GEOSChemGasPhase
GEOS-Chem fullchem gas-phase mechanism (~819 reactions, ~272 species). Migrated from GasChem.jl GEOSChemGasPhase via mtk2esm with sub-system rate-law inlining.
Description
GEOS-Chem fullchem gas-phase mechanism (~819 reactions, ~272 species). Migrated from GasChem.jl GEOSChemGasPhase via mtk2esm with sub-system rate-law inlining.
Reference
_source_ref: GasChem.jl src/geoschem_fullchem.jl GEOS-Chem fullchem gas-phase mechanism (~819 reactions, ~272 species). Migrated from GasChem.jl GEOSChemGasPhase via mtk2esm with sub-system rate-law inlining.
Post-process workarounds applied (mdl-ode):
- 64 max(expr, 0.0) rate clamps were rewritten to (a + abs(a))/2 by scripts/migrations/rewrite_max_in_esm.py because EarthSciASTCatalystExt._esm_to_symbolic does not accept the max op. File a follow-on bead in EarthSciAST to add max/min support and drop this stop-gap (same lifecycle as scripts/migrations/post_process_geoschem_fullchem.py).
Inline tests (mdl-ode): 3 pinned reference states (clean troposphere / polluted urban / upper troposphere) with expected species values from upstream GasChem.GEOSChemGasPhase via mtkcompile + Rosenbrock23. Generator: scripts/migrations/reference_values_geoschem_fullchem.jl. Cross-implementation tolerance rel=1e-3 (loose enough to absorb solver-tolerance and Catalyst path divergence between rxn_sys=false and the migrated flat ReactionSystem; tight enough to catch translation bugs). Reference timing on the workspace machine: GasChem build (rxn_sys=false, ODE-model path) = 1138 s, mtkcompile = 65.6 s, peak RSS during build ~8.2 GiB — inside the bead’s combined 60-min / 32-GiB budget. The migration kept num_density (mol/m³) but not P; tests override num_density = P / (R_GAS · T) per state to maintain (T, P) consistency with the bead-pinned states._
Parameters
| Name | Units | Default | Description |
|---|---|---|---|
j_33 | 0 | ||
j_152 | 0 | ||
j_91 | 0 | ||
j_92 | 0 | ||
j_129 | 0 | ||
k_cld2 | 0 | ||
j_148 | 0 | ||
j_85 | 0 | ||
j_30 | 0 | ||
j_46 | 0 | ||
j_93 | 0 | ||
j_63 | 0 | ||
j_26 | 0 | ||
j_77 | 0 | ||
j_94 | 0 | ||
j_155 | 0 | ||
j_120 | 0 | ||
j_42 | 0 | ||
j_147 | 0 | ||
j_70 | 0 | ||
j_134 | 0 | ||
k_mt6 | 0 | ||
j_7 | 0 | ||
j_41 | 0 | ||
j_115 | 0 | ||
j_27 | 0 | ||
j_128 | 0 | ||
k_cld1 | 0 | ||
j_11 | 0 | ||
j_114 | 0 | ||
j_79 | 0 | ||
j_119 | 0 | ||
j_105 | 0 | ||
j_146 | 0 | ||
j_61 | 0 | ||
j_18 | 0 | ||
j_109 | 0 | ||
j_113 | 0 | ||
num_density_inv | 602214076000000000 | ||
j_131 | 0 | ||
T | 298.15 | ||
j_81 | 0 | ||
j_10 | 0 | ||
j_23 | 0 | ||
j_47 | 0 | ||
j_137 | 0 | ||
j_16 | 0 | ||
j_25 | 0 | ||
j_100 | 0 | ||
j_138 | 0 | ||
j_74 | 0 | ||
j_72 | 0 | ||
j_106 | 0 | ||
j_28 | 0 | ||
j_29 | 0 | ||
j_118 | 0 | ||
j_51 | 0 | ||
j_104 | 0 | ||
j_127 | 0 | ||
j_39 | 0 | ||
j_135 | 0 | ||
j_123 | 0 | ||
j_96 | 0 | ||
j_122 | 0 | ||
j_89 | 0 | ||
j_22 | 0 | ||
j_44 | 0 | ||
j_164 | 0 | ||
j_97 | 0 | ||
j_31 | 0 | ||
j_99 | 0 | ||
j_38 | 0 | ||
j_20 | 0 | ||
j_76 | 0 | ||
j_69 | 0 | ||
j_83 | 0 | ||
j_157 | 0 | ||
j_86 | 0 | ||
j_75 | 0 | ||
j_159 | 0 | ||
j_65 | 0 | ||
k_mt1 | 0 | ||
j_139 | 0 | ||
j_166 | 0 | ||
j_59 | 0 | ||
j_32 | 0 | ||
j_17 | 0 | ||
j_149 | 0 | ||
j_154 | 0 | ||
j_21 | 0 | ||
j_88 | 0 | ||
j_153 | 0 | ||
j_160 | 0 | ||
j_108 | 0 | ||
j_1 | 0 | ||
j_133 | 0 | ||
k_mt2 | 0 | ||
num_density | 44.834554813693856 | ||
j_64 | 0 | ||
j_43 | 0 | ||
j_80 | 0 | ||
k_mt5 | 0 | ||
j_107 | 0 | ||
j_73 | 0 | ||
j_111 | 0 | ||
j_117 | 0 | ||
j_132 | 0 | ||
j_103 | 0 | ||
j_45 | 0 | ||
j_71 | 0 | ||
j_121 | 0 | ||
k_mt3 | 0 | ||
j_158 | 0 | ||
j_141 | 0 | ||
j_24 | 0 | ||
j_34 | 0 | ||
j_62 | 0 | ||
j_49 | 0 | ||
j_140 | 0 | ||
j_95 | 0 | ||
k_cld3 | 0 | ||
j_56 | 0 | ||
j_78 | 0 | ||
j_66 | 0 | ||
j_9 | 0 | ||
j_110 | 0 | ||
j_6 | 0 | ||
j_143 | 0 | ||
j_165 | 0 | ||
j_90 | 0 | ||
j_130 | 0 | ||
j_101 | 0 | ||
j_15 | 0 | ||
j_13 | 0 | ||
k_cld4 | 0 | ||
j_68 | 0 | ||
j_87 | 0 | ||
j_163 | 0 | ||
j_161 | 0 | ||
j_145 | 0 | ||
k_cld6 | 0 | ||
j_53 | 0 | ||
j_150 | 0 | ||
j_156 | 0 | ||
j_54 | 0 | ||
j_37 | 0 | ||
j_112 | 0 | ||
j_3 | 0 | ||
k_mt4 | 0 | ||
j_8 | 0 | ||
j_14 | 0 | ||
j_82 | 0 | ||
j_12 | 0 | ||
j_98 | 0 | ||
j_50 | 0 | ||
j_116 | 0 | ||
j_124 | 0 | ||
j_151 | 0 | ||
j_126 | 0 | ||
j_162 | 0 | ||
j_40 | 0 | ||
j_136 | 0 | ||
j_144 | 0 | ||
k_cld5 | 0 | ||
j_55 | 0 | ||
j_2 | 0 | ||
j_48 | 0 | ||
j_36 | 0 | ||
j_125 | 0 | ||
j_19 | 0 | ||
j_142 | 0 | ||
j_84 | 0 |
Species
| Species | Units | Default | Constant | Description |
|---|---|---|---|---|
RIPB | 0 | |||
MVKOHOO | 0 | |||
IHN4 | 0 | |||
CFC113 | 0 | |||
LTRO2H | 0 | |||
IDHNDOO1 | 0 | |||
HCFC123 | 0 | |||
CH2I2 | 0 | |||
N2O5 | 4e-06 | |||
IBr | 0 | |||
XRO2 | 0 | |||
CHCl3 | 0 | |||
SALCCL | 0 | |||
MONITA | 0 | |||
ETP | 0 | |||
NO | 0.0004 | |||
PYAC | 0 | |||
CH4 | 1800 | |||
C2H6 | 0 | |||
CHBr3 | 0 | |||
C2H2 | 0 | |||
ETNO3 | 0 | |||
HONIT | 0 | |||
IO | 0 | |||
RB3P | 0 | |||
HOI | 0 | |||
ISOP | 0 | |||
C4HVP1 | 0 | |||
HPETHNL | 0 | |||
ETOO | 0 | |||
O1D | 1e-06 | |||
RIPD | 0 | |||
MACR | 0 | |||
LISOPNO3 | 0 | |||
PRN1 | 0 | |||
H1211 | 0 | |||
PRPN | 0 | |||
BrO | 0 | |||
Br | 0 | |||
C2H4 | 0 | |||
MENO3 | 0 | |||
PAN | 0 | |||
IEPOXAOO | 0 | |||
H | 0 | |||
MCRENOL | 0 | |||
R4N1 | 0 | |||
HMHP | 0 | |||
IEPOXD | 0 | |||
NRO2 | 0 | |||
B3O2 | 0 | |||
HO2 | 4e-06 | |||
OH | 4e-06 | |||
CFC115 | 0 | |||
HI | 0 | |||
RA3P | 0 | |||
MONITU | 0 | |||
IDC | 0 | |||
LBRO2N | 0 | |||
INA | 0 | |||
H2O2 | 4e-06 | |||
CH2O | 4e-06 | |||
CH2Br2 | 0 | |||
ClOO | 0 | |||
MTPA | 0 | |||
BALD | 0 | |||
MO2 | 4e-06 | |||
IHPOO2 | 0 | |||
MACR1OO | 0 | |||
CH2OO | 0 | |||
HCFC22 | 0 | |||
BENZO | 0 | |||
MVKN | 0 | |||
CH2ICl | 0 | |||
I2 | 0 | |||
CSL | 0 | |||
CH3CCl3 | 0 | |||
I2O3 | 0 | |||
ICl | 0 | |||
HBr | 0 | |||
Cl2 | 0 | |||
XYLE | 0 | |||
PPN | 0 | |||
HNO2 | 4e-06 | |||
BZCO3 | 0 | |||
SO4 | 0 | |||
N2O | 300 | |||
IHN2 | 0 | |||
LIMO | 0 | |||
HCFC141b | 0 | |||
MTPO | 0 | |||
PHEN | 0 | |||
RIPC | 0 | |||
OTHRO2 | 0 | |||
ITCN | 0 | |||
TOLU | 0 | |||
A3O2 | 0 | |||
HPALD4 | 0 | |||
ICHOO | 0 | |||
ETHP | 0 | |||
BZCO3H | 0 | |||
LXRO2H | 0 | |||
H2O | 18400000 | |||
AROMRO2 | 0 | |||
MGLY | 0 | |||
MAP | 0 | |||
LXRO2N | 0 | |||
KO2 | 0 | |||
LTRO2N | 0 | |||
Cl2O2 | 0 | |||
NPRNO3 | 0 | |||
IPRNO3 | 0 | |||
HNO3 | 4e-06 | |||
MCROHOO | 0 | |||
LNRO2N | 0 | |||
BRO2 | 0 | |||
ALK4 | 0 | |||
R4N2 | 0 | |||
INO2B | 0 | |||
C4HVP2 | 0 | |||
PIO2 | 0 | |||
O3 | 20 | |||
BENZP | 0 | |||
HPALD1 | 0 | |||
N | 4e-11 | |||
LIMO2 | 0 | |||
IDHNDOO2 | 0 | |||
O2 | 210000000 | yes | ||
CO | 100 | |||
ICHE | 0 | |||
IDHNBOO | 0 | |||
I2O2 | 0 | |||
MCRDH | 0 | |||
HCFC142b | 0 | |||
PIP | 0 | |||
BrCl | 0 | |||
HCOOH | 0 | |||
NIT | 0 | |||
GLYX | 0 | |||
HOCl | 0 | |||
ICPDH | 0 | |||
SALAAL | 1e-09 | Held at 1e-9 rather than 0 as a denominator guard (mdl-79g): reaction R1’s rate is k_mt1/SALAAL, so a 0 initial value makes the first RHS evaluation 0/0 and the whole RHS non-finite. SALAAL is also R1’s own substrate, so the division cancels the mass-action factor and the term reduces to k_mt1O3SO2 – the singularity is removable and any positive value collapses it. The value is inert here: SALAAL is produced by no reaction and consumed only through k_mt1..k_mt3, all of which default to 0. 1e-9 matches the seed the analyses in this file already use. Remove this default once the substrate-detection heuristic drop (mdl-79g) lands on EarthSciAST main and R1’s division is gone. | ||
LNRO2H | 0 | |||
RCO3 | 0 | |||
HMS | 1e-06 | |||
ClNO3 | 0 | |||
PP | 0 | |||
NITs | 0 | |||
H1301 | 0 | |||
ACTA | 0 | |||
NAP | 0 | |||
IHPNBOO | 0 | |||
IHPNDOO | 0 | |||
ICNOO | 0 | |||
HMML | 0 | |||
IHPOO3 | 0 | |||
CO2 | 355000 | |||
I2O4 | 0 | |||
IEPOXA | 0 | |||
MVKHP | 0 | |||
CH3CHOO | 0 | |||
ROH | 0 | |||
PRPE | 0 | |||
MPN | 0 | |||
IHOO1 | 0 | |||
ICN | 0 | |||
LBRO2H | 0 | |||
IHN1 | 0 | |||
EOH | 0 | |||
HPALD2 | 0 | |||
MCRHNB | 0 | |||
MACRNO2 | 0 | |||
OClO | 0 | |||
HPALD1OO | 0 | |||
LVOC | 0 | |||
HC5A | 0 | |||
RIPA | 0 | |||
IHPOO1 | 0 | |||
MACR1OOH | 0 | |||
ALD2 | 0 | |||
CH3Cl | 0 | |||
IDHDP | 0 | |||
MSA | 0 | |||
ATO2 | 0 | |||
H2402 | 0 | |||
