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Add MO2 + NO3 = NO2 + CH2O + HO2 reaction via KPP #1444

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Nov 3, 2022
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Add MO2 + NO3 = NO2 + CH2O + HO2 reaction via KPP #1444

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6 changes: 6 additions & 0 deletions KPP/custom/custom.eqn
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Original file line number Diff line number Diff line change
Expand Up @@ -84,6 +84,10 @@ Version 13.y.z (actual version TBA) (Dec 2020 onward)
(4) Added sulfur reactions for future development (commented out)
(5) Added aromatic SOA reactions (Bates2021b)

14.1.0
------
(1) Added MO2 + NO3 reaction (IUPAC ROO_19)

===============================================================================
DEVELOPERS (alphabetical order; add your name!)
===============================================================================
Expand Down Expand Up @@ -141,6 +145,7 @@ REFERENCES (alphabetical order)
* Jacobs2014: Jacobs et al., Atmos. Chem. Phys., doi:10.5194/acp-14-8933-2014, 2014.
* Jenkin2015: Jenkin et al., Atmos. Chem. Phys., doi:10.5194/acp-15-11433-2015, 2015.
* Kasibhatla2018: Kasibhatla et al., Atmos. Chem. Phys., doi:10.5194/acp-18-11185-2018, 2018
* IUPAC ROO_19: https://iupac-aeris.ipsl.fr/htdocs/datasheets/pdf/ROO_19_CH3O2_NO3.pdf
* JPL 10-6: JPL Publication 10-6, https://jpldataeval.jpl.nasa.gov/previous_evaluations.html, 2011.
* JPL 15-10: JPL Publication 15-10, https://jpldataeval.jpl.nasa.gov, 2015.
* Kwon2020: Kwon et al, Elementa, https://doi.org/10.1525/elementa.2021.00109, 2020.
Expand Down Expand Up @@ -1472,6 +1477,7 @@ TRO2 + HO2 = HO2 + LTRO2H : GCARR_abc(1.40d-12, 0.0d0, 700.0d0)
TRO2 + NO = NO + LTRO2N : GCARR_abc(2.60d-12, 0.0d0, 350.0d0); {2021/09/29; Bates2021b; KHB,MSL}
XRO2 + HO2 = HO2 + LXRO2H : GCARR_abc(1.40d-12, 0.0d0, 700.0d0); {2021/09/29; Bates2021b; KHB,MSL}
XRO2 + NO = NO + LXRO2N : GCARR_abc(2.60d-12, 0.0d0, 350.0d0); {2021/09/29; Bates2021b; KHB,MSL}
MO2 + NO3 = NO2 + CH2O + HO2 : 1.20d-12; {2022/10/18: IUPAC ROO_19; KHB,BMY}
//
// %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
// %%%%% Heterogeneous chemistry reactions %%%%%
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6 changes: 6 additions & 0 deletions KPP/fullchem/fullchem.eqn
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Original file line number Diff line number Diff line change
Expand Up @@ -84,6 +84,10 @@ Version 13.y.z (actual version TBA) (Dec 2020 onward)
(4) Added sulfur reactions for future development (commented out)
(5) Added aromatic SOA reactions (Bates2021b)

14.1.0
------
(1) Added MO2 + NO3 reaction (IUPAC ROO_19)

===============================================================================
DEVELOPERS (alphabetical order; add your name!)
===============================================================================
Expand Down Expand Up @@ -141,6 +145,7 @@ REFERENCES (alphabetical order)
* Jacobs2014: Jacobs et al., Atmos. Chem. Phys., doi:10.5194/acp-14-8933-2014, 2014.
* Jenkin2015: Jenkin et al., Atmos. Chem. Phys., doi:10.5194/acp-15-11433-2015, 2015.
* Kasibhatla2018: Kasibhatla et al., Atmos. Chem. Phys., doi:10.5194/acp-18-11185-2018, 2018
* IUPAC ROO_19: https://iupac-aeris.ipsl.fr/htdocs/datasheets/pdf/ROO_19_CH3O2_NO3.pdf
* JPL 10-6: JPL Publication 10-6, https://jpldataeval.jpl.nasa.gov/previous_evaluations.html, 2011.
* JPL 15-10: JPL Publication 15-10, https://jpldataeval.jpl.nasa.gov, 2015.
* Kwon2020: Kwon et al, Elementa, https://doi.org/10.1525/elementa.2021.00109, 2020.
Expand Down Expand Up @@ -1472,6 +1477,7 @@ TRO2 + HO2 = HO2 + LTRO2H : GCARR_abc(1.40d-12, 0.0d0, 700.0d0)
TRO2 + NO = NO + LTRO2N : GCARR_abc(2.60d-12, 0.0d0, 350.0d0); {2021/09/29; Bates2021b; KHB,MSL}
XRO2 + HO2 = HO2 + LXRO2H : GCARR_abc(1.40d-12, 0.0d0, 700.0d0); {2021/09/29; Bates2021b; KHB,MSL}
XRO2 + NO = NO + LXRO2N : GCARR_abc(2.60d-12, 0.0d0, 350.0d0); {2021/09/29; Bates2021b; KHB,MSL}
MO2 + NO3 = NO2 + CH2O + HO2 : 1.20d-12; {2022/10/18: IUPAC ROO_19; KHB,BMY}
//
// %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
// %%%%% Heterogeneous chemistry reactions %%%%%
Expand Down
2 changes: 1 addition & 1 deletion KPP/fullchem/gckpp.map
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Expand Up @@ -41,7 +41,7 @@ REORDER - ON
! NFIX - Number of Fixed species
INTEGER, PARAMETER :: NFIX = 4
! NREACT - Number of reactions
INTEGER, PARAMETER :: NREACT = 913
INTEGER, PARAMETER :: NREACT = 914
! NVARST - Starting of variables in conc. vect.
INTEGER, PARAMETER :: NVARST = 1
! NFIXST - Starting of fixed in conc. vect.
Expand Down
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