Table B.1.
List of reactions included in our chemical model.
Tag | Reaction | Rate coefficient (cm3 s−1, cm6 s−1, s−1) | Ref. | |
---|---|---|---|---|
H01H_01 | H+ + e− → H + γ | krec = CH ⋅ αH; | 1 | |
αH = F ⋅ a1 ⋅ 10−19ta2/(1.0 + a3ta4), | ||||
F = 1.14, a1 = 4.309, a2 = −0.6166, | ||||
a3 = 0.6703, a4 = 0.5300, t = T/104 | ||||
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βH = αH ⋅ (2πmekBTR/h2)3/2exp(−E2s/kTR) | ||||
KH ≡ λLyα3/(8πH(z)), λLyα = 121.5682 nm | ||||
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H02H_02 | H + γ → H+ + e− | kion = CH ⋅ βH ⋅ exp(−E2s1s/kTM); | 1 | |
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H03H_03 | H + e− → H− + γ | dex[−17.845 + 0.762logT | T ≤ 6000 K | 2 |
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dex[−16.4199 + 0.1998(logT)2 | T > 6000 K | |||
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H04H_04 | H− + γ → H + e− | ![]() |
3 | |
H05H_05 | H− + H → H2 + e− | 1.5 × 10−9 | T < 300.0 | 3 |
4.0 × 10−9T−0.17 | T ≥ 300.0 | |||
H06H_06 | H− + H+ → H + H | ![]() |
4 | |
H07H_07 | H + H+ → H2+ + γ | dex[−19.38 − 1.523logT | 5 | |
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H08H_08 | H2+ + γ → H + H+ | ![]() |
v = 0 | 3 |
1.63 × 107exp(−32400.0/TR) | LTE | |||
H09H_09 | H + H2+ → H2 + H+ | 6.4 × 10−10 | 6 | |
H10H_10 | H2 + H+ → H2+ + H | [ − 3.3232183 × 10−7 | 7 | |
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H11H_11 | H+ + H− → H2+ + e− | 6.9 × 10−9T−0.35 | T ≤ 8000 K | 8 |
9.6 × 10−7T−0.90 | T > 8000 K | |||
H12H_12 | H2+ + e− → H + H | 4.2278 × 10−14 − 2.3088 × 10−17T + 7.3428 × 10−21T2 | ||
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9 | |||
H13H_13 | H2+ + H2 → H3+ + H | 2.0 × 10−9 | 10 | |
H14H_14 | H2 + γ → H2+ + e− | ![]() |
3 | |
H15H_15 | H2 + γ → H + H | ![]() |
TR < 15000 | 11 |
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TR ≥ 15000 | |||
H16H_16 | H3+ + H → H2+ + H2 | 7.7 × 10−9exp(−17560.0/TM) | 3 | |
H17H_17 | H3+ + e− → H2 + H | ![]() |
3 | |
H18H_18 | H2 + H+ → H3+ + γ | 10−16 | 3 | |
H19H_19 | H2 + H → H + H + H | ![]() |
v=0 | 12 |
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LTE | 13 | ||
H20H_20 | H + e− → H+ + e− + e− | exp[−3.271396786 × 101 | 14 | |
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H21H_21 | H3+ + γ → H2 + H+ | ![]() |
15 | |
H22H_22 | H3+ + e− → 3 H | the same as for blueH_17 | ||
H23H_23 | H + e− → H+ + 2e− | ![]() |
16 | |
H24H_24 | H+ + H + H → H+ + H2 | 1.145 × 10−29T−1.12 | 17 | |
H25H_25 | H + H + H → H2 + H | 1.14 × 10−31T−0.38 | T < 300 K | 18 |
3.9 × 10−30T−1 | T ≥ 300 K | |||
H26H_26 | H2+ + γ → 2H+ + e− | ![]() |
3 | |
H27H_27 | H2 + e− → H− + H | ![]() |
19 | |
H28H_28 | H2 + e− → H + H + e− | ![]() |
v = 0 | 20 |
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LTE | 20 | ||
H29H_29 | H2 + H2 → H2 + H + H | ![]() |
v = 0 | 21 |
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LTE | 22 | ||
H30H_30 | H2 + He → H + H + He | ![]() |
v = 0 | 23 |
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LTE | 23 | ||
