Modelling of an Atmospheric–Pressure Air Glow Discharge Operating in High–Gas Temperature Regimes: The Role of the Associative Ionization Reactions Involving Excited Atoms
Abstract
:1. Introduction
2. Modeling of an Atmospheric-Pressure Air Glow Discharge Operated in High-Gas-Temperature Regimes
3. Results and Discussion
4. Conclusions
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
Appendix A
Rj | Reaction | Rate Coefficient (m3/s or m6/s) | Reference |
---|---|---|---|
Electron-Impact Processes | |||
R1 | e + N2(X) → e + e + N2+ | k1 = f (E/N) | [49,50] |
R2 | e + O2 → e + e + O2+ | k2 = f (E/N) | [49,50] |
R3 | e + NO → e + e + NO+ | k3 = f (E/N) | [49,50] |
R4 | e + O(3P) → e + e + O+ | k4 = f (E/N) | [49,50] |
R5 | e + N2(X) → e + N2* (∆E = 13 eV) e + N(4S) + N(2D) | k5 = f (E/N) | [49,50] |
R6 | e + O2 → e + O2* (∆E = 6.0 eV) e + O(3P) + O(3P) + 0.8 eV | k6 = f (E/N) | [49,50] |
R7 | e + O2 → e + O2 (∆E = 8.4 eV) e + O(3P) + O(1D) + 1.26 eV | k7 = f (E/N) | [49,50] |
R8 | e + O2 → e + O2 (∆E = 9.97 eV) e + O(3P) + O(1S) + 0.6 eV | k8 = f (E/N) | [49,50] |
R9 | e + N2(X) → e + N2(A) | k9 = f (E/N) | [49,50] |
R10 | e + N2(X) → e + N2(B) | k10 = f (E/N) | [49,50] |
R11 | e + N2(X) → e + N2(a’) | k11 = f (E/N) | [49,50] |
R12 | e + N2(X) → e + N2(C) | k12 = f (E/N) | [49,50] |
Associative Ionization | |||
R13 | N(4S) + O(3P) → NO+ + e | k13 = 5 × 10−17 Tg−0.5 e(−32500/Tg) | [51] |
R14 | N(4S) + O(1S) → NO+ + e | k14 = (1–3) × 10−17 (Tg/300)1/6 | [18] |
R15 | N(4S) + O(1D) → NO+ + e | k15 = 3.1 × 10−25 Tg0.5 (9287 + 2Tg) e(−9287/Tg) | [52] |
R16 | N(2D) + O(3P) → NO+ + e | k16 = 1.3 × 10−24 Tg0.5 (4411 + 2Tg) e(−4411/Tg) | [20,21] |
R17 | N(2D) + N(2P) → N2+ + e | k17 = 1.9 × 10−21 Tg0.98 | [53] |
[1 − e(−3129/Tg)] −1 | |||
R18 | N(2P) + O(3P) → NO+ + e | k18 = (1–3) × 10−17 (Tg/300)1/6 | [18] |
R19 | N(2P) + N(2P) → N2+ + e | k19 = 3.2 × 10−21 Tg0.98 | [53] |
[1 − e(−3129/Tg)] −1 | |||
Penning Ionization | |||
R20 | N2(A) + N2(a’) → N2+ + N2(X) + e | k20 = 5 × 10−17 | [54] |
R21 | N2(a’) + N2(a’) → N2+ + N2(X) + e | k21 = 2 × 10−16 | [54] |
Dissociative electron–Ion Recombination | |||
R22 | e + NO+ → N(4S) + O(3P) | k22 = 0.05 × 1.5 × 10−11 Te−0.65 | [55,56] |
k22 = 0.05 ×1.1 × 10−8 Te−1.5 | [48] | ||