HPALD3 | 0 | |||
ATOOH | 0 | |||
IDN | 0 | |||
OLND | 0 | |||
NPHEN | 0 | |||
C3H8 | 0 | |||
MCO3 | 0 | |||
MONITS | 0 | |||
DMS | 0 | |||
OIO | 0 | |||
HNO4 | 4e-06 | |||
ClO | 0 | |||
IONITA | 0 | |||
ITHN | 0 | |||
SO4s | 0 | |||
OCS | 9e-06 | |||
IONO2 | 0 | |||
ETHLN | 0 | |||
RCHO | 0 | |||
MCRHP | 0 | |||
O | 0 | |||
CFC114 | 0 | |||
MVK | 0 | |||
INO2D | 0 | |||
BZPAN | 0 | |||
HPALD2OO | 0 | |||
Br2 | 0 | |||
IDHPE | 0 | |||
CCl4 | 0 | |||
IHN3 | 0 | |||
MVKHC | 0 | |||
IDNOO | 0 | |||
SALACL | 0 | |||
MOH | 0 | |||
Cl | 0 | |||
CH3I | 1e-11 | |||
MEK | 0 | |||
IEPOXBOO | 0 | |||
ETO | 0 | |||
MCT | 0 | |||
CH2IBr | 0 | |||
IEPOXB | 0 | |||
MCRHN | 0 | |||
MVKHCB | 0 | |||
MVKPC | 0 | |||
INPD | 0 | |||
ACET | 0 | |||
MPAN | 0 | |||
INDIOL | 0 | |||
HAC | 0 | |||
CFC12 | 0 | |||
ETHN | 0 | |||
BENZO2 | 0 | |||
CH3Br | 0 | |||
MVKDH | 0 | |||
TRO2 | 0 | |||
INPB | 0 | |||
OLNN | 0 | |||
SO2 | 1e-09 | Held at 1e-9 rather than 0 as a denominator guard (mdl-79g): reaction R12’s rate is k_cld6/SO2, so a 0 initial value makes the first RHS evaluation 0/0 and the whole RHS non-finite. SO2 is also R12’s own substrate, so the division cancels the mass-action factor and the singularity is removable – any positive value collapses the term. Unlike the SALAAL/SALCAL guards this value is NOT inert: SO2 has live chemistry under default parameters (R167 SO2+OH, and R344/R348 with the Criegee intermediates), so it is kept as small as the guard allows rather than at a physically suggestive level. 1e-9 matches the seed the analyses in this file already use. Remove this default once the substrate-detection heuristic drop (mdl-79g) lands on EarthSciAST main and R12’s division is gone. | ||
PO2 | 0 | |||
BrNO2 | 0 | |||
ISOPNOO1 | 0.03 | |||
H2 | 500 | yes | ||
R4P | 0 | |||
N2 | 781000000 | yes | ||
RP | 0 | |||
MP | 4e-06 | |||
CH2Cl2 | 0 | |||
GLYC | 0 | |||
LISOPOH | 0 | |||
ISOPNOO2 | 0 | |||
AROMP5 | 0 | |||
BrNO3 | 0 | |||
CFC11 | 0 | |||
HCl | 0 | |||
NO2 | 0.0004 | |||
ETO2 | 0 | |||
R4O2 | 0 | |||
ClNO2 | 0 | |||
BENZ | 0 | |||
IONO | 0 | |||
RCOOH | 0 | |||
I | 0 | |||
IHOO4 | 0 | |||
PROPNN | 0 | |||
HOBr | 0 | |||
IDCHP | 0 | |||
NO3 | 4e-06 | |||
AROMP4 | 0 | |||
SALCAL | 1e-09 | Held at 1e-9 rather than 0 as a denominator guard (mdl-79g): reaction R4’s rate is k_mt4/SALCAL, so a 0 initial value makes the first RHS evaluation 0/0 and the whole RHS non-finite. SALCAL is also R4’s own substrate, so the division cancels the mass-action factor and the term reduces to k_mt4O3SO2 – the singularity is removable and any positive value collapses it. The value is inert here: SALCAL is produced by no reaction and consumed only through k_mt4..k_mt6, all of which default to 0. 1e-9 matches the seed the analyses in this file already use. Remove this default once the substrate-detection heuristic drop (mdl-79g) lands on EarthSciAST main and R4’s division is gone. | ||
INO | 0 |
Expression Templates
arrhenius_M
Parameters: A, B
arrhenius
Parameters: A, B
scaled_M
Parameters: A
troe_clamp_arr_M
Parameters: A, B, Fc, M0
arrhenius_M_div_lin
Parameters: A, B, C
jpl_pdep_long
Parameters: A, Fc, k0_300, n0, ninf
arrhenius_clamp_M_lin_exp0
Parameters: A, B, C
troe_clamp_jpl_alt
Parameters: A, Fc, B
troe_M2_arr
Parameters: A, n_inf, k0_300, n_0
arrhenius_clamp_lin
Parameters: B, C
Reactions
| ID | Substrates | Products | Rate | |
|---|---|---|---|---|
R1 | SALAAL + O3 + SO2 | → | SO4 | $$\frac{k_{mt1}}{SALAAL}$$ |
R2 | SALAAL + HCl | → | SALACL | $$k_{mt2}$$ |
R3 | SALAAL + HNO3 | → | NIT | $$k_{mt3}$$ |
R4 | O3 + SO2 + SALCAL | → | SO4s | $$\frac{k_{mt4}}{SALCAL}$$ |
R5 | HCl + SALCAL | → | SALCCL | $$k_{mt5}$$ |
R6 | HNO3 + SALCAL | → | NITs | $$k_{mt6}$$ |
R7 | SO2 + H2O2 | → | SO4 | $$k_{cld1}$$ |
R8 | O3 + SO2 | → | SO4 | $$k_{cld2}$$ |
R9 | SO2 | → | SO4 | $$k_{cld3}$$ |
R10 | SO2 + CH2O | → | HMS | $$k_{cld4}$$ |
R11 | HMS | → | SO2 + CH2O | $$k_{cld5}$$ |
R12 | SO2 + HMS + OH | → | 2 SO4 + CH2O | $$\frac{k_{cld6}}{SO2}$$ |
R13 | NO + O3 | → | NO2 + O2 | $$\mathrm{arrhenius_M}\left(A=0.0018066422280000002, B=-1500.0\right)$$ |
R14 | O3 + OH | → | HO2 + O2 | $$\mathrm{arrhenius_M}\left(A=0.0010237639292000002, B=-940.0\right)$$ |
R15 | O3 + HO2 | → | OH + 2 O2 | $$\mathrm{arrhenius_M}\left(A=6.022140760000001 \times 10^{-6}, B=-490.0\right)$$ |
R16 | O3 + NO2 | → | NO3 + O2 | $$\mathrm{arrhenius_M}\left(A=7.226568912 \times 10^{-5}, B=-2450.0\right)$$ |
R17 | O3 + MO2 | → | HO2 + CH2O + O2 | $$\mathrm{arrhenius_M}\left(A=1.7464208204 \times 10^{-7}, B=-1000.0\right)$$ |
R18 | 2 OH | → | H2O + O | $$\mathrm{scaled_M}\left(A=0.0010839853368\right)$$ |
R19 | 2 OH | → | H2O2 | $$\frac{0.07507099121983447 \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(\frac{1.24658313732 \times 10^{-16} \cdot num_{density}}{2.6 \times 10^{-17} \cdot T}\right)^{2}}} \cdot e^{0.0} \cdot num_{density}^{2}}{T \cdot \left(1.0 + \frac{1.24658313732 \times 10^{-16} \cdot num_{density}}{2.6 \times 10^{-17} \cdot T}\right)}$$ |
R20 | HO2 + OH | → | H2O + O2 | $$\mathrm{arrhenius_M}\left(A=0.028906275648000003, B=250.0\right)$$ |
R21 | H2O2 + OH | → | H2O + HO2 | $$\mathrm{scaled_M}\left(A=0.0010839853368\right)$$ |
R22 | NO + HO2 | → | NO2 + OH | $$\mathrm{arrhenius_M}\left(A=0.0019873064508, B=270.0\right)$$ |
R23 | 2 HO2 | → | H2O2 + O2 | $$602214076.0 \cdot \left(1.2646495595999998 \times 10^{-15} \cdot e^{\frac{920.0}{T}} \cdot num_{density} + 3 \times 10^{-13} \cdot e^{\frac{460.0}{T}}\right) \cdot \left(1.0 + 8.430997064 \times 10^{-13} \cdot H2O \cdot num_{density} \cdot e^{\frac{2200.0}{T}}\right) \cdot num_{density}$$ |
R24 | CO + OH | → | HO2 + CO2 | $$\frac{0.0006419113741985848 \cdot e^{0} \cdot num_{density}^{2} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(\frac{1.06591891452 \times 10^{-18} \cdot \frac{300}{T}^{1.3} \cdot num_{density}}{1.1 \times 10^{-18} \cdot T}\right)^{2}}}}{T \cdot \left(1.0 + \frac{1.06591891452 \times 10^{-18} \cdot \frac{300}{T}^{1.3} \cdot num_{density}}{1.1 \times 10^{-18} \cdot T}\right)} + \frac{9.033211139999998 \times 10^{-5} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(4.301529114285714 \times 10^{-5} \cdot \frac{300}{T}^{6.1} \cdot num_{density}\right)^{2}}} \cdot e^{0} \cdot num_{density}}{1.0 + 4.301529114285714 \times 10^{-5} \cdot \frac{300}{T}^{6.1} \cdot num_{density}}$$ |
R25 | CH4 + OH | → | MO2 + H2O | $$\mathrm{arrhenius_M}\left(A=0.0014754244862, B=-1775.0\right)$$ |
R26 | NO + MO2 | → | NO2 + HO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0016856935529761601, B=300.0\right)$$ |
R27 | NO + MO2 | → | MENO3 | $$\mathrm{arrhenius_M}\left(A=5.0585982384 \times 10^{-7}, B=300.0\right)$$ |
R28 | MO2 + HO2 | → | MP + O2 | $$\mathrm{arrhenius_M}\left(A=0.00024690777116, B=750.0\right)$$ |
R29 | 2 MO2 | → | O2 + MOH + CH2O | $$\frac{5.7210337219999994 \times 10^{-5} \cdot num_{density} \cdot e^{\frac{390.0}{T}}}{1.0 + 26.2 \cdot e^{\frac{-1130.0}{T}}}$$ |
R30 | 2 MO2 | → | 2 HO2 + 2 CH2O | $$\frac{5.721033722 \times 10^{-5} \cdot num_{density} \cdot e^{\frac{390.0}{T}}}{1.0 + 0.04 \cdot e^{\frac{1130.0}{T}}}$$ |
R31 | MO2 + OH | → | 1.74 HO2 + 0.13 MOH + 0.87 CH2O | $$\mathrm{scaled_M}\left(A=0.09635425215999999\right)$$ |
R32 | MP + OH | → | MO2 + H2O | $$\mathrm{arrhenius_M}\left(A=0.00160188944216, B=200.0\right)$$ |
R33 | MP + OH | → | H2O + OH + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0006865240466400001, B=200.0\right)$$ |
R34 | ATOOH + OH | → | H2O + ATO2 | $$\mathrm{arrhenius_M}\left(A=0.00160188944216, B=200.0\right)$$ |
R35 | ATOOH + OH | → | H2O + MGLY + OH | $$\mathrm{arrhenius_M}\left(A=0.00068652404664, B=200.0\right)$$ |
R36 | OH + CH2O | → | CO + H2O + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0033121774180000004, B=125.0\right)$$ |
R37 | NO2 + OH | → | HNO3 | $$\mathrm{jpl_pdep_long}\left(A=0.0006527912279985609, Fc=0.6, k0_{300}=0.03871376202857143, n0=3.0, ninf=3.0\right)$$ |
R38 | HNO3 + OH | → | NO3 + H2O | $$\frac{2.3609282745947946 \times 10^{-7} \cdot num_{density}^{2} \cdot e^{\frac{1335.0}{T}}}{1.0 + \frac{3.9204136347599994 \times 10^{-22} \cdot num_{density} \cdot e^{\frac{1335.0}{T}}}{2.69 \times 10^{-23} \cdot e^{\frac{2199.0}{T}}}} + 1.4513359231599999 \times 10^{-5} \cdot e^{\frac{460.0}{T}} \cdot num_{density}$$ |
