Open Access

Table 1

Rate constants discussed in this work.

Reaction α β γ
(cm3 s−1) (K)
H2(v=0)H+H2++H${{\rm{H}}_2}\left( {v = 0} \right){{\rm{H}}^ + } \to {\rm{H}}_2^ + + {\rm{H}}$ 2.70e–10 22 000
H2(v=1)H+H2++H${{\rm{H}}_2}\left( {v = 1} \right){{\rm{H}}^ + } \to {\rm{H}}_2^ + + {\rm{H}}$ 4.00e–10 16 500
H2(v=2)H+H2++H${{\rm{H}}_2}\left( {v = 2} \right){{\rm{H}}^ + } \to {\rm{H}}_2^ + + {\rm{H}}$ 3.20e–10 10 500
H2(v=3)H+H2++H${{\rm{H}}_2}\left( {v = 3} \right){{\rm{H}}^ + } \to {\rm{H}}_2^ + + {\rm{H}}$ 5.74e–11 +0.76 4254
H2(v=4)H+H2++H${{\rm{H}}_2}\left( {v = 4} \right){{\rm{H}}^ + } \to {\rm{H}}_2^ + + {\rm{H}}$ 3.74e–10 +0.75 –126
H2(v=5)H+H2++H${{\rm{H}}_2}\left( {v = 5} \right){{\rm{H}}^ + } \to {\rm{H}}_2^ + + {\rm{H}}$ 2.28e–10 +0.77 –182
H2(v=6)H+H2++H${{\rm{H}}_2}\left( {v = 6} \right){{\rm{H}}^ + } \to {\rm{H}}_2^ + + {\rm{H}}$ 7.58e–10 +0.37 –92
H2(thermal)H+H2++H${{\rm{H}}_2}\left( {{\rm{thermal}}} \right){{\rm{H}}^ + } \to {\rm{H}}_2^ + + {\rm{H}}$ 1.32e–09 +0.42 21 993

H2++HH2+H+${\rm{H}}_2^ + + {\rm{H}} \to {{\rm{H}}_2}{\rm{ + }}{{\rm{H}}^ + }$ 6.64e–10 +0.21 –2.0

HOC++H2(v=0)H3++CO${\rm{HO}}{{\rm{C}}^ + } + {{\rm{H}}_2}\left( {v = 0} \right) \to {\rm{H}}_3^ + {\rm{ + CO}}$ 1.25e–11 +1.07 –80.5
HOC++H2(v=1)H3++CO${\rm{HO}}{{\rm{C}}^ + } + {{\rm{H}}_2}\left( {v = 1} \right) \to {\rm{H}}_3^ + {\rm{ + CO}}$ 3.44e–10 +0.06 3.4
HOC++H2(v=2)H3++CO${\rm{HO}}{{\rm{C}}^ + } + {{\rm{H}}_2}\left( {v = 2} \right) \to {\rm{H}}_3^ + {\rm{ + CO}}$ 4.77e–10 –0.01 7.1
HOC++H2(v=3)H3++CO${\rm{HO}}{{\rm{C}}^ + } + {{\rm{H}}_2}\left( {v = 3} \right) \to {\rm{H}}_3^ + {\rm{ + CO}}$ 5.34e–10 –0.01 –1.9
HOC++H2(v=4)H3++CO${\rm{HO}}{{\rm{C}}^ + } + {{\rm{H}}_2}\left( {v = 4} \right) \to {\rm{H}}_3^ + {\rm{ + CO}}$ 5.40e–10 +0.01 –12.2

HOC+ + H2(v=0) → HCO+ + H2 2.37e–10 –0.37 20.0
HOC+ + H2(v=1) → HCO+ + H2 2.16e–10 –0.35 20.0
HOC+ + H2(v=2) → HCO+ + H2 1.66e–10 –0.33 20.0
HOC+ + H2(v=3) → HCO+ + H2 1.47e–10 –0.37 20.0
HOC+ + H2(v=4) → HCO+ + H2 1.19e–10 –0.29 20.0

HOC+ +H → CO+ +H2 5.10e–10 7125
HCO+ + H → CO+ + H2 1.30e–09 24 500
H3++HH2++H2${\rm{H}}_3^ + + {\rm{H}} \to {\rm{H}}_2^ + + {{\rm{H}}_2}$ 2.10e–09 20000

Notes. Rate constants from fitting the Arrhenius-like form k (T) = α (T/300 K)β exp(–γ/Τ) to reaction rates computed in this study, and valid in the T ≃ 100–2000 K range. For the last three endoergic reactions, see footnote 10.

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