R23 | e + NO+ → N(2D) + O(3P) | k23 = 0.95 × 1.5 × 10−11 Te−0.65 | [55,56] |
k23 = 0.95 × 1.1 × 10−8 Te−1.5 | [56,48] | ||
R24 | e + N2+ → N(4S) + N(2D) | k24 = 0.46 × 2.0 × 10−13 (300/Te)0.5 | [22,57] |
R25 | e + N2+ → N(4S) + N(2P) | k25 = 0.08 × 2.0 × 10−13 (300/Te)0.5 | [22,57] |
R26 | e + N2+ → N(2D) + N(2D) | k26 = 0.46 × 2.0 × 10−13 (300/Te)0.5 | [22,57] |
R27 | e + O2+ → O(3P) + O(3P) | k27 = 0.32 × 2.0 × 10−13 (300/Te) | [22,57] |
R28 | e + O2+ → O(3P) + O(1D) | k28 = 0.43 × 2.0 × 10−13 (300/Te) | [22,57] |
R29 | e + O2+ → O(1D) + O(1D) | k29 = 0.20 × 2.0 × 10−13 (300/Te) | [22,57] |
R30 | e + O2+ → O(1D) + O(1S) | k30 = 0.05 × 2.0 × 10−13 (300/Te) | [22,57] |
Three Body Electron–Ion Recombination | |||
R31 | e + e + O+ → e + O(3P) | k31 = 1.0 × 10−31 (300/Te)4.5 | [22] |
Thermal Dissociation/Three-Body Recombination | |||
R32 | N2(X) + M → N(4S) + N(4S) + M | k32 = 5 × 10−14 e(−113200/Tg) | [10] |
M = N2(X), O2, and NO | [1 − e(−3354/Tg)] | ||
R33 | N2(X) + M → N(4S) + N(4S) + M | k33 = 1.1 × 10−13 e(−113200/Tg) | [10] |
M = N(4S) and O(3P) | [1 − e(−3354/Tg)] | ||
R34 | N(4S) + N(4S) + M → N2(X) + M M = N2(X), O2, NO, O(3P), N(4S) | k34 = 8.27 × 10−46 e(500/Tg) | [10] |
R35 | O2(X) + M → O(3P) + O(3P) + M M = O2 | k35 = 3.7 × 10−14 e(−59380/Tg) [1 − e(−2240/Tg)] | [10] |
R36 | O2(X) + M → O(3P) + O(3P) + M M = O(3P) | k36 = 1.3 × 10−13 e(−59380/Tg) [1 − e(−2240/Tg)] | [10] |
R37 | O2(X) + M → O(3P) + O(3P) + M M = N2(X), N(4S), and NO | k37 = 9.3 × 10−15 e(−59380/Tg) [1 − e(−2240/Tg)] | [10] |
R38 | O(3P) + O(3P) + M → O2(X) + M M = N2(X) | k38 = 2.76 × 10−46 e(720/Tg) | [10] |
R39 | O(3P) + O(3P) + M → O2(X) + M M = O2 | k39 = 2.45 × 10−43 Tg−0.63 | [10] |
R40 | O(3P) + O(3P) + M → O2(X) + M M = O(3P) | k40 = 8.8 × 10−43 Tg−0.63 | [10] |
R41 | NO + M → N(4S) + O(3P) + M M = N2(X) and O2 | k41 = 8.7 × 10−15 e(−76000/Tg) | [10] |
R42 | NO + M → N(4S) + O(3P) + M M = O(3P) and NO | k42 = 1.7 × 10−13 e(−76000/Tg) | [10] |
R43 | N(4S) + O(3P) + M → NO(X) + M M = N2(X), O2, NO, and O(3P) | k43 = 1.76 × 10−43 Tg−0.5 | [10] |
Chemical Reactions | |||
R44 | N2(A) + O2 → N2(X) + 2 O(3P) + 1.1 eV | k44 = 1.7 × 10−18 | [58] |
R45 | N2(A) + O2 → N2(X) + O2(b) | k45 = 7.5 × 10−19 | [58] |
R46 | N2(A) + N2(A) → N2(X) + N2(B) | k46 = 7.7 × 10−17 | [59] |