R39 | NO + OH | → | HNO2 | $$\frac{0.00025386325533277365 \cdot e^{0.0} \cdot \frac{300}{T}^{2.6} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(0.011709718144444445 \cdot \frac{300}{T}^{2.5} \cdot num_{density}\right)^{2}}} \cdot num_{density}^{2}}{1.0 + 0.011709718144444445 \cdot \frac{300}{T}^{2.5} \cdot num_{density}}$$ |
R40 | HNO2 + OH | → | H2O + NO2 | $$\mathrm{arrhenius_M}\left(A=0.010839853368, B=-390.0\right)$$ |
R41 | NO2 + HO2 | → | HNO4 | $$\mathrm{jpl_pdep_long}\left(A=6.890574073318141 \times 10^{-5}, Fc=0.6, k0_{300}=0.028605168610000002, n0=3.1, ninf=3.4\right)$$ |
R42 | HNO4 | → | NO2 + HO2 | $$\frac{54500373878000.0 \cdot e^{\frac{-10900.0}{T}} \cdot \frac{300}{T}^{3.4} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(0.02868440730421053 \cdot \frac{300}{T}^{3.1} \cdot num_{density}\right)^{2}}} \cdot num_{density}}{1.0 + 0.02868440730421053 \cdot \frac{300}{T}^{3.1} \cdot num_{density}}$$ |
R43 | HNO4 + OH | → | H2O + NO2 + O2 | $$\mathrm{arrhenius_M}\left(A=0.0007828782987999999, B=380.0\right)$$ |
R44 | NO3 + HO2 | → | NO2 + OH + O2 | $$\mathrm{scaled_M}\left(A=0.002107749266\right)$$ |
R45 | NO + NO3 | → | 2 NO2 | $$\mathrm{arrhenius_M}\left(A=0.00903321114, B=170.0\right)$$ |
R46 | NO3 + OH | → | NO2 + HO2 | $$\mathrm{scaled_M}\left(A=0.013248709672000002\right)$$ |
R47 | NO3 + NO2 | → | N2O5 | $$\mathrm{jpl_pdep_long}\left(A=0.0008703883039980811, Fc=0.6, k0_{300}=0.9033211139999999, n0=3.1, ninf=3.0\right)$$ |
R48 | N2O5 | → | NO3 + NO2 | $$\frac{249316627464000.0 \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(0.9033211139999999 \cdot \frac{300}{T}^{3.1} \cdot num_{density}\right)^{2}}} \cdot e^{\frac{-10840.0}{T}} \cdot \frac{300}{T}^{3.0} \cdot num_{density}}{1.0 + 0.9033211139999999 \cdot \frac{300}{T}^{3.1} \cdot num_{density}}$$ |
R49 | HCOOH + OH | → | H2O + HO2 + CO2 | $$\mathrm{scaled_M}\left(A=0.0002408856304\right)$$ |
R50 | OH + MOH | → | HO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0017464208204000002, B=-345.0\right)$$ |
R51 | NO3 + NO2 | → | NO + NO2 + O2 | $$\mathrm{arrhenius_M}\left(A=2.709963342 \times 10^{-5}, B=-1260.0\right)$$ |
R52 | NO3 + CH2O | → | CO + HNO3 + HO2 | $$\mathrm{scaled_M}\left(A=3.4928416408 \times 10^{-7}\right)$$ |
R53 | ALD2 + OH | → | 0.05 CO + 0.95 MCO3 + H2O + 0.05 HO2 + 0.05 CH2O | $$\mathrm{arrhenius_M}\left(A=0.0027882511718800005, B=350.0\right)$$ |
R54 | ALD2 + NO3 | → | MCO3 + HNO3 | $$\mathrm{arrhenius_M}\left(A=0.0008430997064000001, B=-1900.0\right)$$ |
R55 | MCO3 + NO2 | → | PAN | $$\mathrm{troe_M2_arr}\left(A=0.035178193953255776, n_{inf}=5.6, k0_{300}=6.28115756688172, n_{0}=4.1\right)$$ |
R56 | PAN | → | MCO3 + NO2 | $$\frac{0.035178193953255776 \cdot e^{0} \cdot \frac{300}{T}^{5.6} \cdot num_{density} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(6.28115756688172 \cdot \frac{300}{T}^{4.1} \cdot num_{density}\right)^{2}}}}{5.6005909068 \times 10^{-20} \cdot e^{\frac{14000.0}{T}} \cdot \left(1.0 + 6.28115756688172 \cdot \frac{300}{T}^{4.1} \cdot num_{density}\right)}$$ |
R57 | NO + MCO3 | → | MO2 + NO2 + CO2 | $$\mathrm{arrhenius_M}\left(A=0.0048779340156, B=270.0\right)$$ |
R58 | C2H6 + OH | → | H2O + ETO2 | $$\mathrm{arrhenius_M}\left(A=0.00461295982216, B=-1020.0\right)$$ |
R59 | NO + ETO2 | → | ALD2 + NO2 + HO2 | $$0.0015657565975999998 \cdot e^{\frac{365.0}{T}} \cdot \left(1.0 + \frac{\left(-0.000812987610463907\right) \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.000812987610463907 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot num_{density}}{\left(1.0 + \frac{0.000812987610463907 \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.000812987610463907 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{0.000812987610463907 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}}\right) \cdot \left(1.0 + \frac{0.000812987610463907 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)}\right) \cdot num_{density}$$ |
R60 | NO + ETO2 | → | ETNO3 | $$\frac{1.272940714850921 \times 10^{-6} \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.000812987610463907 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot e^{\frac{365.0}{T}} \cdot num_{density}^{2}}{\left(1.0 + \frac{0.000812987610463907 \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.000812987610463907 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{0.000812987610463907 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}}\right) \cdot \left(1.0 + \frac{0.000812987610463907 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)}$$ |
R61 | NO + OTHRO2 | → | ALD2 + NO2 + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0015657565976, B=365.0\right)$$ |
R62 | C3H8 + OH | → | B3O2 | $$\frac{0.0045768269776 \cdot num_{density} \cdot e^{\frac{-585.0}{T}}}{1.0 + 5.87 \cdot \frac{300}{T}^{0.64} \cdot e^{\frac{-816.0}{T}}}$$ |
R63 | C3H8 + OH | → | A3O2 | $$\frac{0.0045768269776 \cdot num_{density} \cdot e^{\frac{-585.0}{T}}}{1.0 + \frac{0.16999999999999998 \cdot e^{\frac{816.0}{T}}}{\frac{300}{T}^{0.64}}}$$ |
R64 | A3O2 + NO | → | RCHO + NO2 + HO2 | $$0.0017464208204000002 \cdot e^{\frac{350.0}{T}} \cdot \left(1.0 + \frac{\left(-0.002144616162546836\right) \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot num_{density}}{\left(1.0 + \frac{0.002144616162546836 \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}}\right) \cdot \left(1.0 + \frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)}\right) \cdot num_{density}$$ |
R65 | A3O2 + NO | → | NPRNO3 | $$\frac{3.745402318038145 \times 10^{-6} \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot e^{\frac{350.0}{T}} \cdot num_{density}^{2}}{\left(1.0 + \frac{0.002144616162546836 \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}}\right) \cdot \left(1.0 + \frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)}$$ |
R66 | NO + PO2 | → | ALD2 + NO2 + HO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0016259780051999999, B=350.0\right)$$ |
R67 | ALK4 + OH | → | R4O2 | $$\mathrm{arrhenius_M}\left(A=0.0054801480916, B=-405.0\right)$$ |
R68 | NO + R4O2 | → | 0.05 A3O2 + 0.32 ACET + 0.19 MEK + 0.19 MO2 + 0.32 ALD2 + 0.14 RCHO + NO2 + 0.18 B3O2 + 0.27 HO2 + 0.32 OTHRO2 | $$0.0016259780051999999 \cdot \left(1.0 + \frac{\left(-0.00918857248849498\right) \cdot num_{density} \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.00918857248849498 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}}}{\left(1.0 + \frac{0.00918857248849498 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right) \cdot \left(1.0 + \frac{0.00918857248849498 \cdot num_{density} \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.00918857248849498 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}}}{1.0 + \frac{0.00918857248849498 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}}\right)}\right) \cdot e^{\frac{350.0}{T}} \cdot num_{density}$$ |
R69 | NO + R4O2 | → | R4N2 | $$\frac{1.4940416765478667 \times 10^{-5} \cdot e^{\frac{350.0}{T}} \cdot num_{density}^{2} \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.00918857248849498 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}}}{\left(1.0 + \frac{0.00918857248849498 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right) \cdot \left(1.0 + \frac{0.00918857248849498 \cdot num_{density} \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.00918857248849498 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}}}{1.0 + \frac{0.00918857248849498 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}}\right)}$$ |
R70 | NO + R4N1 | → | 0.57 RCHO + 0.86 ALD2 + 2 NO2 + 0.57 CH2O | $$\mathrm{arrhenius_M}\left(A=0.0016259780051999999, B=350.0\right)$$ |
R71 | NO + ATO2 | → | MCO3 + NO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0016861994128000001, B=300.0\right)$$ |
R72 | KO2 + NO | → | 0.93 MCO3 + 0.93 ALD2 + 0.93 NO2 + 0.07 R4N2 | $$\mathrm{arrhenius_M}\left(A=0.0016259780052, B=350.0\right)$$ |