H31H_31 | H− + e− → H + e− + e− | exp[−1.801849334 × 101 | 14 | |
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H32H_32 | H− + H → H + H + e− | ![]() |
TeV ≤ 0.1 eV | 14 |
exp[−2.0372609 × 101 | TeV > 0.1 eV | |||
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H33H_33 | H− + H2+ → H2 + H | ![]() |
24 | |
H34H_34 | H− + H2+ → H + H + H | ![]() |
24 | |
H35H_35 | H + H + H2 → H2 + H2 | 0.143 × 10−31T−0.38 | T < 300 K | 18 |
0.486 × 10−30T−1 | T ≥ 300 K | 18 | ||
H36H_36 | H + H + He → H2 + He | 6.9 × 10−32T−0.4 | 25 | |
H37H_37 | H2+ + H → 2H + H+ | exp(−32.912+6.9498×10−5T−3.3248×104/T | 9 | |
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H38H_38 | H2 + H+ → 2H + H+ | exp(−33.404+2.0148×10−4T−5.2674×104/T | 9 | |
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H39H_39 | H3+ + H2 → H3+ + 2H | ![]() |
26 | |
H40H_40 | H3+ + e− → H2+ + H + e− | ![]() |
16 | |
H41H_41 | H2+ + e− → H+ + H + e− | ![]() |
16 | |
H42H_42 | H + H → H + H+ + e− | ![]() |
27 | |
H43H_43 | H+ + H + H → H3+ + H | 1.238 × 10−29T−1.046 | 17 | |
H44H_44 | H3+ + H− → H2 + H2 | ![]() |
28 | |
He01He_01 | He+ + e− → He + γ | krec = CHeI ⋅ αHeI; | 1 | |
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He02He_02 | He + γ → He+ + e− | kion = CHeI ⋅ βHeIexp(−E2s1s/kBTM); | 1 | |
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He03He_03 | He + H+ → HeH+ + γ | ![]() |
29 | |
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He04He_04 | HeH+ + H → He + H2+ | ![]() |
30 | |
He05He_05 | HeH+ + γ → He + H+ | ![]() |
31 | |
He06He_06 | He+ + +e− → He+ + γ | ![]() |
Case A | 32 |
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Case B | 32 | ||
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He07He_07 | He+ + γ → He+ + +e− | ![]() |
3 | |
He08He_08 | He + H+ → He+ + H | ![]() |
T ≤ 10000 K | 33 |
4.0 × 10−37T4.74 | T > 10000 K | |||
He09He_09 | He+ + H → He + H+ | ![]() |
34 | |
He10He_10 | He + H2+ → HeH+ + H | ![]() |
35 | |
He11He_11 | He+ + H → HeH+ + γ | ![]() |
59 | |
He12He_12 | HeH+ + e− → He + H | 3.0 × 10−8T−0.5 | 28 | |
He13He_13 | HeH+ + H2 → H3+ + He | 1.80 × 10−9 | 28 | |
He14He_14 | HeH+ + γ → He+ + H | ![]() |
31 | |
He15He_15 | He + e− → He+ + 2e− | exp[−4.409864886 × 101 | 14 | |
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He16He_16 | He+ + e− → He+ + +2e− | exp[−6.87104099 × 101 | 14 | |
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He17He_17 | He+ + H− → He + H | ![]() |
36 | |
He18He_18 | He + H+ + γ → HeH+ + 2γ | ![]() |
35 | |
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He19He_19 | H2 + He+ → He + H + H+ | 10−13 ⋅ (−0.4732142857+0.0369047619⋅T | T < 78 K | 37 |
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10−13 ⋅ (1.623809524−0.1587301587⋅10−2⋅T) | 78 K ≤ T < 330 K | |||
10−13 ⋅ (0.111111524+0.1555555413⋅10−2⋅T | T ≥ 330 K | |||
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He20He_20 | H2 + He+ → H2+ + He | 7.2 × 10−15 | 38 | |
He21He_21 | He + H− → He + H + e− | ![]() |