R47 | N2(A) + N2(A) → N2(X) + N2(C) | k47 = 1.6 × 10−16 | [59] |
R48 | N2(A) + O(3P) → N2(X) + O(1S) | k48 = 2.1 × 10−17 | [22] |
R49 | N2(A) + O(3P) → NO + N(2D) | k49 = 7.0 × 10−18 | [22] |
R50 | N2(A) + N(4S) → N2(X) + N(2P) | k50 = 5.0 × 10−17 | [60] |
R51 | N2(A) + NO → N2(X) + NO | k51 = 6.4 × 10−17 | [58] |
R52 | N2(B) + O2 → N2(X) + 2 O(3P) | k52 = 3.0 × 10−16 | [22] |
R53 | N2(B) + N2(X) → N2(X) + N2(A) | k53 = 1.0 × 10−17 | [60] |
R54 | N2(a’) + O2 → N2(X) + O(3P) + O(1D) + 1.4 eV | k54 = 2.8 × 10−17 | [22] |
R55 | N2(a’) + N2(X) → N2(X) + N2(B) | k55 = 2.0 × 10−19 | [22] |
R56 | N2(a’) + O(3P) → NO + N(2D) | k56 = 3.0 × 10−16 | [61] |
R57 | N2(a’) + NO → N(4S) + O(3P) + N2(X) | k57 = 3.6 × 10−16 | [62] |
R58 | N2(C) + O2 → N2(X) + 2O(3P) | k58 = 2.5 × 10−16 | [63] |
R59 | N2(C) + N2(X) → N2(X) + N2(B) | k59 = 1.0 × 10−17 | [63] |
R60 | N2(C) → N2(B) + hυ | k60 = 2.4 × 107 s−1 | [22] |
R61 | N(4S) + NO → O(3P) + N2(X) | k61 = 1.0 × 10−18 Tg0.5 | [22] |
R62 | N(4S) + O2 → O(3P) + NO | k62 = 1.1 × 10−20 Tg e(−3150/Tg) | [22] |
R63 | N(2D) + N2(X) → N(4S) + N2(X) | k63 = 1.7 × 10−20 | [58] |
R64 | N(2D) + O(3P) → N(4S) + O(3P) | k64 = 1.4 × 10−18 | [58] |
R65 | N(2D) + O2 → NO + O(3P) | k65 = 2.4 × 10−18 e(−185/Tg) | [58] |
R66 | N(2D) + O2 → NO + O(1D) | k66 = 7.3 × 10−18 e(−185/Tg) | [58] |
R67 | N(2D) + NO → N2(X) + O(1S) | k67 = 6.0 × 10−17 | [58] |
R68 | N(2P) + N(4S) → N(2D) + N(4S) | k68 = 1.8 × 10−18 | [22] |
R69 | N(2P) + O(3P) → N(2D) + O(3P) | k69 = 1.0 × 10−18 | [60] |
R70 | N(2P) + O2 → NO + O(3P) | k70 = 2.5 × 10−18 | [58] |
R71 | N(2P) + NO → N2(X) + O(3P) | k71 = 2.9 × 10−17 | [58] |
R72 | O(3P) + N2(X) → N(4S) + NO | k72 = 1.3 × 10−16 e(−38000/Tg) | [10] |
R73 | O(3P) + NO → N(4S) + O2 | k73 = 2.5 × 10−21 Tg e(−19500/Tg) | [10] |
R74 | O(1D) + O(3P) → O(3P) + O(3P) | k74 = 8.0 × 10−18 | [22] |
R75 | O(1D) + O2 → O(3P) + O2(b) | k75 = 3.2 × 10−17 e(67/Tg) | [22] |
R76 | O(1D) + N2(X) → O(3P) + N2(X) + 1.4 eV | k76 = 1.8 × 10−17 e(107/Tg) | [22] |
R77 | O(1S) + O(3P) → O(1D) + O(3P) | k77 = 5.0 × 10−17 e(−301/Tg) | [22] |
R78 | O(1S) + O2 → O2 + O(3P) | k78 = 3.0 × 10−18 e(−850/Tg) | [22] |
R79 | O(1S) + O2 → O2 + O(1D) | k79 = 1.3 × 10−18 e(−850/Tg) | [22] |
R80 | O(1S) + N(4S) → O(3P) + N(2P) | k80 = 1.0 × 10−18 | [60] |
