Table 1
Rate coefficient parameters for O(3P) + H2 (v, j).
Initial H2 state | α (cm3 s−1) | β | γ (K) | Initial H2 state | α (cm3 s−1) | β | γ (K) | |||
---|---|---|---|---|---|---|---|---|---|---|
j = 0 | 4.873 × 10−14 | 2.9453 | 3145.4 | j = 0 | 1.269 × 10−11 | 1.2721 | 87.9 | |||
j = 1 | 3.849 × 10−14 | 3.0578 | 2827.4 | j = 1 | 2.537 × 10−11 | 0.9839 | 181.8 | |||
j = 2 | 2.975 × 10−14 | 3.2066 | 2378.9 | j = 2 | 2.834 × 10−11 | 0.9737 | 116.5 | |||
j = 3 | 1.642 × 10−14 | 3.5176 | 1818.9 | j = 3 | 2.708 × 10−11 | 1.0343 | 75.0 | |||
v = 0 | j = 4 | 6.650 × 10−15 | 3.9662 | 1224.9 | v = 4 | j = 4 | 2.721 × 10−11 | 1.0737 | 123.5 | |
j = 5 | 7.522 × 10−15 | 3.9510 | 1045.5 | j = 5 | 3.099 × 10−11 | 1.0361 | 156.3 | |||
j = 6 | 8.392 × 10−15 | 3.9388 | 912.4 | j = 6 | 3.686 × 10−11 | 0.9562 | 111.5 | |||
j = 7 | 1.097 × 10−14 | 3.8553 | 848.8 | j = 7 | 4.902 × 10−11 | 0.8408 | 103.4 | |||
j = 8 | 1.538 × 10−14 | 3.7356 | 793.8 | j = 8 | 6.081 × 10−11 | 0.7665 | 95.3 | |||
j = 9 | 1.968 × 10−14 | 3.6597 | 703.5 | j = 9 | 7.297 × 10−11 | 0.7072 | 84.2 | |||
j = 10 | 2.823 × 10−14 | 3.5505 | 662.5 | j = 10 | 9.703 × 10−11 | 0.6053 | 148.6 | |||
j = 0 | 5.833 × 10−15 | 4.1903 | 354.2 | j = 0 | 3.758 × 10−11 | 0.8816 | −63.7 | |||
j = 1 | 1.504 × 10−14 | 3.7943 | 484.4 | j = 1 | 4.797 × 10−11 | 0.8114 | −7.2 | |||
j = 2 | 2.956 × 10−14 | 3.5601 | 466.7 | j = 2 | 5.290 × 10−11 | 0.8122 | −3.4 | |||
j = 3 | 3.277 × 10−14 | 3.5936 | 296.4 | j = 3 | 5.541 × 10−11 | 0.8329 | 10.3 | |||
v = 1 | j = 4 | 5.233 × 10−14 | 3.4386 | 308.0 | v = 5 | j = 4 | 6.032 × 10−11 | 0.8214 | 49.8 | |
j = 5 | 6.747 × 10−14 | 3.3745 | 307.5 | j = 5 | 6.902 × 10−11 | 0.7596 | 37.8 | |||
j = 6 | 7.963 × 10−14 | 3.3506 | 303.9 | j = 6 | 8.384 × 10−11 | 0.6871 | 62.7 | |||
j = 7 | 2.245 × 10−13 | 2.9066 | 554.3 | j = 7 | 1.083 × 10−10 | 0.5929 | 69.8 | |||
j = 8 | 3.009 × 10−13 | 2.8003 | 535.9 | j = 8 | 1.237 × 10−10 | 0.5479 | 10.4 | |||
j = 9 | 3.708 × 10−13 | 2.7379 | 474.3 | j = 9 | 1.410 × 10−10 | 0.5093 | −0.5 | |||
j = 10 | 4.796 × 10−13 | 2.6591 | 404.5 | j = 10 | 1.547 × 10−10 | 0.4875 | 2.9 | |||
j = 0 | 2.308 × 10−13 | 2.7935 | 319.1 | j = 0 | 6.124 × 10−11 | 0.8417 | −9.7 | |||