39 | |
He22He_22 | He+ + H2 → He+ + 2H | ![]() |
26 | |
D01D_01 | D+ + e− → D + γ | the same as for blueH_01 | ||
D02D_02 | D + γ → D+ + e− | the same as for blueH_02 | ||
D03D_03 | D + H+ → H + D+ | ![]() |
T ≤ 2 ⋅ 105 K | 40 |
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3.44 × 10−10T0.35 | T > 2 ⋅ 105 K | |||
D04D_04 | H + D+ → D + H+ | ![]() |
40 | |
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D05D_05 | H2 + D+ → HD + H+ | [0.417+0.846logT−0.137(logT)2] × 10−9 | 41 | |
D06D_06 | HD + H+ → H2 + D+ | ![]() |
41 | |
D07D_07 | H + D → HD + γ | 10−25[2.80202 − 6.63697lnT | T ≤ 200 K | 42 |
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10−25exp[507.207 − 370.889lnT | T > 200 K | |||
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D08D_08 | H2 + D → HD + H | dex[−56.4737+5.88886logT | T ≤ 2000 K | 43 |
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T > 2000 K | |||
D09D_09 | HD+ + H → HD + H+ | the same as for blueH_09 | ||
D10D_10 | HD + H → H2 + D | ![]() |
T ≤ 200 K | 44 |
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T > 200 K | |||
D11D_11 | D + H+ → HD+ + γ | ![]() |
45 | |
D12D_12 | H + D+ → HD+ + γ | ![]() |
45 | |
D13D_13 | HD+ + γ → H + D+ | the same as for blueH_08 | ||
D14D_14 | HD+ + e− → H + D | 7.2 × 10−8T−0.5 | 46 | |
D15D_15 | HD+ + H2 → H2D+ + H | the same as for blueH_13 | ||
D16D_16 | D + H3+ → H2D+ + H | ![]() |
28 | |
D17D_17 | H2D+ + e− → 2H + D | ![]() |
47 | |
D18D_18 | H2D+ + e− → H2 + D | ![]() |
47 | |
D19D_19 | H2D+ + e− → HD + H | ![]() |
47 | |
D20D_20 | H2D+ + H → H3+ + D | ![]() |
58 | |
D21D_21 | HD+ + H → H2+ + D | ![]() |
48 | |
D22D_22 | D + H− → HD + e− | 7.5 × 10−10 | T < 300 | 49 |
2.0 × 10−9T−0.17 | T ≥ 300 | 49 | ||
D23D_23 | H + D− → HD + e− | 7.5 × 10−10 | T < 300 | 49 |
2.0 × 10−9T−0.17 | T ≥ 300 | 49 | ||
D24D_24 | HD + H+ → H2+ + D | ![]() |
50 | |
D25D_25 | HD+ + H → H2 + D+ | 1.0 × 10−9 | 50 | |
D26D_26 | HD+ + γ → H+ + D | the same as for blueH_08 | ||
D27D_27 | H2+ + D → HD+ + H | ![]() |
51 | |
D28D_28 | D + e− → D− + γ | dex[−17.845 + 0.762logT | T ≤ 6000 K | 2 |
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dex[−16.4199 + 0.1998(logT)2 | T > 6000 K | |||
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D29D_29 | H + D− → D + H− | ![]() |
48 | |
D30D_30 | D + H− → H + D− | ![]() |
48 | |
D31D_31 | D + D− → D2 + e− | the same as for blueH_05 | ||
D32D_32 | H+ + D− → HD+ + e− | ![]() |
45 | |
D33D_33 | D+ + H− → HD+ + e− | ![]() |
45 | |
D34D_34 | D+ + D− → D2+ + e− | ![]() |
45 | |
D35D_35 | H+ + D− → D + H | ![]() |
52 | |
D36D_36 | D + D+ → D2+ + γ | ![]() |
45 | |
D37D_37 | D + H2+ → H2 + D+ | the same as for blueH_09 | ||
D38D_38 | H2+ + D → HD + H+ | 1.0 × 10−9 | 50 | |
D39D_39 | HD+ + D → D2+ + H | 1.0 × 10−9 | 53 | |
D40D_40 | HD+ + D → D2 + H+ | 1.0 × 10−9 | 50 | |
D41D_41 | H + D2+ → D2 + H+ | the same as for blueH_09 | ||
D42D_42 | D2+ + H → HD+ + D | ![]() |
53 | |
D43D_43 | D2+ + H → HD + D+ | 1.0 × 10−9 | 50 | |
D44D_44 | HD + D+ → D2 + H+ | 1.0 × 10−9 | 53 | |