R73 | NO + B3O2 | → | ACET + NO2 + HO2 | $$\frac{3.487098709897583 \times 10^{-6} \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot num_{density}^{2} \cdot e^{\frac{360.0}{T}}}{\left(1.0 + \frac{0.002144616162546836 \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}}\right) \cdot \left(1.0 + \frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)}$$ |
R74 | NO + B3O2 | → | IPRNO3 | $$\frac{3.487098709897583 \times 10^{-6} \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot num_{density}^{2} \cdot e^{\frac{360.0}{T}}}{\left(1.0 + \frac{0.002144616162546836 \cdot 0.411^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}}\right) \cdot \left(1.0 + \frac{0.002144616162546836 \cdot num_{density}}{0.826 \cdot e^{0.0} \cdot \frac{300}{T}^{8.1}}\right)}$$ |
R75 | NO + PRN1 | → | ALD2 + 2 NO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0016259780051999999, B=350.0\right)$$ |
R76 | NO3 + ALK4 | → | HNO3 + R4O2 | $$\mathrm{arrhenius_M}\left(A=0.0016861994128000003, B=-3280.0\right)$$ |
R77 | R4N2 + OH | → | R4N1 + H2O | $$\mathrm{scaled_M}\left(A=0.0009635425216\right)$$ |
R78 | ACTA + OH | → | MO2 + H2O + CO2 | $$\mathrm{arrhenius_M}\left(A=1.8969743393999998 \times 10^{-5}, B=920.0\right)$$ |
R79 | RCHO + OH | → | H2O + RCO3 | $$\mathrm{arrhenius_M}\left(A=0.0036132844560000004, B=410.0\right)$$ |
R80 | RCO3 + NO2 | → | PPN | $$\mathrm{jpl_pdep_long}\left(A=0.3263956139992804, Fc=0.6, k0_{300}=70.38865823376624, n0=8.700000000000001, ninf=8.9\right)$$ |
R81 | PPN | → | RCO3 + NO2 | $$\frac{0.32639561399928035 \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(70.38865823376624 \cdot \frac{300}{T}^{8.700000000000001} \cdot num_{density}\right)^{2}}} \cdot e^{0} \cdot \frac{300}{T}^{8.9} \cdot num_{density}}{5.4199266840000004 \times 10^{-20} \cdot e^{\frac{14000.0}{T}} \cdot \left(1.0 + 70.38865823376624 \cdot \frac{300}{T}^{8.700000000000001} \cdot num_{density}\right)}$$ |
R82 | NO + RCO3 | → | 0.07 A3O2 + NO2 + 0.27 B3O2 + 0.5 OTHRO2 | $$\mathrm{arrhenius_M}\left(A=0.0040348343092, B=340.0\right)$$ |
R83 | RCHO + NO3 | → | HNO3 + RCO3 | $$\mathrm{scaled_M}\left(A=3.914391494 \times 10^{-6}\right)$$ |
R84 | ACET + OH | → | H2O + ATO2 | $$602214076.0 \cdot \left(1.33 \times 10^{-13} + 3.82 \times 10^{-11} \cdot e^{\frac{-2000.0}{T}}\right) \cdot num_{density}$$ |
R85 | A3O2 + MO2 | → | 0.75 RCHO + 0.25 ROH + HO2 + 0.75 CH2O + 0.25 MOH | $$\mathrm{scaled_M}\left(A=0.00035651073299200004\right)$$ |
R86 | MO2 + PO2 | → | 0.25 MOH + 0.5 ALD2 + 0.09 RCHO + 0.25 ROH + HO2 + 1.25 CH2O + 0.16 HAC | $$\mathrm{scaled_M}\left(A=0.00035651073299200004\right)$$ |
R87 | R4O2 + HO2 | → | R4P | $$\mathrm{arrhenius_M}\left(A=0.00044563841624, B=700.0\right)$$ |
R88 | R4N1 + HO2 | → | R4N2 | $$\mathrm{arrhenius_M}\left(A=0.00044563841624, B=700.0\right)$$ |
R89 | ATO2 + HO2 | → | 0.15 MCO3 + 0.85 ATOOH + 0.15 OH + 0.15 CH2O | $$\mathrm{arrhenius_M}\left(A=0.0005179041053599999, B=700.0\right)$$ |
R90 | KO2 + HO2 | → | 0.15 MCO3 + 0.15 ALD2 + 0.85 ATOOH + 0.15 OH | $$\mathrm{arrhenius_M}\left(A=0.00010947316677326401, B=1300.0\right)$$ |
R91 | B3O2 + HO2 | → | RB3P | $$\mathrm{arrhenius_M}\left(A=9.121369947416518 \times 10^{-5}, B=1300.0\right)$$ |
R92 | HO2 + PRN1 | → | PRPN | $$\mathrm{arrhenius_M}\left(A=9.121369947416518 \times 10^{-5}, B=1300.0\right)$$ |
R93 | MEK + OH | → | KO2 + H2O | $$\mathrm{arrhenius_M}\left(A=0.0007828782987999999, B=-25.0\right)$$ |
R94 | MO2 + ETO2 | → | 0.25 EOH + 0.75 ALD2 + HO2 + 0.75 CH2O + 0.25 MOH | $$\mathrm{scaled_M}\left(A=0.0001806642228\right)$$ |
R95 | MO2 + OTHRO2 | → | 0.25 EOH + 0.75 ALD2 + HO2 + 0.75 CH2O + 0.25 MOH | $$\mathrm{scaled_M}\left(A=0.0001806642228\right)$$ |
R96 | MEK + NO3 | → | KO2 + HNO3 | $$\mathrm{scaled_M}\left(A=4.817712608 \times 10^{-7}\right)$$ |
R97 | MO2 + R4O2 | → | 0.09 MO2 + 0.07 RCHO + 0.16 ALD2 + 0.25 MOH + 0.35 MEK + 0.09 B3O2 + 0.64 HO2 + 0.16 OTHRO2 + 0.03 A3O2 + 0.16 ACET + 0.25 ROH + 0.75 CH2O | $$\mathrm{scaled_M}\left(A=5.04053181612 \times 10^{-5}\right)$$ |
R98 | MO2 + R4N1 | → | 0.38 ALD2 + 0.54 RCHO + 0.25 ROH + 0.15 R4O2 + NO2 + 0.5 HO2 + 0.95 CH2O + 0.25 MOH | $$\mathrm{scaled_M}\left(A=5.04053181612 \times 10^{-5}\right)$$ |
R99 | MO2 + ATO2 | → | 0.5 MOH + 0.3 MCO3 + 0.5 MGLY + 0.3 HO2 + 0.5 CH2O + 0.2 HAC | $$\mathrm{arrhenius_M}\left(A=0.00045166055700000005, B=500.0\right)$$ |
R100 | KO2 + MO2 | → | 0.5 MCO3 + 0.5 ALD2 + 0.25 MEK + 0.25 ROH + 0.5 HO2 + 0.75 CH2O + 0.25 MOH | $$\mathrm{scaled_M}\left(A=5.04053181612 \times 10^{-5}\right)$$ |
R101 | MO2 + B3O2 | → | 0.75 ACET + 0.25 ROH + HO2 + 0.75 CH2O + 0.25 MOH | $$\mathrm{scaled_M}\left(A=5.04053181612 \times 10^{-5}\right)$$ |
R102 | MO2 + PRN1 | → | 0.5 ALD2 + 0.25 RCHO + 0.25 ROH + NO2 + 0.5 HO2 + 1.25 CH2O + 0.25 MOH | $$\mathrm{scaled_M}\left(A=5.04053181612 \times 10^{-5}\right)$$ |
R103 | EOH + OH | → | ALD2 + HO2 | $$\mathrm{scaled_M}\left(A=0.0020174171546\right)$$ |
R104 | ROH + OH | → | RCHO + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0027701847496, B=70.0\right)$$ |
R105 | 2 ETO2 | → | 2 ALD2 + 2 HO2 | $$\mathrm{scaled_M}\left(A=2.4690777116 \times 10^{-5}\right)$$ |
R106 | 2 OTHRO2 | → | 2 ALD2 + 2 HO2 | $$\mathrm{scaled_M}\left(A=2.4690777116 \times 10^{-5}\right)$$ |
R107 | 2 ETO2 | → | EOH + ALD2 | $$\mathrm{scaled_M}\left(A=1.6259780051999998 \times 10^{-5}\right)$$ |
R108 | 2 OTHRO2 | → | EOH + ALD2 | $$\mathrm{scaled_M}\left(A=1.6259780051999998 \times 10^{-5}\right)$$ |
R109 | ETO2 + HO2 | → | ETP | $$\mathrm{arrhenius_M}\left(A=0.00044563841624, B=700.0\right)$$ |
R110 | HO2 + OTHRO2 | → | ETP | $$\mathrm{arrhenius_M}\left(A=0.00044563841624, B=700.0\right)$$ |
R111 | A3O2 + HO2 | → | RA3P | $$\mathrm{arrhenius_M}\left(A=9.121369947416518 \times 10^{-5}, B=1300.0\right)$$ |
R112 | PO2 + HO2 | → | PP | $$\mathrm{arrhenius_M}\left(A=9.121369947416518 \times 10^{-5}, B=1300.0\right)$$ |
R113 | RCO3 + HO2 | → | 0.41 RP + 0.15 RCOOH + 0.03 A3O2 + 0.15 O3 + 0.12 B3O2 + 0.44 OH + 0.22 OTHRO2 | $$\mathrm{arrhenius_M}\left(A=0.00025895205268, B=1040.0\right)$$ |
R114 | PRPE + OH | → | PO2 | $$\mathrm{jpl_pdep_long}\left(A=1.6682442493296552, Fc=0.5, k0_{300}=106.54556729230768, n0=2.7, ninf=4.0\right)$$ |
R115 | O3 + PRPE | → | 0.56 CO + 0.1 CH4 + 0.5 ALD2 + 0.12 CH3CHOO + 0.12 CH2OO + 0.28 MO2 + 0.28 HO2 + 0.36 OH + 0.5 CH2O | $$\mathrm{arrhenius_M}\left(A=3.3121774180000003 \times 10^{-6}, B=-1880.0\right)$$ |
R116 | GLYC + OH | → | 0.134 GLYX + 0.505 CO + 0.773 HO2 + 0.361 CO2 + 0.227 OH + 0.732 CH2O + 0.134 HCOOH | $$0.004817712608 \cdot \frac{1.0 + \left(-11.0729\right) \cdot e^{\left(-0.0136986301369863\right) \cdot T} + \left |
R117 | GLYC + OH | → | CO + HCOOH + OH | $$0.004817712608 \cdot num_{density} \cdot \left(1.0 + \left(-1\right) \cdot \frac{1.0 + \left(-11.0729\right) \cdot e^{\left(-0.0136986301369863\right) \cdot T} + \left |
R118 | PRPE + NO3 | → | PRN1 | $$\mathrm{arrhenius_M}\left(A=0.000276416260884, B=-1156.0\right)$$ |
R119 | GLYX + OH | → | 2 CO + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0018668636356000002, B=340.0\right)$$ |
R120 | MGLY + OH | → | CO + MCO3 | $$\mathrm{scaled_M}\left(A=0.00903321114\right)$$ |
R121 | GLYX + NO3 | → | 2 CO + HNO3 + HO2 | $$\frac{0.0008430997064000001 \cdot \left(3.5 \times 10^{18} + 1.26163848922 \times 10^{17} \cdot num_{density}\right) \cdot num_{density} \cdot e^{\frac{-1860.0}{T}}}{3.5 \times 10^{18} + 2.52327697844 \times 10^{17} \cdot num_{density}}$$ |
R122 | NO3 + MGLY | → | CO + MCO3 + HNO3 | $$\mathrm{arrhenius_M}\left(A=0.00202343929536, B=-1860.0\right)$$ |
R123 | OH + HAC | → | MGLY + HO2 | $$0.0012947602634 \cdot e^{\frac{305.0}{T}} \cdot num_{density} \cdot \frac{1.0 + \left(-23.7\right) \cdot e^{\left(-0.016666666666666666\right) \cdot T} + \left |
R124 | OH + HAC | → | 0.5 CO + 0.5 MO2 + 0.5 HCOOH + OH + 0.5 ACTA + 0.5 CO2 | $$0.0012947602634 \cdot e^{\frac{305.0}{T}} \cdot \left(1.0 + \left(-1\right) \cdot \frac{1.0 + \left(-23.7\right) \cdot e^{\left(-0.016666666666666666\right) \cdot T} + \left |
R125 | A3O2 + MCO3 | → | MO2 + RCHO + HO2 | $$\mathrm{arrhenius_M}\left(A=0.00101171964768, B=500.0\right)$$ |
R126 | MCO3 + PO2 | → | MO2 + ALD2 + HO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.00101171964768, B=500.0\right)$$ |