j = 1 | 6.629 × 10−13 | 2.3507 | 475.4 | j = 1 | 8.904 × 10−11 | 0.6775 | −24.5 | |||
j = 2 | 1.993 × 10−12 | 1.8977 | 610.9 | j = 2 | 1.220 × 10−10 | 0.5626 | 1.1 | |||
j = 3 | 3.118 × 10−12 | 1.7319 | 600.6 | j = 3 | 1.243 × 10−10 | 0.5739 | −6.8 | |||
v = 2 | j = 4 | 2.491 × 10−12 | 1.8734 | 482.1 | v = 6 | j = 4 | 1.225 × 10−10 | 0.5886 | −30.5 | |
j = 5 | 1.890 × 10−12 | 2.0457 | 397.2 | j = 5 | 1.365 × 10−10 | 0.5445 | −35.3 | |||
j = 6 | 1.905 × 10−12 | 2.0860 | 382.1 | j = 6 | 1.487 × 10−10 | 0.5239 | −35.0 | |||
j = 7 | 3.816 × 10−12 | 1.7968 | 533.1 | j = 7 | 1.729 × 10−10 | 0.4752 | −23.5 | |||
j = 8 | 6.600 × 10−12 | 1.5654 | 591.6 | j = 8 | 2.050 × 10−10 | 0.4161 | −29.7 | |||
j = 9 | 8.468 × 10−12 | 1.4712 | 547.7 | j = 9 | 2.280 × 10−10 | 0.3848 | −33.5 | |||
j = 10 | 9.667 × 10−12 | 1.4332 | 463.3 | j = 10 | 2.422 × 10−10 | 0.3759 | −27.0 | |||
j = 0 | 2.949 × 10−12 | 1.8080 | 279.0 | j = 0 | 1.686 × 10−10 | 0.5093 | −5.7 | |||
j = 1 | 8.269 × 10−12 | 1.3639 | 417.9 | j = 1 | 1.829 × 10−10 | 0.4753 | −28.7 | |||
j = 2 | 1.634 × 10−11 | 1.0928 | 453.1 | j = 2 | 1.971 × 10−10 | 0.4509 | −27.7 | |||
j = 3 | 1.633 × 10−11 | 1.1446 | 403.6 | j = 3 | 2.007 × 10−10 | 0.4486 | −32.0 | |||
v = 3 | j = 4 | 1.482 × 10−11 | 1.2310 | 407.4 | v = 7 | j = 4 | 2.088 × 10−10 | 0.4367 | −37.6 | |
j = 5 | 1.296 × 10−11 | 1.3220 | 373.7 | j = 5 | 2.292 × 10−10 | 0.4004 | −29.9 | |||
j = 6 | 1.582 × 10−11 | 1.2313 | 344.8 | j = 6 | 2.390 × 10−10 | 0.3966 | −25.6 | |||
j = 7 | 3.020 × 10−11 | 0.9518 | 442.9 | j = 7 | 2.644 × 10−10 | 0.3703 | −11.1 | |||
j = 8 | 3.933 × 10−11 | 0.8634 | 443.7 | j = 8 | 3.021 × 10−10 | 0.3258 | −2.9 | |||
j = 9 | 4.666 × 10−11 | 0.8169 | 426.5 | j = 9 | 3.261 × 10−10 | 0.3056 | 2.5 | |||
j = 10 | 4.734 × 10−11 | 0.8362 | 360.0 | j = 10 | 3.319 × 10−10 | 0.3127 | 9.5 |
Notes. The parameters α, β, and γ are obtained by fitting the QM/QCT rate coefficients (provided as Supplementary Information) to the expression
, where T
is the temperature in degrees Kelvin. The fits are valid for the temperature range 100–3000 K, except for v = 0, j = 0–3, in which case the fits are only valid in the 200–3000 K temperature range.
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