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Merge branch 'tangq/atm/thermal_decomp' into NGD_v3atm (PR #5)
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Modify chemUCI mechanisms to meet thermal decomp reaction requirements

The chemistry pre-processor requires "M" (air mass) on both sides of
thermal decomposition reactions, which is a non-standard format. This
commit changes in all chemUCI mechanism files the reactions of uci7,
uci8, and uci9 for HO2NO2, N2O5, and PAN. The PAN reaction rate (uci9)
has been verified with the ATom data.

This PR greatly improves the chemistry fields needed by new aerosol
features (e.g., nitrate and SOA).

[non-BFB]
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wlin7 committed Sep 16, 2022
2 parents 58a9f67 + ce93188 commit 409e6af
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Showing 5 changed files with 15 additions and 15 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -198,11 +198,11 @@ CHEMISTRY
[HO2NO2f] NO2 + HO2 + M -> HO2NO2 + M ; 1.90e-31, 3.4, 4.00e-12, 0.3, 0.6
[N2O5f] NO2 + NO3 + M -> N2O5 + M ; 2.40E-30, 3.0, 1.60E-12,-0.1, 0.6
[PANf] CH3CO3 + NO2 + M -> PAN + M ; 9.70E-29, 5.6, 9.30E-12, 1.5, 0.6
[uci7] HO2NO2 -> HO2 + NO2 ; 2.10E-27, 10900
[uci7] HO2NO2 + M -> HO2 + NO2 + M ; 2.10E-27, 10900
* k[uci7] -> k[HO2NO2] / k[uci7]
[uci8] N2O5 -> NO2 + NO3 ; 5.80E-27, 10840
[uci8] N2O5 + M -> NO2 + NO3 + M ; 5.80E-27, 10840
* k[uci8] -> k[N2O5] / k[uci8]
[uci9] PAN -> CH3CO3 + NO2 ; 9.00E-29, 14000
[uci9] PAN + M -> CH3CO3 + NO2 + M ; 9.00E-29, 14000
* k[uci9] -> k[PAN] / k[uci9]
[lch3o2_ho2] CH3O2 + HO2 -> CH3OOH + O2 ; 4.100E-13, 750
[lch3o2_no] CH3O2 + NO -> CH2O + HO2 + NO2 ; 2.800E-12, 300
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Original file line number Diff line number Diff line change
Expand Up @@ -197,11 +197,11 @@ CHEMISTRY
[HO2NO2f] NO2 + HO2 + M -> HO2NO2 + M ; 1.90e-31, 3.4, 4.00e-12, 0.3, 0.6
[N2O5f] NO2 + NO3 + M -> N2O5 + M ; 2.40E-30, 3.0, 1.60E-12,-0.1, 0.6
[PANf] CH3CO3 + NO2 + M -> PAN + M ; 9.70E-29, 5.6, 9.30E-12, 1.5, 0.6
[uci7] HO2NO2 -> HO2 + NO2 ; 2.10E-27, 10900
[uci7] HO2NO2 + M -> HO2 + NO2 + M ; 2.10E-27, 10900
* k[uci7] -> k[HO2NO2] / k[uci7]
[uci8] N2O5 -> NO2 + NO3 ; 5.80E-27, 10840
[uci8] N2O5 + M -> NO2 + NO3 + M ; 5.80E-27, 10840
* k[uci8] -> k[N2O5] / k[uci8]
[uci9] PAN -> CH3CO3 + NO2 ; 9.00E-29, 14000
[uci9] PAN + M -> CH3CO3 + NO2 + M ; 9.00E-29, 14000
* k[uci9] -> k[PAN] / k[uci9]
CH3O2 + HO2 -> CH3OOH + O2 ; 4.100E-13, 750
CH3O2 + NO -> CH2O + HO2 + NO2 ; 2.800E-12, 300
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Original file line number Diff line number Diff line change