R127 | A3O2 + MCO3 | → | RCHO + ACTA | $$\mathrm{arrhenius_M}\left(A=0.00011261403221200001, B=500.0\right)$$ |
R128 | MCO3 + PO2 | → | 0.35 RCHO + ACTA + 0.65 HAC | $$\mathrm{arrhenius_M}\left(A=0.00011261403221200001, B=500.0\right)$$ |
R129 | MO2 + RCO3 | → | 0.07 A3O2 + 0.27 B3O2 + HO2 + 0.5 OTHRO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.00101171964768, B=500.0\right)$$ |
R130 | MO2 + RCO3 | → | RCOOH + CH2O | $$\mathrm{arrhenius_M}\left(A=0.00011261403221200001, B=500.0\right)$$ |
R131 | PRPN + OH | → | 0.791 PROPNN + 0.791 OH + 0.209 PRN1 | $$\mathrm{arrhenius_M}\left(A=0.0052874395872799995, B=200.0\right)$$ |
R132 | ETP + OH | → | 0.64 ALD2 + 0.64 OH + 0.36 OTHRO2 | $$\mathrm{arrhenius_M}\left(A=0.00311946891368, B=200.0\right)$$ |
R133 | RA3P + OH | → | 0.36 A3O2 + 0.64 RCHO + 0.64 OH | $$\mathrm{arrhenius_M}\left(A=0.0031194689136800004, B=200.0\right)$$ |
R134 | RB3P + OH | → | 0.791 ACET + 0.209 B3O2 + 0.791 OH | $$\mathrm{arrhenius_M}\left(A=0.0052874395872799995, B=200.0\right)$$ |
R135 | R4P + OH | → | 0.791 RCHO + 0.209 R4O2 + 0.791 OH | $$\mathrm{arrhenius_M}\left(A=0.00528743958728, B=200.0\right)$$ |
R136 | RP + OH | → | RCO3 | $$\mathrm{arrhenius_M}\left(A=0.00036915722858800004, B=200.0\right)$$ |
R137 | PP + OH | → | 0.209 PO2 + 0.791 OH + 0.791 HAC | $$\mathrm{arrhenius_M}\left(A=0.00528743958728, B=200.0\right)$$ |
R138 | LVOC + OH | → | OH | $$\mathrm{arrhenius_M}\left(A=0.0290267184632, B=-400.0\right)$$ |
R139 | MAP + OH | → | MCO3 | $$\mathrm{arrhenius_M}\left(A=0.00036915722858800004, B=200.0\right)$$ |
R140 | C2H6 + NO3 | → | HNO3 + ETO2 | $$\mathrm{scaled_M}\left(A=8.430997064 \times 10^{-10}\right)$$ |
R141 | 2 MCO3 | → | 2 MO2 | $$\mathrm{arrhenius_M}\left(A=0.00150553519, B=500.0\right)$$ |
R142 | MCO3 + MO2 | → | MO2 + HO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0010839853368, B=500.0\right)$$ |
R143 | MCO3 + MO2 | → | ACTA + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0001204428152, B=500.0\right)$$ |
R144 | MCO3 + R4O2 | → | 0.05 A3O2 + MO2 + 0.32 ACET + 0.19 MEK + 0.32 ALD2 + 0.13 RCHO + 0.18 B3O2 + 0.27 HO2 + 0.32 OTHRO2 | $$\mathrm{arrhenius_M}\left(A=0.00101171964768, B=500.0\right)$$ |
R145 | MCO3 + ATO2 | → | MO2 + MCO3 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.00101171964768, B=500.0\right)$$ |
R146 | KO2 + MCO3 | → | MO2 + ALD2 + MCO3 | $$\mathrm{arrhenius_M}\left(A=0.00101171964768, B=500.0\right)$$ |
R147 | MCO3 + B3O2 | → | MO2 + ACET + HO2 | $$\mathrm{arrhenius_M}\left(A=0.00101171964768, B=500.0\right)$$ |
R148 | MCO3 + R4N1 | → | MO2 + 0.75 ALD2 + 0.57 RCHO + 0.3 R4O2 + NO2 + 0.39 CH2O | $$\mathrm{arrhenius_M}\left(A=0.00101171964768, B=500.0\right)$$ |
R149 | MCO3 + PRN1 | → | MO2 + ALD2 + NO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.00101171964768, B=500.0\right)$$ |
R150 | MCO3 + R4O2 | → | MEK + ACTA | $$\mathrm{arrhenius_M}\left(A=0.00011261403221200001, B=500.0\right)$$ |
R151 | MCO3 + ATO2 | → | MGLY + ACTA | $$\mathrm{arrhenius_M}\left(A=0.00011261403221200002, B=500.0\right)$$ |
R152 | KO2 + MCO3 | → | MEK + ACTA | $$\mathrm{arrhenius_M}\left(A=0.00011261403221200002, B=500.0\right)$$ |
R153 | MCO3 + R4N1 | → | RCHO + NO2 + ACTA | $$\mathrm{arrhenius_M}\left(A=0.00011261403221200002, B=500.0\right)$$ |
R154 | MCO3 + PRN1 | → | RCHO + NO2 + ACTA | $$\mathrm{arrhenius_M}\left(A=0.00011261403221200001, B=500.0\right)$$ |
R155 | MCO3 + B3O2 | → | ACET + ACTA | $$\mathrm{arrhenius_M}\left(A=0.00011261403221200002, B=500.0\right)$$ |
R156 | MCO3 + ETO2 | → | MO2 + ALD2 + HO2 | $$\mathrm{arrhenius_M}\left(A=0.00101171964768, B=500.0\right)$$ |
R157 | MCO3 + OTHRO2 | → | MO2 + ALD2 + HO2 | $$\mathrm{arrhenius_M}\left(A=0.00101171964768, B=500.0\right)$$ |
R158 | MCO3 + ETO2 | → | ALD2 + ACTA | $$\mathrm{arrhenius_M}\left(A=0.00011261403221200002, B=500.0\right)$$ |
R159 | MCO3 + OTHRO2 | → | ALD2 + ACTA | $$\mathrm{arrhenius_M}\left(A=0.00011261403221200001, B=500.0\right)$$ |
R160 | MCO3 + RCO3 | → | 0.07 A3O2 + MO2 + 0.27 B3O2 + 0.5 OTHRO2 | $$\mathrm{arrhenius_M}\left(A=0.00150553519, B=500.0\right)$$ |
R161 | 2 NO3 | → | 2 NO2 + O2 | $$\mathrm{arrhenius_M}\left(A=0.0005118819646, B=-2450.0\right)$$ |
R162 | MO2 + NO2 | → | MPN | $$\mathrm{jpl_pdep_long}\left(A=0.00036266179333253385, Fc=0.6, k0_{300}=0.08364084388888889, n0=2.6999999999999997, ninf=4.8\right)$$ |
R163 | MPN | → | MO2 + NO2 | $$\frac{6323247798000000.0 \cdot \frac{300}{T}^{4.8} \cdot num_{density} \cdot e^{\frac{-11234.0}{T}} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(0.083420155646438 \cdot \frac{300}{T}^{2.6999999999999997} \cdot num_{density}\right)^{2}}}}{1.0 + 0.083420155646438 \cdot \frac{300}{T}^{2.6999999999999997} \cdot num_{density}}$$ |
R164 | DMS + OH | → | MO2 + SO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.007226568912000001, B=-280.0\right)$$ |
R165 | DMS + OH | → | MO2 + 0.75 SO2 + 0.25 MSA | $$\frac{6.230166947659597 \times 10^{-13} \cdot e^{\frac{5376.0}{T}} \cdot num_{density}^{2}}{1.0 + 2.1997499999999996 \times 10^{-6} \cdot e^{\frac{3644.0}{T}}}$$ |
R166 | DMS + NO3 | → | MO2 + HNO3 + SO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.00011442067444000002, B=530.0\right)$$ |
R167 | SO2 + OH | → | SO4 + HO2 | $$\mathrm{troe_M2_arr}\left(A=0.00011967839179973613, n_{inf}=4.3, k0_{300}=0.124206653175, n_{0}=4.3\right)$$ |
R168 | O3 + Br | → | BrO + O2 | $$\mathrm{arrhenius_M}\left(A=0.009635425216, B=-780.0\right)$$ |
R169 | BrO + HO2 | → | HOBr + O2 | $$\mathrm{arrhenius_M}\left(A=0.002709963342, B=460.0\right)$$ |
R170 | Br + HO2 | → | HBr + O2 | $$\mathrm{arrhenius_M}\left(A=0.0028906275648, B=-310.0\right)$$ |
R171 | HBr + OH | → | Br + H2O | $$\mathrm{arrhenius_M}\left(A=0.0033121774180000004, B=200.0\right)$$ |
R172 | 2 BrO | → | 2 Br + O2 | $$\mathrm{arrhenius_M}\left(A=0.0014453137824, B=40.0\right)$$ |
R173 | 2 BrO | → | Br2 + O2 | $$\mathrm{arrhenius_M}\left(A=1.6861994128000003 \times 10^{-5}, B=860.0\right)$$ |
R174 | BrO + NO | → | Br + NO2 | $$\mathrm{arrhenius_M}\left(A=0.0052994838688000005, B=260.0\right)$$ |
R175 | BrNO3 + Br | → | Br2 + NO3 | $$\mathrm{scaled_M}\left(A=0.029508489724\right)$$ |
R176 | Br2 + OH | → | HOBr + Br | $$\mathrm{arrhenius_M}\left(A=0.012646495595999998, B=240.0\right)$$ |
R177 | HOBr + O | → | BrO + OH | $$\mathrm{arrhenius_M}\left(A=0.07226568912, B=-430.0\right)$$ |
R178 | HBr + O | → | Br + OH | $$\mathrm{arrhenius_M}\left(A=0.0034928416408000003, B=-1500.0\right)$$ |
R179 | BrO + OH | → | Br + HO2 | $$\mathrm{arrhenius_M}\left(A=0.010237639292, B=250.0\right)$$ |
R180 | Br + NO3 | → | BrO + NO2 | $$\mathrm{scaled_M}\left(A=0.009635425216\right)$$ |
R181 | Br + CH2O | → | CO + HO2 + HBr | $$\mathrm{arrhenius_M}\left(A=0.010237639292, B=-800.0\right)$$ |
R182 | Br + ALD2 | → | MCO3 + HBr | $$\mathrm{arrhenius_M}\left(A=0.010839853368, B=-460.0\right)$$ |
R183 | ACET + Br | → | ATO2 + HBr | $$\mathrm{arrhenius_M}\left(A=0.099967536616, B=-7000.0\right)$$ |
R184 | Br + C2H6 | → | ETO2 + HBr | $$\mathrm{arrhenius_M}\left(A=0.142122521936, B=-6411.0\right)$$ |
R185 | C3H8 + Br | → | A3O2 + HBr | $$\mathrm{arrhenius_M}\left(A=0.05281417446520001, B=-4330.0\right)$$ |
R186 | Br + NO2 | → | BrNO2 | $$\frac{0.00015231795319966418 \cdot e^{0.0} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(0.009367774515555555 \cdot \frac{300}{T}^{2.4} \cdot num_{density}\right)^{2}}} \cdot num_{density}^{2} \cdot \frac{300}{T}^{2.4}}{1.0 + 0.009367774515555555 \cdot \frac{300}{T}^{2.4} \cdot num_{density}}$$ |
R187 | BrO + NO2 | → | BrNO3 | $$\mathrm{jpl_pdep_long}\left(A=0.0001958373683995682, Fc=0.6, k0_{300}=0.050030092467692314, n0=0.20000000000000018, ninf=3.1\right)$$ |
R188 | CHBr3 + OH | → | 3 Br | $$\mathrm{arrhenius_M}\left(A=0.0005419926684, B=-360.0\right)$$ |
R189 | OH + CH2Br2 | → | 2 Br | $$\mathrm{arrhenius_M}\left(A=0.001204428152, B=-840.0\right)$$ |
R190 | CH3Br + OH | → | Br + H2O + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0008551439879200001, B=-1150.0\right)$$ |
R191 | H2O + O1D | → | 2 OH | $$\mathrm{arrhenius_M}\left(A=0.098160894388, B=60.0\right)$$ |
R192 | O1D + N2 | → | N2 + O | $$\mathrm{arrhenius_M}\left(A=0.012947602634, B=110.0\right)$$ |