D45D_45 | D2 + H+ → HD+ + D | ![]() |
54 | |
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D46D_46 | D2 + H+ → D2+ + H | the same as for blueH_10 | 52 | |
D47D_47 | HD + D → D2 + H | ![]() |
44 | |
D48D_48 | D2 + H → HD + D | dex[−86.1558+4.53978logT | T ≤ 2200 K | 43 |
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T > 2200 K | |||
D49D_49 | HD + γ → H + D | ![]() |
55 | |
D50D_50 | D2+ + γ → D + D+ | the same as for blueH_08 | ||
D51D_51 | D2 + γ → D2+ + e− | the same as for blueH_14 | ||
D52D_52 | D2 + γ → D + D | the same as for blueH_15 | ||
D53D_53 | D− + γ → D + e− | the same as for blueH_04 | ||
D54D_54 | HD + H3+ → H2 + H2D+ | 1.0 × 10−9(2.1−0.4⋅log(T)) | 3 | |
D55D_55 | D2 + e− → D + D + e− | ![]() |
v = 0 | 20 |
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LTE | |||
D56D_56 | HD+ + H2 → H3+ + D | the same as for blueH_13 | ||
D57D_57 | H2D+ + H2 → H3+ + HD | ![]() |
T < 100 K | 3 |
5.5 × 10−10 | T ≥ 100 K | |||
D58D_58 | D + e− → D+ + e− + e− | the same as for blueH_20 | 52 | |
D59D_59 | HD + e− → D + H− | ![]() |
56 | |
D60D_60 | HD + e− → H + D− | ![]() |
56 | |
D61D_61 | HD + e− → H + D + e− | ![]() |
v = 0 | 57 |
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LTE | |||
D62D_62 | H2 + D+ → H2+ + D | the same as for blueH_10 | 52 | |
D63D_63 | H2 + D+ → HD+ + H | ![]() |
54 | |
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D64D_64 | HD + H+ → HD+ + H | the same as for blueH_10 | 52 | |
D65D_65 | HD + H → H + D + H | the same as for blueH_19 | 18 | |
D66D_66 | HD + He → H + D + He | the same as for blueH_30 | 18 | |
D67D_67 | HD + He+ → HD+ + He | the same as for blueHe_20 | 52 | |
D68D_68 | HD + He+ → He + H+ + D | ![]() |
49 | |
D69D_69 | HD + He+ → He + H + D+ | ![]() |
49 | |
D70D_70 | HD+ + D → HD + D+ | the same as for blueH_09 | 52 | |
D71D_71 | D2 + e− → D + D− | ![]() |
56 | |
D72D_72 | D− + e− → D + e− + e− | the same as for blueH_31 | 52 | |
D73D_73 | D− + H → D + H + e− | the same as for blueH_32 | 52 | |
D74D_74 | D+ + H− → D + H | the same as for blueH_06 | 52 | |
D75D_75 | D+ + D− → D + D | the same as for blueH_06 | 52 | |
D76D_76 | H2+ + D− → H2 + D | ![]() |
45 | |
D77D_77 | H2+ + D− → H + H + D | ![]() |
45 | |
D78D_78 | HD+ + H− → HD + H | ![]() |
45 | |
D79D_79 | HD+ + H− → D + H + H | ![]() |
45 | |
D80D_80 | HD+ + D− → HD + D | ![]() |
45 | |
D81D_81 | HD+ + D− → D + H + D | ![]() |
45 | |
D82D_82 | D2+ + H− → D2 + H | ![]() |
45 | |
D83D_83 | D2+ + H− → D + D + H | ![]() |
45 | |
D84D_84 | D2+ + D− → D2 + D | ![]() |
45 | |
D85D_85 | D2+ + D− → D + D + D | ![]() |
45 | |
D86D_86 | D + D2+ → D2 + D+ | the same as for blueH_09 | 52 | |
D87D_87 | HD + D+ → HD+ + D | the same as for blueH_10 | 52 | |
D88D_88 | HD + D+ → D2+ + H | ![]() |
54 | |
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D89D_89 | D2 + H+ → HD + D+ | ![]() |
53 | |
D90D_90 | D2 + D+ → D2+ + D | the same as for blueH_10 | 52 | |
D91D_91 | HD + H2 → H + D + H2 | the same as for blueH_29 but with ncr → 100ncr | 18 | |