Expand Up @@ -197,11 +197,11 @@ CHEMISTRY
[HO2NO2f] NO2 + HO2 + M -> HO2NO2 + M ; 1.90e-31, 3.4, 4.00e-12, 0.3, 0.6
[N2O5f] NO2 + NO3 + M -> N2O5 + M ; 2.40E-30, 3.0, 1.60E-12,-0.1, 0.6
[PANf] CH3CO3 + NO2 + M -> PAN + M ; 9.70E-29, 5.6, 9.30E-12, 1.5, 0.6
[uci7] HO2NO2 -> HO2 + NO2 ; 2.10E-27, 10900
[uci7] HO2NO2 + M -> HO2 + NO2 + M ; 2.10E-27, 10900
* k[uci7] -> k[HO2NO2] / k[uci7]
[uci8] N2O5 -> NO2 + NO3 ; 5.80E-27, 10840
[uci8] N2O5 + M -> NO2 + NO3 + M ; 5.80E-27, 10840
* k[uci8] -> k[N2O5] / k[uci8]
[uci9] PAN -> CH3CO3 + NO2 ; 9.00E-29, 14000
[uci9] PAN + M -> CH3CO3 + NO2 + M ; 9.00E-29, 14000
* k[uci9] -> k[PAN] / k[uci9]
[lch3o2_ho2] CH3O2 + HO2 -> CH3OOH + O2 ; 4.100E-13, 750
[lch3o2_no] CH3O2 + NO -> CH2O + HO2 + NO2 ; 2.800E-12, 300
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Original file line number Diff line number Diff line change
Expand Up @@ -202,11 +202,11 @@ CHEMISTRY
[HO2NO2f] NO2 + HO2 + M -> HO2NO2 + M ; 1.90e-31, 3.4, 4.00e-12, 0.3, 0.6
[N2O5f] NO2 + NO3 + M -> N2O5 + M ; 2.40E-30, 3.0, 1.60E-12,-0.1, 0.6
[PANf] CH3CO3 + NO2 + M -> PAN + M ; 9.70E-29, 5.6, 9.30E-12, 1.5, 0.6
[uci7] HO2NO2 -> HO2 + NO2 ; 2.10E-27, 10900
[uci7] HO2NO2 + M -> HO2 + NO2 + M ; 2.10E-27, 10900
* k[uci7] -> k[HO2NO2] / k[uci7]
[uci8] N2O5 -> NO2 + NO3 ; 5.80E-27, 10840
[uci8] N2O5 + M -> NO2 + NO3 + M ; 5.80E-27, 10840
* k[uci8] -> k[N2O5] / k[uci8]
[uci9] PAN -> CH3CO3 + NO2 ; 9.00E-29, 14000
[uci9] PAN + M -> CH3CO3 + NO2 + M ; 9.00E-29, 14000
* k[uci9] -> k[PAN] / k[uci9]
[lch3o2_ho2] CH3O2 + HO2 -> CH3OOH + O2 ; 4.100E-13, 750
[lch3o2_no] CH3O2 + NO -> CH2O + HO2 + NO2 ; 2.800E-12, 300
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Original file line number Diff line number Diff line change
Expand Up @@ -201,11 +201,11 @@ CHEMISTRY
[HO2NO2f] NO2 + HO2 + M -> HO2NO2 + M ; 1.90e-31, 3.4, 4.00e-12, 0.3, 0.6
[N2O5f] NO2 + NO3 + M -> N2O5 + M ; 2.40E-30, 3.0, 1.60E-12,-0.1, 0.6
[PANf] CH3CO3 + NO2 + M -> PAN + M ; 9.70E-29, 5.6, 9.30E-12, 1.5, 0.6
[uci7] HO2NO2 -> HO2 + NO2 ; 2.10E-27, 10900
[uci7] HO2NO2 + M -> HO2 + NO2 + M ; 2.10E-27, 10900
* k[uci7] -> k[HO2NO2] / k[uci7]
[uci8] N2O5 -> NO2 + NO3 ; 5.80E-27, 10840
[uci8] N2O5 + M -> NO2 + NO3 + M ; 5.80E-27, 10840
* k[uci8] -> k[N2O5] / k[uci8]
[uci9] PAN -> CH3CO3 + NO2 ; 9.00E-29, 14000
[uci9] PAN + M -> CH3CO3 + NO2 + M ; 9.00E-29, 14000
* k[uci9] -> k[PAN] / k[uci9]
[lch3o2_ho2] CH3O2 + HO2 -> CH3OOH + O2 ; 4.100E-13, 750
[lch3o2_no] CH3O2 + NO -> CH2O + HO2 + NO2 ; 2.800E-12, 300
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