 | Ti + O2 → TiO + O | 1.69 × 10−10 exp(−11.6/(RT)) | (1) |
| 10 | TiO + O → Ti + O2 | 1.69 × 10−10 exp(−11.6/(RT)) EQR569 | (1) |
| 11 | Ti + SO2 → TiO + SO | 1.7 × 10−10 exp(−2.66/(RT)) | (1) |
| 12 | TiO + SO → Ti + SO2 | 1.7 × 10−10 exp(−2.66/(RT)) EQR572 | (1) |
| 13 | TiO + NO → TiO2 + N | 2.2 × 10−12 | (4) |
| 14 | TiO2 + N → TiO + NO | 2.2 × 10−12 EQR574 | (4) |
| 15 | TiO + O2 → TiO2 + O | 7.07 × 10−12 | (5) |
| 16 | TiO2 + O → TiO + O2 | 7.07 × 10−12 EQR570 | (5) |
| 17 | TiO + OH → TiO2 + H | 2.07 × 10−10 T0.39 | (3) |
| 18 | TiO2 + H → TiO + OH | 2.07 × 10−10 T0.39 EQS18 | (0) |
| 19 | (TiO2)2 + M → TiO2 + TiO2 + M | 1.4 × 10−4 exp(−48870/T) | (3) |
| 20 | TiO2 + TiO2 + M → (TiO2)2 + M | 1.4 × 10−4 exp(−48870/T) EQS20 | (6) |
| 21 | (TiO2)3 + M → (TiO2)2 + TiO2 + M | 1.4 × 10−9 exp(−62411/T) | (6) |
| 22 | (TiO2)2 + TiO2 + M → (TiO2)3 + M | 1.4 × 10−9 exp(−62411/T) EQS22 | (6) |
| 23 | (TiO2)4 + M → (TiO2)3 + TiO2 + M | 1.4 × 10−9 exp(−53569/T) | (6) |
| 24 | (TiO2)3 + TiO2 + M → (TiO2)4 + M | 1.4 × 10−9 exp(−53569/T) EQS24 | (6) |
| 25 | (TiO2)4 + M → (TiO2)2 + (TiO2)2 + M | 1.4 × 10−9 exp(−57194/T) | (6) |
| 26 | (TiO2)2 + (TiO2)2 + M → (TiO2)4 + M | 1.4 × 10−9 exp(−57914/T) EQS26 | (6) |
| 27 | Si + OH → SiO + H | 10−10 | (2) |
| 28 | Si + CO → SiO + C | 1.3 × 10−9 exp(−34513/T) | (2) |
| 29 | Si + CO2 → SiO + CO | 2.72 × 10−11 exp(−282/T) | (2) |
| 30 | Si + NO → SiO + N | 9 × 10−11 (T/300)−0.96 exp(−28/T) | (2) |
| 31 | Si + O2 → SiO + O | 1.72 × 10−10 (T/300)−0.53 exp(−17/T) | (2) |
| 32 | Si + O → SiO | 5.52 × 10−18 (T/300)0.31 | (2) |
| 33 | Si + OH → SiO + H | 1 × 10−10 | (2) |
| 34 | SiO + OH → SiO2 + H | 2 × 10−12 | (2) |
| 35 | SiO2 + H → SiO + OH | 2 × 10−12 EQR516 | (2) |
| 36 | Si + HCO+ → SiH+ + CO | 1.6 × 10−9 | (2) |
| 37 | Si + P+ → Si+ + P | 1 × 10−9 | (2) |
| 38 | Si + He+ → Si+ + He | 3.3 × 10−9 | (2) |
| 39 | Si + S+ → Si+ + S | 1.6 × 10−9 | (2) |
| 40 | Si+ + OH → SiO+ + H | 6.3 × 10−10 (T/300)−0.5 | (2) |
| 41 | Si+ + H → Si + H | 1.17 × 10−17 (T/300)−0.14 | (2) |
| 42 | Si+ + H− → Si + H | 7.51 × 10−8 (T/300)−0.5 | (2) |
| 43 | Si+ + HF → SiF+ + H | 5.7 × 10−9 (T/300)−0.5 | (2) |
| 44 | Si+ + Na → Si + Na+ | 2.7 × 10−9 | (2) |
| 45 | Si+ + Fe → Si + Fe+ | 1.9 × 10−9 | (2) |
| 46 | SiO+ + N → Si+ + NO | 2.1 × 10−10 | (2) |
| 47 | SiO+ + Fe → SiO + Fe+ | 1 × 10−9 | (2) |
| 48 | SiO+ + C → Si+ + CO | 1 × 10−9 | (2) |
| 49 | SiO+ + O → Si+ + O2 | 2 × 10−10 | (2) |
| 50 | SiO2 + He+ → O2 + Si+ + He | 2 × 10−9 | (2) |
| 51 | SiH+ + H → Si+ + H2 | 1.9 × 10−9 | (2) |
| 52 | Si+ + e− → Si + γ | 4.26 × 10−12 (T/300)−0.61 | (2) |
| 53 | SiO+ + e− → Si + O | 2 × 10−7 (T/300)−0.5 | (2) |
| 54 | SiH+ + e− → Si + H | 2 × 10−7 (T/300)−0.5 | (2) |
| 55 | SiF+ + e− → Si + F | 2 × 10−7 (T/300)−0.5 | (2) |
Notes.The first block describes the Ti chemistry; the second block describes the Si chemistry. For the definition of EQRi, see Boulangier et al. (2019), where i is the reaction number as defined in their work. References: (0) this work, (1) Campbell & McClean (1993), (2) McElroy et al. (2013), (3) Plane (2013), (4) Ritter & Weisshaar (2002), (5) Higuchi et al. (2008), and (6) Kiefer et al. (2023).
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