R193 | O1D + O2 | → | O2 + O | $$\mathrm{arrhenius_M}\left(A=0.019873064508000002, B=55.0\right)$$ |
R194 | O1D + H2 | → | OH + H | $$\mathrm{scaled_M}\left(A=0.07226568912\right)$$ |
R195 | N2O + O1D | → | O2 + N2 | $$\mathrm{arrhenius_M}\left(A=0.0278825117188, B=20.0\right)$$ |
R196 | N2O + O1D | → | 2 NO | $$\mathrm{arrhenius_M}\left(A=0.04366052051, B=20.0\right)$$ |
R197 | CH4 + O1D | → | MO2 + OH | $$\mathrm{scaled_M}\left(A=0.07889004395600001\right)$$ |
R198 | CH4 + O1D | → | CH2O + H2 | $$\mathrm{scaled_M}\left(A=0.005419926684000001\right)$$ |
R199 | CH4 + O1D | → | HO2 + CH2O + H | $$\mathrm{scaled_M}\left(A=0.021077492660000002\right)$$ |
R200 | O2 + O | → | O3 | $$3.613284456 \times 10^{-25} \cdot num_{density\,inv} \cdot e^{0} \cdot \frac{300}{T}^{2.4} \cdot num_{density}^{2}$$ |
R201 | O3 + O | → | 2 O2 | $$\mathrm{arrhenius_M}\left(A=0.004817712608, B=-2060.0\right)$$ |
R202 | OH + H2 | → | H2O + H | $$\mathrm{arrhenius_M}\left(A=0.0016861994128000001, B=-1800.0\right)$$ |
R203 | OH + O | → | H + O2 | $$\mathrm{arrhenius_M}\left(A=0.010839853368, B=180.0\right)$$ |
R204 | HO2 + O | → | OH + O2 | $$\mathrm{arrhenius_M}\left(A=0.01806642228, B=200.0\right)$$ |
R205 | O3 + O1D | → | 2 O2 | $$\mathrm{scaled_M}\left(A=0.07226568912\right)$$ |
R206 | O3 + O1D | → | O2 + 2 O | $$\mathrm{scaled_M}\left(A=0.07226568912\right)$$ |
R207 | O + OCS | → | CO + SO2 | $$\mathrm{arrhenius_M}\left(A=0.012646495596, B=-2200.0\right)$$ |
R208 | OH + OCS | → | SO2 + CO2 | $$\mathrm{arrhenius_M}\left(A=6.624354836 \times 10^{-5}, B=-1200.0\right)$$ |
R209 | NO2 + O | → | NO + O2 | $$\mathrm{arrhenius_M}\left(A=0.0030712917876000003, B=210.0\right)$$ |
R210 | NO3 + O | → | NO2 + O2 | $$\mathrm{scaled_M}\left(A=0.006022140759999999\right)$$ |
R211 | NO + O | → | NO2 | $$\frac{3.263956139992805 \times 10^{-5} \cdot e^{0.0} \cdot \frac{300}{T}^{1.5} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(0.001806642228 \cdot \frac{300}{T}^{1.5} \cdot num_{density}\right)^{2}}} \cdot num_{density}^{2}}{1.0 + 0.001806642228 \cdot \frac{300}{T}^{1.5} \cdot num_{density}}$$ |
R212 | NO2 + O | → | NO3 | $$\mathrm{troe_M2_arr}\left(A=9.066544833313345 \times 10^{-5}, n_{inf}=1.8, k0_{300}=0.006843341772727273, n_{0}=1.1\right)$$ |
R213 | H2O2 + O | → | HO2 + OH | $$\mathrm{arrhenius_M}\left(A=0.0008430997064000001, B=-2000.0\right)$$ |
R214 | H + O2 | → | HO2 | $$\mathrm{troe_M2_arr}\left(A=1.5957118906631486 \times 10^{-5}, n_{inf}=1.3, k0_{300}=0.00035329892458666666, n_{0}=1.5\right)$$ |
R215 | O3 + H | → | OH + O2 | $$\mathrm{arrhenius_M}\left(A=0.08430997064000001, B=-470.0\right)$$ |
R216 | HO2 + H | → | 2 OH | $$\mathrm{scaled_M}\left(A=0.04335941347200001\right)$$ |
R217 | HO2 + H | → | H2O + O | $$\mathrm{scaled_M}\left(A=0.0009635425216\right)$$ |
R218 | HO2 + H | → | O2 + H2 | $$\mathrm{scaled_M}\left(A=0.0041552771244000005\right)$$ |
R219 | N + O2 | → | NO + O | $$\mathrm{arrhenius_M}\left(A=0.00903321114, B=-3600.0\right)$$ |
R220 | NO + N | → | O + N2 | $$\mathrm{arrhenius_M}\left(A=0.012646495596, B=100.0\right)$$ |
R221 | N + NO2 | → | N2O + O | $$\mathrm{arrhenius_M}\left(A=0.0034928416408000003, B=220.0\right)$$ |
R222 | BrO + O | → | Br + O2 | $$\mathrm{arrhenius_M}\left(A=0.011442067443999998, B=230.0\right)$$ |
R223 | CH2O + O | → | CO + HO2 + OH | $$\mathrm{arrhenius_M}\left(A=0.020475278584, B=-1600.0\right)$$ |
R224 | HCl + O1D | → | 0.67 Cl + 0.24 ClO + 0.09 HCl + 0.67 OH + 0.24 H + 0.09 O | $$\mathrm{scaled_M}\left(A=0.09033211140000001\right)$$ |
R225 | O1D + HBr | → | 0.15 H + 0.15 BrO + 0.65 Br + 0.2 HBr + 0.65 OH + 0.2 O | $$\mathrm{scaled_M}\left(A=0.09033211140000001\right)$$ |
R226 | O1D + Cl2 | → | 0.75 ClO + 0.25 Cl2 + 0.75 Cl + 0.25 O | $$\mathrm{scaled_M}\left(A=0.16259780052000003\right)$$ |
R227 | CCl4 + O1D | → | 0.86 ClO + 0.14 CCl4 + 2.58 Cl + 0.14 O | $$\mathrm{scaled_M}\left(A=0.19873064508000002\right)$$ |
R228 | CH3Br + O1D | → | 0.44 BrO + MO2 + 0.56 Br | $$\mathrm{scaled_M}\left(A=0.10839853368000002\right)$$ |
R229 | O1D + CH2Br2 | → | 0.95 BrO + 0.95 Br + 0.05 CH2Br2 + 0.05 O | $$\mathrm{scaled_M}\left(A=0.16259780052000003\right)$$ |
R230 | CHBr3 + O1D | → | 0.68 BrO + 0.32 CHBr3 + 1.36 Br + 0.32 O | $$\mathrm{scaled_M}\left(A=0.39746129016000004\right)$$ |
R231 | HCFC22 + O1D | → | 0.28 HCFC22 + 0.55 ClO + 0.17 Cl + 0.28 O | $$\mathrm{scaled_M}\left(A=0.061425835752\right)$$ |
R232 | CFC11 + O1D | → | 0.12 CFC11 + 0.88 ClO + 1.76 Cl + 0.12 O | $$\mathrm{scaled_M}\left(A=0.13850923748\right)$$ |
R233 | O1D + CFC12 | → | 0.86 Cl + 0.86 ClO + 0.14 CFC12 + 0.14 O | $$\mathrm{scaled_M}\left(A=0.08430997064000001\right)$$ |
R234 | O1D + H1211 | → | 0.36 H1211 + 0.31 BrO + 0.33 Br + 0.33 ClO + 0.31 Cl + 0.36 O | $$\mathrm{scaled_M}\left(A=0.09033211140000001\right)$$ |
R235 | H1301 + O1D | → | 0.41 BrO + 0.59 H1301 + 0.59 O | $$\mathrm{scaled_M}\left(A=0.060221407600000006\right)$$ |
R236 | HCFC141b + O1D | → | 0.69 ClO + 0.31 HCFC141b + 0.69 Cl + 0.31 O | $$\mathrm{scaled_M}\left(A=0.15657565976\right)$$ |
R237 | HCFC142b + O1D | → | 0.26 HCFC142b + 0.74 ClO + 0.26 O | $$\mathrm{scaled_M}\left(A=0.12044281520000001\right)$$ |
R238 | O1D + HCFC123 | → | 0.79 ClO + 0.21 HCFC123 + 0.79 Cl + 0.21 O | $$\mathrm{scaled_M}\left(A=0.12044281520000001\right)$$ |
R239 | CFC113 + O1D | → | 0.25 CFC113 + 0.75 ClO + 1.5 Cl + 0.25 O | $$\mathrm{scaled_M}\left(A=0.139713665632\right)$$ |
R240 | CFC114 + O1D | → | 0.25 CFC114 + 0.75 ClO + 0.75 Cl + 0.25 O | $$\mathrm{arrhenius_M}\left(A=0.07828782987999999, B=-25.0\right)$$ |
R241 | O1D + CFC115 | → | 0.7 CFC115 + 0.3 ClO + 0.7 O | $$\mathrm{arrhenius_M}\left(A=0.032519560104, B=-30.0\right)$$ |
R242 | O1D + H2402 | → | 0.75 BrO + 0.75 Br + 0.25 H2402 + 0.25 O | $$0.09635425216 \cdot e^{0.0} \cdot num_{density}$$ |
R243 | OH + Cl2 | → | HOCl + Cl | $$\mathrm{arrhenius_M}\left(A=0.0015657565976, B=-1100.0\right)$$ |
R244 | MO2 + ClO | → | HO2 + CH2O + ClOO | $$\mathrm{arrhenius_M}\left(A=0.010839853368, B=-600.0\right)$$ |
R245 | ClO + OH | → | HO2 + Cl | $$\mathrm{arrhenius_M}\left(A=0.0044563841623999996, B=270.0\right)$$ |
R246 | ClO + OH | → | HCl + O2 | $$\mathrm{arrhenius_M}\left(A=0.0003613284456, B=230.0\right)$$ |
R247 | OClO + OH | → | HOCl + O2 | $$\mathrm{arrhenius_M}\left(A=0.0008430997064000001, B=600.0\right)$$ |
R248 | Cl2O2 + OH | → | HOCl + ClOO | $$\mathrm{arrhenius_M}\left(A=0.0003613284456, B=670.0\right)$$ |
R249 | HCl + OH | → | H2O + Cl | $$\mathrm{arrhenius_M}\left(A=0.0010839853368, B=-250.0\right)$$ |
R250 | HOCl + OH | → | ClO + H2O | $$\mathrm{arrhenius_M}\left(A=0.0018066422280000002, B=-500.0\right)$$ |
R251 | ClNO2 + OH | → | HOCl + NO2 | $$\mathrm{arrhenius_M}\left(A=0.0014453137824, B=-1250.0\right)$$ |
R252 | ClNO3 + OH | → | HOCl + NO3 | $$\mathrm{arrhenius_M}\left(A=0.0007226568912, B=-330.0\right)$$ |
R253 | CH3Cl + OH | → | H2O + HO2 + Cl | $$\mathrm{arrhenius_M}\left(A=0.00118033958896, B=-1200.0\right)$$ |
R254 | CH2Cl2 + OH | → | HO2 + 2 Cl | $$\mathrm{arrhenius_M}\left(A=0.0015717787383600001, B=-944.0\right)$$ |
R255 | CHCl3 + OH | → | HO2 + 3 Cl | $$\mathrm{arrhenius_M}\left(A=0.0028243840164399996, B=-1134.0\right)$$ |
R256 | CH3CCl3 + OH | → | H2O + 3 Cl | $$\mathrm{arrhenius_M}\left(A=0.0009876310846400002, B=-1520.0\right)$$ |
R257 | HCFC22 + OH | → | H2O + Cl | $$\mathrm{arrhenius_M}\left(A=0.0005540369499199999, B=-1560.0\right)$$ |
R258 | HCFC141b + OH | → | H2O + 2 Cl | $$\mathrm{arrhenius_M}\left(A=0.000752767595, B=-1600.0\right)$$ |
R259 | HCFC142b + OH | → | H2O + Cl | $$\mathrm{arrhenius_M}\left(A=0.0007828782988, B=-1770.0\right)$$ |
R260 | OH + HCFC123 | → | H2O + 2 Cl | $$\mathrm{arrhenius_M}\left(A=0.00044563841624, B=-900.0\right)$$ |
R261 | CH4 + Cl | → | MO2 + HCl | $$\mathrm{arrhenius_M}\left(A=0.004275719939600001, B=-1270.0\right)$$ |
R262 | CH2O + Cl | → | CO + HCl + HO2 | $$\mathrm{arrhenius_M}\left(A=0.044082070363200006, B=-30.0\right)$$ |
R263 | O3 + Cl | → | ClO + O2 | $$\mathrm{arrhenius_M}\left(A=0.013850923748000002, B=-200.0\right)$$ |
R264 | Cl + H2 | → | HCl + H | $$\mathrm{arrhenius_M}\left(A=0.018367529318000002, B=-2270.0\right)$$ |