D92D_92 | D2 + H → D + D + H | the same as for blueH_19 | 52 | |
D93D_93 | D2 + H2 → D + D + H2 | the same as for blueH_29 | 52 | |
D94D_94 | He + D+ → D + He+ | ![]() |
T ≤ 10000 K | 45 |
5.9 × 10−37T4.74 | T > 10000 K | |||
D95D_95 | He+ + D → D+ + He | ![]() |
45 | |
D96D_96 | D− + He → D + He + e− | ![]() |
45 | |
D97D_97 | He+ + D− → He + D | ![]() |
45 | |
D98D_98 | D2 + He+ → D2+ + He | 2.5 × 10−14 | 53 | |
D99D_99 | D2 + He+ → He + D+ + D | ![]() |
53 | |
D100D_100 | D2 + He → D + D + He | the same as for blueH_30 | 52 |
Notes. T and TeV are the gas temperature in units of K and eV respectively. References are to the primary source of data for each reaction. Reactions with a peak contribution to the synthesis or destruction of any reactant exceeding 0.1 % are bolded.References. 1: Seager et al. (1999), 2: Wishart (1979), 3: Galli & Palla (1998), 4: Croft et al. (1999), 5: Ramaker & Peek (1976), 6: Karpas et al. (1979), 7: Savin et al. (2004), 8: Poulaert et al. (1978), 9: Coppola et al. (2011a), 10: Theard & Huntress (1974), 11: Novosyadlyj et al. (2022), 12: Mac Low & Shull (1986), 13: Lepp & Shull (1983), 14: Janev et al. (1987), 15: this paper: Fit based on cross-section from https://home.strw.leidenuniv.nl/ ewine/photo/, 16: Méndez et al. (2006), 17: Janev et al. (2003), 18: Glover & Abel (2008), 19: Schulz & Asundi (1967), 20: Trevisan & Tennyson (2002a), 21: Martin et al. (1998), 22: Shapiro & Kang (1987), 23: Dove et al. (1987), 24: Dalgarno & Lepp (1987), 25: Walkauskas & Kaufman (1975), 26: Albertsson et al. (2014), 27: Soon (1992), 28: Database of kinetic data of interest for astrochemical (KIDA, kida.astrochem-tools.org), 29: Courtney et al. (2021), 30: De Fazio (2014), 31: Coppola et al. (2017), 32: Ferland et al. (1992), 33: Kimura et al. (1993), 34: Zygelman et al. (1989), 35: Black (1978), 36: Peart & Hayton (1994), 37: this paper: Fit to data from Schauer et al. (1989); Johnsen et al. (1980) 38: Glover & Abel (2008): Barlow S. G., 1984, PhD thesis, Univ. Colorado 39: Huq et al. (1982), 40: Savin (2002), 41: Lindinger et al. (1982), 42: Dickinson (2005), 43: Fit of Glover & Abel (2008) to data from Mielke et al. (2003), 44: Shavitt (1959), 45: Same as corresponding H reaction, but scaled by D reduced mass (see Glover & Abel (2008)), 46: Strömholm et al. (1995), 47: Datz et al. (1995); Larsson et al. (1996), 48: Dalgarno & McDowell (1956), scaled by D reduced mass (see Glover & Abel (2008)), 49: Same as corresponding H reaction, with branching ratio assumed uniform (see Glover & Abel (2008)), 50: estimate from Glover & Abel (2008), 51: Linder et al. (1995), 52: Same as corresponding H reaction (see Glover & Abel (2008)), 53: Walmsley et al. (2004), 54: Fit of Glover & Abel (2008) based on cross-section from Wang & Stancil (2002) 55: Coppola et al. (2011b), 56: Xu & Fabrikant (2001), 57: Trevisan & Tennyson (2002b), 58: Adams & Smith (1985), 59: Stancil et al. (1998).
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