Open Access
Table A.1
H2 vibrational energies (Ev) and Arrhenius fit parameters, kv(T) = α (T/300)βe−γ/T, of the QCT state-specific rate coefficients calculated in this study for reaction S(3P) + H2(v) → SH + H.
| v | Ev (eV) | α (cm3 s−1) | β | γ (K) |
|---|---|---|---|---|
| 0 | 0.270 | 0.052 × 10−10 | 0.636 | 10390.9 |
| 1 | 0.784 | 0.140 × 10−10 | 0.738 | 8000.0 |
| 2 | 1.270 | 0.363 × 10−10 | 0.712 | 5572.2 |
| 3 | 1.727 | 0.337 × 10−10 | 0.835 | 3305.9 |
| 4 | 2.156 | 0.766 × 10−10 | 0.646 | 2454.9 |
| 5 | 2.557 | 1.590 × 10−10 | 0.492 | 2163.0 |
| 6 | 2.931 | 1.362 × 10−10 | 0.598 | 1312.4 |
| 7 | 3.275 | 1.914 × 10−10 | 0.531 | 989.3 |
| 8 | 3.599 | 2.718 × 10−10 | 0.466 | 790.3 |
| 9 | 3.884 | 3.567 × 10−10 | 0.419 | 608.7 |
| 10 | 4.134 | 4.227 × 10−10 | 0.399 | 407.6 |
| 11 | 4.349 | 5.773 × 10−10 | 0.332 | 342.4 |
| 12 | 4.523 | 6.632 × 10−10 | 0.313 | 191.5 |
| thermal | 4.000 × 10−10 | 15500.0 |
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