R265 | H2O2 + Cl | → | HCl + HO2 | $$\mathrm{arrhenius_M}\left(A=0.006624354836000001, B=-980.0\right)$$ |
R266 | HO2 + Cl | → | HCl + O2 | $$\mathrm{arrhenius_M}\left(A=0.008430997064, B=270.0\right)$$ |
R267 | HO2 + Cl | → | ClO + OH | $$\mathrm{arrhenius_M}\left(A=0.021679706736, B=-375.0\right)$$ |
R268 | ClO + O | → | Cl + O2 | $$\mathrm{arrhenius_M}\left(A=0.016861994128, B=85.0\right)$$ |
R269 | ClO + HO2 | → | HOCl + O2 | $$\mathrm{arrhenius_M}\left(A=0.0015657565976, B=290.0\right)$$ |
R270 | NO + ClO | → | NO2 + Cl | $$\mathrm{arrhenius_M}\left(A=0.0038541700864, B=290.0\right)$$ |
R271 | ClO + NO2 | → | ClNO3 | $$\mathrm{jpl_pdep_long}\left(A=6.527912279985607 \times 10^{-5}, Fc=0.6, k0_{300}=0.007226568912, n0=1.5, ninf=3.4\right)$$ |
R272 | 2 ClO | → | Cl2 + O2 | $$\mathrm{arrhenius_M}\left(A=0.000602214076, B=-1590.0\right)$$ |
R273 | 2 ClO | → | Cl + ClOO | $$\mathrm{arrhenius_M}\left(A=0.01806642228, B=-2450.0\right)$$ |
R274 | 2 ClO | → | OClO + Cl | $$\mathrm{arrhenius_M}\left(A=0.00021077492660000001, B=-1370.0\right)$$ |
R275 | Cl + O2 | → | ClOO | $$\mathrm{jpl_pdep_long}\left(A=7.978559453315743 \times 10^{-7}, Fc=0.6, k0_{300}=7.360394262222223 \times 10^{-6}, n0=3.1, ninf=3.1\right)$$ |
R276 | ClOO | → | Cl + O2 | $$\frac{7.978559453315744 \times 10^{-7} \cdot e^{0} \cdot \frac{300}{T}^{3.1} \cdot num_{density} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(7.360394262222221 \times 10^{-6} \cdot \frac{300}{T}^{3.1} \cdot num_{density}\right)^{2}}}}{3.9746129016000004 \times 10^{-16} \cdot e^{\frac{2502.0}{T}} \cdot \left(1.0 + 7.360394262222221 \times 10^{-6} \cdot \frac{300}{T}^{3.1} \cdot num_{density}\right)}$$ |
R277 | 2 ClO | → | Cl2O2 | $$\mathrm{jpl_pdep_long}\left(A=6.890574073318143 \times 10^{-6}, Fc=0.6, k0_{300}=0.003092450660540541, n0=2.0, ninf=3.6\right)$$ |
R278 | Cl2O2 | → | 2 ClO | $$\frac{6.890574073318141 \times 10^{-6} \cdot e^{0} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(0.003092450660540541 \cdot \frac{300}{T}^{2.0} \cdot num_{density}\right)^{2}}} \cdot \frac{300}{T}^{3.6} \cdot num_{density}}{1.30078240416 \times 10^{-18} \cdot e^{\frac{8537.0}{T}} \cdot \left(1.0 + 0.003092450660540541 \cdot \frac{300}{T}^{2.0} \cdot num_{density}\right)}$$ |
R279 | Cl + ClOO | → | Cl2 + O2 | $$\mathrm{scaled_M}\left(A=0.13850923748\right)$$ |
R280 | Cl + ClOO | → | 2 ClO | $$\mathrm{scaled_M}\left(A=0.007226568912\right)$$ |
R281 | BrO + ClO | → | Br + OClO | $$\mathrm{arrhenius_M}\left(A=0.0005721033722, B=550.0\right)$$ |
R282 | BrO + ClO | → | Br + ClOO | $$\mathrm{arrhenius_M}\left(A=0.0013850923748, B=260.0\right)$$ |
R283 | BrO + ClO | → | BrCl + O2 | $$\mathrm{arrhenius_M}\left(A=0.00024690777116, B=290.0\right)$$ |
R284 | ClNO3 + O | → | ClO + NO3 | $$\mathrm{arrhenius_M}\left(A=0.0021679706736, B=-840.0\right)$$ |
R285 | ClNO3 + Cl | → | NO3 + Cl2 | $$\mathrm{arrhenius_M}\left(A=0.003914391494, B=135.0\right)$$ |
R286 | CH3Cl + Cl | → | CO + 2 HCl + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0130680454492, B=-1130.0\right)$$ |
R287 | CH2Cl2 + Cl | → | CO + HCl + HO2 + 2 Cl | $$\mathrm{arrhenius_M}\left(A=0.0007467454542399999, B=-1070.0\right)$$ |
R288 | CHCl3 + Cl | → | CO + HCl + HO2 + 3 Cl | $$\mathrm{arrhenius_M}\left(A=0.0022703470665200003, B=-1011.0\right)$$ |
R289 | HCOOH + Cl | → | HCl + H2O + CO2 | $$\mathrm{scaled_M}\left(A=0.0001204428152\right)$$ |
R290 | MO2 + Cl | → | ClO + HO2 + CH2O | $$\mathrm{scaled_M}\left(A=0.09635425215999999\right)$$ |
R291 | MP + Cl | → | MO2 + HCl | $$\mathrm{scaled_M}\left(A=0.034326202332\right)$$ |
R292 | C2H6 + Cl | → | HCl + ETO2 | $$\mathrm{arrhenius_M}\left(A=0.043359413472, B=-70.0\right)$$ |
R293 | ETO2 + Cl | → | ALD2 + ClO + HO2 | $$\mathrm{scaled_M}\left(A=0.044563841624\right)$$ |
R294 | OTHRO2 + Cl | → | ALD2 + ClO + HO2 | $$\mathrm{scaled_M}\left(A=0.044563841624\right)$$ |
R295 | Cl + MOH | → | HCl + HO2 + CH2O | $$\mathrm{scaled_M}\left(A=0.03312177418\right)$$ |
R296 | EOH + Cl | → | ALD2 + HCl | $$\mathrm{scaled_M}\left(A=0.057812551296\right)$$ |
R297 | ACTA + Cl | → | MO2 + HCl + CO2 | $$\mathrm{scaled_M}\left(A=1.6861994128 \times 10^{-5}\right)$$ |
R298 | C3H8 + Cl | → | HCl + B3O2 | $$\mathrm{arrhenius_M}\left(A=0.0393848005704, B=60.0\right)$$ |
R299 | C3H8 + Cl | → | A3O2 + HCl | $$\mathrm{arrhenius_M}\left(A=0.048899782971200005, B=-90.0\right)$$ |
R300 | ACET + Cl | → | HCl + ATO2 | $$\mathrm{arrhenius_M}\left(A=0.046370483852, B=-1000.0\right)$$ |
R301 | ISOP + Cl | → | 0.5 IHOO4 + 0.5 IHOO1 + HCl | $$\mathrm{arrhenius_M}\left(A=0.045768269776, B=500.0\right)$$ |
R302 | ALK4 + Cl | → | HCl + R4O2 | $$\mathrm{scaled_M}\left(A=0.12345388557999999\right)$$ |
R303 | PRPE + Cl | → | PO2 + HCl | $$\frac{0.14506471733301352 \cdot e^{0.0} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(0.8603058228571426 \cdot num_{density}\right)^{2}}} \cdot num_{density}^{2}}{1.0 + 0.8603058228571426 \cdot num_{density}}$$ |
R304 | Br + PRPE | → | PO2 + HBr | $$\mathrm{scaled_M}\left(A=0.0021679706736\right)$$ |
R305 | NO + I | → | INO | $$\frac{0.0019583736839956824 \cdot e^{0.0} \cdot 0.6^{\frac{1.0}{1.0 + \log_{10}\left(\frac{3.2519560104 \times 10^{-18} \cdot num_{density}}{1.77 \times 10^{-17} \cdot T}\right)^{2}}} \cdot num_{density}^{2}}{T \cdot \left(1.0 + \frac{3.2519560104 \times 10^{-18} \cdot num_{density}}{1.77 \times 10^{-17} \cdot T}\right)}$$ |
R306 | 2 INO | → | 2 NO + I2 | $$\mathrm{arrhenius_M}\left(A=0.050585982384, B=-2620.0\right)$$ |
R307 | I + NO2 | → | IONO | $$\frac{0.03263956139992803 \cdot e^{0.0} \cdot 0.63^{\frac{1.0}{1.0 + \log_{10}\left(\frac{5.419926684 \times 10^{-17} \cdot num_{density}}{6.6 \times 10^{-17} \cdot T}\right)^{2}}} \cdot num_{density}^{2}}{T \cdot \left(1.0 + \frac{5.419926684 \times 10^{-17} \cdot num_{density}}{6.6 \times 10^{-17} \cdot T}\right)}$$ |
R308 | IONO | → | I + NO2 | $$\mathrm{arrhenius}\left(A=9.94 \times 10^{17}, B=-11859.0\right)$$ |
R309 | 2 IONO | → | I2 + 2 NO2 | $$\mathrm{arrhenius_M}\left(A=0.017464208204, B=-2600.0\right)$$ |
R310 | I2 + NO3 | → | IONO2 + I | $$\mathrm{scaled_M}\left(A=0.000903321114\right)$$ |
R311 | IO + NO2 | → | IONO2 | $$\mathrm{jpl_pdep_long}\left(A=0.0002719963449994003, Fc=0.6, k0_{300}=0.05942902065789474, n0=2.0, ninf=3.5\right)$$ |
R312 | IONO2 | → | IO + NO2 | $$\mathrm{arrhenius}\left(A=2100000000000000.0, B=-13670.0\right)$$ |
R313 | IONO2 + I | → | I2 + NO3 | $$\mathrm{arrhenius_M}\left(A=0.054801480916000005, B=-146.0\right)$$ |
R314 | BrO + I | → | IO + Br | $$\mathrm{scaled_M}\left(A=0.007226568912\right)$$ |
R315 | BrO + IO | → | I + Br + O2 | $$\mathrm{arrhenius_M}\left(A=0.0018066422280000002, B=510.0\right)$$ |
R316 | BrO + IO | → | Br + OIO | $$\mathrm{arrhenius_M}\left(A=0.007226568912000001, B=510.0\right)$$ |
R317 | IO + OIO | → | I2O3 | $$\mathrm{scaled_M}\left(A=0.060221407600000006\right)$$ |
R318 | 2 OIO | → | I2O4 | $$\mathrm{scaled_M}\left(A=0.09033211140000001\right)$$ |
R319 | I2O4 | → | 2 OIO | $$0.038$$ |
R320 | NO + OIO | → | IO + NO2 | $$\mathrm{arrhenius_M}\left(A=0.0006624354836000001, B=542.0\right)$$ |
R321 | IO + ClO | → | I + OClO | $$\mathrm{arrhenius_M}\left(A=0.0030712917876, B=280.0\right)$$ |
R322 | IO + ClO | → | I + Cl + O2 | $$\mathrm{arrhenius_M}\left(A=0.00169222155356, B=280.0\right)$$ |
R323 | IO + ClO | → | ICl + O2 | $$\mathrm{arrhenius_M}\left(A=0.0006142583575200002, B=280.0\right)$$ |
R324 | I + O3 | → | IO + O2 | $$\mathrm{arrhenius_M}\left(A=0.013850923748000002, B=-870.0\right)$$ |
R325 | I + HO2 | → | O2 + HI | $$\mathrm{arrhenius_M}\left(A=0.00903321114, B=-1090.0\right)$$ |
R326 | I2 + OH | → | HOI + I | $$\mathrm{scaled_M}\left(A=0.10839853368000002\right)$$ |
R327 | OH + HI | → | I + H2O | $$\mathrm{scaled_M}\left(A=0.01806642228\right)$$ |
R328 | HOI + OH | → | IO + H2O | $$\mathrm{scaled_M}\left(A=0.0030110703799999996\right)$$ |
R329 | IO + HO2 | → | HOI + O2 | $$\mathrm{arrhenius_M}\left(A=0.007828782988, B=570.0\right)$$ |
R330 | NO + IO | → | I + NO2 | $$\mathrm{arrhenius_M}\left(A=0.0054801480916, B=240.0\right)$$ |