R81 | O(1S) + NO → O(3P) + NO | k81 = 1.8 × 10−16 | [22] |
R82 | O(1S) + NO → O(1D) + NO | k82 = 3.2 × 10−16 | [22] |
Electron Attachment and Detachment | |||
R83 | e + O2 + O2 → O2− + O2 | k83 = 1.4 × 10−41 (300/Te) e(−660/Tg) e[700 (Te − Tg)/(Te Tg)] | [22] |
R84 | e + O2 → O− + O(3P) | k84 = f(E/N) | [49,50] |
R85 | O2− + O2 → O2 + O2 + e | k85 = 2.7 × 10−16 (Tg/300)0.5 e(−5590/Tg) | [22] |
R86 | O2− + O(3P) → O3 + e | k86 = 1.5 × 10−16 | [22] |
R87 | O− + N2(X) → N2O + e | k87 = 9.0 × 10−19 | [22] |
R88 | O− + O(3P) → O2 + e | k88 = 5.0 × 10−16 | [22] |
R89 | O− + NO → NO2 + e | k89 = 2.6 × 10−16 | [22] |
R90 | O3− + O(3P) → O2 + O2 + e | k90 = 3.0 × 10−16 | [22] |
Ion Conversi on | |||
R91 | O− + O2(X) + M → O3− + M M = N2(X),O2 | k91 = 1.1 × 10−42 (300/Tg) | [22] |
R92 | O+ + N2(X) → NO+ + N(4S) | k92 = (1.5 − 2.0 × 10−3 Tg + 9.56 × 10−7 Tg2) × 10−18 | [60] |
R93 | N2+ + O2(X) → N2(X) + O2+ | k93 = 6 × 10−17 (300/Tg)0.5 | [22] |
R94 | N2+ + O(3P) → N2(X) + O+ | k94 = 1.0 × 10−17 (300/Tg)0.2 | [22] |
R95 | N2+ + O(3P) → NO+ + N(4S) | k95 = 0.95 × 1.3 × 10−16 (300/Tg)0.5 | [22,64] |
R96 | N2+ + O(3P) → NO+ + N(2D) | k96 = 0.05 × 1.3 × 10−16 (300/Tg)0.5 | [22,64] |
R97 | O2+ + NO → NO+ + O2 | k97 = 6.3 × 10−16 | [60] |
Ion–Ion Recombination | |||
R98 | X− + Y+ → X + Y X− = O−, O2−, and O3− Y+ = N2+, O2+, NO+, and O+ | k98 = 2.0 × 10−13 (300/Tg)0.5 | [22] |
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Cejas, E.; Mancinelli, B.; Prevosto, L. Modelling of an Atmospheric–Pressure Air Glow Discharge Operating in High–Gas Temperature Regimes: The Role of the Associative Ionization Reactions Involving Excited Atoms. Plasma 2020, 3, 12-26. https://doi.org/10.3390/plasma3010003
Cejas E, Mancinelli B, Prevosto L. Modelling of an Atmospheric–Pressure Air Glow Discharge Operating in High–Gas Temperature Regimes: The Role of the Associative Ionization Reactions Involving Excited Atoms. Plasma. 2020; 3(1):12-26. https://doi.org/10.3390/plasma3010003
Chicago/Turabian StyleCejas, Ezequiel, Beatriz Mancinelli, and Leandro Prevosto. 2020. "Modelling of an Atmospheric–Pressure Air Glow Discharge Operating in High–Gas Temperature Regimes: The Role of the Associative Ionization Reactions Involving Excited Atoms" Plasma 3, no. 1: 12-26. https://doi.org/10.3390/plasma3010003