R331 | 2 IO | → | I + OIO | $$\mathrm{arrhenius_M}\left(A=0.0036132844560000004, B=500.0\right)$$ |
R332 | 2 IO | → | I2O2 | $$\mathrm{arrhenius_M}\left(A=0.005419926684, B=500.0\right)$$ |
R333 | I2O2 | → | 2 IO | $$\mathrm{arrhenius}\left(A=1000000000000.0, B=-9770.0\right)$$ |
R334 | I2O2 | → | I + OIO | $$\mathrm{arrhenius}\left(A=250000000000000.0, B=-9770.0\right)$$ |
R335 | OH + CH3I | → | I + MO2 + H2O | $$\mathrm{arrhenius_M}\left(A=0.0017464208204000002, B=-1100.0\right)$$ |
R336 | OH + ETHLN | → | NO2 + CO2 + CH2O | $$\mathrm{scaled_M}\left(A=0.0014453137824\right)$$ |
R337 | PROPNN + OH | → | NO2 + MGLY | $$\mathrm{scaled_M}\left(A=0.00040348343092000004\right)$$ |
R338 | CO + CH2OO | → | CH2O | $$\mathrm{scaled_M}\left(A=7.226568911999999 \times 10^{-7}\right)$$ |
R339 | NO + CH2OO | → | NO2 + CH2O | $$\mathrm{scaled_M}\left(A=6.022140760000001 \times 10^{-6}\right)$$ |
R340 | CH2OO + NO2 | → | NO3 + CH2O | $$\mathrm{scaled_M}\left(A=6.022140760000001 \times 10^{-7}\right)$$ |
R341 | CH2OO + H2O | → | 0.73 HMHP + 0.06 H2O2 + 0.21 HCOOH + 0.06 CH2O | $$\mathrm{scaled_M}\left(A=1.0237639292 \times 10^{-6}\right)$$ |
R342 | CH2OO + 2 H2O | → | 0.4 HMHP + 0.06 H2O2 + 0.54 HCOOH + 0.06 CH2O | $$1.0444659647976974 \times 10^{-17} \cdot num_{density}^{2} \cdot e^{\frac{1391.0}{T}}$$ |
R343 | O3 + CH2OO | → | CH2O | $$\mathrm{scaled_M}\left(A=0.0008430997064000001\right)$$ |
R344 | CH2OO + SO2 | → | SO4 + CH2O | $$\mathrm{scaled_M}\left(A=0.022281920812\right)$$ |
R345 | CO + CH3CHOO | → | ALD2 | $$\mathrm{scaled_M}\left(A=7.226568911999999 \times 10^{-7}\right)$$ |
R346 | NO + CH3CHOO | → | ALD2 + NO2 | $$\mathrm{scaled_M}\left(A=6.022140760000001 \times 10^{-6}\right)$$ |
R347 | CH3CHOO + NO2 | → | ALD2 + NO3 | $$\mathrm{scaled_M}\left(A=6.022140760000001 \times 10^{-7}\right)$$ |
R348 | CH3CHOO + SO2 | → | ALD2 + SO4 | $$\mathrm{scaled_M}\left(A=4.2154985320000006 \times 10^{-5}\right)$$ |
R349 | CH3CHOO + H2O | → | ALD2 + H2O2 | $$\mathrm{scaled_M}\left(A=3.613284456 \times 10^{-9}\right)$$ |
R350 | CH3CHOO + H2O | → | ACTA | $$\mathrm{scaled_M}\left(A=6.022140760000001 \times 10^{-9}\right)$$ |
R351 | MTPA + OH | → | PIO2 | $$\mathrm{arrhenius_M}\left(A=0.0072867903196000006, B=440.0\right)$$ |
R352 | MTPO + OH | → | PIO2 | $$\mathrm{arrhenius_M}\left(A=0.0072867903196000006, B=440.0\right)$$ |
R353 | PIO2 + NO | → | 0.06 MONITU + 0.11 ACET + 0.43 RCHO + 0.44 MEK + 0.12 MONITS + 0.82 NO2 + 0.82 HO2 + 0.07 HCOOH + 0.23 CH2O | $$\mathrm{scaled_M}\left(A=0.002408856304\right)$$ |
R354 | PIO2 + HO2 | → | PIP | $$\mathrm{scaled_M}\left(A=0.00903321114\right)$$ |
R355 | PIO2 + MO2 | → | 0.75 MEK + 0.75 RCHO + 0.25 ROH + HO2 + 0.75 CH2O + 0.25 MOH | $$\mathrm{arrhenius_M}\left(A=2.14388211056 \times 10^{-5}, B=708.0\right)$$ |
R356 | PIO2 + MCO3 | → | RCOOH + 0.5 MO2 + RCHO + MEK + 0.5 HO2 | $$\mathrm{arrhenius_M}\left(A=0.00044563841624, B=765.0\right)$$ |
R357 | PIO2 + NO3 | → | MEK + RCHO + NO2 + HO2 | $$\mathrm{scaled_M}\left(A=0.0007226568912\right)$$ |
R358 | MTPA + O3 | → | 0.62 KO2 + 0.14 CO + 0.53 MEK + 0.65 RCHO + 0.1 HO2 + 0.02 H2O2 + 0.85 OH | $$\mathrm{arrhenius_M}\left(A=3.0110703800000003 \times 10^{-7}, B=-530.0\right)$$ |
R359 | O3 + MTPO | → | 0.62 KO2 + 0.14 CO + 0.53 MEK + 0.65 RCHO + 0.1 HO2 + 0.02 H2O2 + 0.85 OH | $$\mathrm{arrhenius_M}\left(A=3.0110703800000003 \times 10^{-7}, B=-530.0\right)$$ |
R360 | MTPA + NO3 | → | 0.1 OLNN + 0.9 OLND | $$\mathrm{arrhenius_M}\left(A=0.000501644325308, B=490.0\right)$$ |
R361 | NO3 + MTPO | → | 0.1 OLNN + 0.9 OLND | $$\mathrm{arrhenius_M}\left(A=0.000501644325308, B=490.0\right)$$ |
R362 | LIMO + OH | → | LIMO2 | $$\mathrm{arrhenius_M}\left(A=0.025292991192, B=401.0\right)$$ |
R363 | O3 + LIMO | → | 0.42 KO2 + 0.79 MACR + 0.14 CO + 0.1 HO2 + 0.85 OH + 0.16 OTHRO2 + 0.07 RCOOH + 0.46 PRPE + 0.02 H2O2 + 0.01 HCOOH + 0.04 CH2O | $$\mathrm{arrhenius_M}\left(A=1.7765315242 \times 10^{-6}, B=-783.0\right)$$ |
R364 | NO3 + LIMO | → | 0.5 OLNN + 0.5 OLND | $$\mathrm{scaled_M}\left(A=0.0073470117272\right)$$ |
R365 | NO + LIMO2 | → | 0.22 MONITU + 0.289 MEK + 0.491 RCHO + 0.289 PRPE + 0.78 NO2 + 0.686 HO2 + 0.231 CH2O + 0.058 HAC | $$\mathrm{scaled_M}\left(A=0.002408856304\right)$$ |
R366 | LIMO2 + HO2 | → | PIP | $$\mathrm{scaled_M}\left(A=0.00903321114\right)$$ |
R367 | MO2 + LIMO2 | → | 0.192 PRPE + 0.25 ROH + HO2 + 0.308 MACR + 1.04 CH2O + 0.25 MOH | $$\mathrm{arrhenius_M}\left(A=2.14388211056 \times 10^{-5}, B=708.0\right)$$ |
R368 | MCO3 + LIMO2 | → | 0.5 RCOOH + 0.5 MO2 + 0.192 PRPE + 0.5 HO2 + 0.308 MACR + 0.385 CH2O | $$\mathrm{arrhenius_M}\left(A=0.00044563841624, B=765.0\right)$$ |
R369 | NO3 + LIMO2 | → | 0.385 PRPE + NO2 + HO2 + 0.615 MACR + 0.385 CH2O | $$\mathrm{scaled_M}\left(A=0.0007226568912\right)$$ |
R370 | PIP + OH | → | 0.41 MEK + 0.08 RCHO + 0.44 R4O2 + 0.49 OH | $$\mathrm{arrhenius_M}\left(A=0.0020475278584, B=190.0\right)$$ |
R371 | NO + OLNN | → | MONITS + NO2 + HO2 | $$\mathrm{scaled_M}\left(A=0.002408856304\right)$$ |
R372 | NO + OLND | → | 0.464 MEK + 1.24 RCHO + 2 NO2 + 0.287 CH2O | $$\mathrm{scaled_M}\left(A=0.002408856304\right)$$ |
R373 | OLNN + HO2 | → | 0.3 MONITU + 0.7 MONITS | $$\mathrm{arrhenius_M}\left(A=9.9967536616 \times 10^{-5}, B=1300.0\right)$$ |
R374 | OLND + HO2 | → | 0.3 MONITU + 0.7 MONITS | $$\mathrm{arrhenius_M}\left(A=9.9967536616 \times 10^{-5}, B=1300.0\right)$$ |
R375 | MO2 + OLNN | → | 0.3 MONITU + 0.7 MONITS + 2 HO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=9.635425216 \times 10^{-5}, B=708.0\right)$$ |
R376 | MO2 + OLND | → | 0.15 MONITU + 0.348 MEK + 0.93 RCHO + 0.25 ROH + 0.35 MONITS + 0.5 NO2 + 0.5 HO2 + 0.965 CH2O + 0.25 MOH | $$\mathrm{arrhenius_M}\left(A=5.8294322556800003 \times 10^{-5}, B=708.0\right)$$ |
R377 | MCO3 + OLNN | → | 0.3 MONITU + MO2 + 0.7 MONITS + HO2 | $$\mathrm{arrhenius_M}\left(A=0.00053295945726, B=765.0\right)$$ |
R378 | MCO3 + OLND | → | 0.5 RCOOH + 0.5 MO2 + 1.24 RCHO + 0.464 MEK + NO2 + 0.287 CH2O | $$\mathrm{arrhenius_M}\left(A=0.00032338895881200004, B=765.0\right)$$ |
R379 | OLNN + NO3 | → | 0.3 MONITU + 0.7 MONITS + NO2 + HO2 | $$\mathrm{scaled_M}\left(A=0.0007226568912\right)$$ |
R380 | NO3 + OLND | → | 0.464 MEK + 1.24 RCHO + 2 NO2 + 0.287 CH2O | $$\mathrm{scaled_M}\left(A=0.0007226568912\right)$$ |
R381 | 2 OLNN | → | 0.6 MONITU + 1.4 MONITS + HO2 | $$\mathrm{arrhenius_M}\left(A=4.2154985320000006 \times 10^{-5}, B=1000.0\right)$$ |
R382 | OLNN + OLND | → | 0.45 MONITU + 0.149 MEK + 0.64 RCHO + 1.05 MONITS + 0.5 NO2 + 0.5 HO2 + 0.202 CH2O | $$\mathrm{arrhenius_M}\left(A=2.559409823 \times 10^{-5}, B=1000.0\right)$$ |
R383 | 2 OLND | → | 0.3 MONITU + 0.285 MEK + 1.21 RCHO + 0.7 MONITS + NO2 + 0.504 CH2O | $$\mathrm{arrhenius_M}\left(A=1.7825536649600002 \times 10^{-5}, B=1000.0\right)$$ |
R384 | MONITS + OH | → | HONIT | $$\mathrm{scaled_M}\left(A=0.0028906275648\right)$$ |
R385 | MONITU + OH | → | HONIT | $$\mathrm{scaled_M}\left(A=0.0439014061404\right)$$ |
R386 | MONITU + O3 | → | HONIT | $$\mathrm{scaled_M}\left(A=1.00569750692 \times 10^{-7}\right)$$ |
R387 | MONITU + NO3 | → | HONIT | $$\mathrm{arrhenius_M}\left(A=0.00018969743394000002, B=-448.0\right)$$ |
R388 | MONITS + NO3 | → | HONIT | $$\mathrm{arrhenius_M}\left(A=0.00018969743394000002, B=-448.0\right)$$ |
R389 | IONITA | → | HNO3 + INDIOL | $$0.000278$$ |
R390 | MONITA | → | HNO3 + INDIOL | $$0.000278$$ |
R391 | HONIT + OH | → | NO3 + HAC | $$\frac{2.3609282745947946 \times 10^{-7} \cdot num_{density}^{2} \cdot e^{\frac{1335.0}{T}}}{1.0 + \frac{3.9204136347599994 \times 10^{-22} \cdot num_{density} \cdot e^{\frac{1335.0}{T}}}{2.69 \times 10^{-23} \cdot e^{\frac{2199.0}{T}}}} + 1.4513359231599999 \times 10^{-5} \cdot e^{\frac{460.0}{T}} \cdot num_{density}$$ |
R392 | MENO3 + OH | → | NO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0004817712608, B=-1000.0\right)$$ |
R393 | ETNO3 + OH | → | ALD2 + NO2 | $$\mathrm{arrhenius_M}\left(A=0.000602214076, B=-490.0\right)$$ |
R394 | IPRNO3 + OH | → | ACET + NO2 | $$\mathrm{arrhenius_M}\left(A=0.0007226568912, B=-320.0\right)$$ |
R395 | NPRNO3 + OH | → | RCHO + NO2 | $$\mathrm{scaled_M}\left(A=0.00042757199396000004\right)$$ |
R396 | O3 + ISOP | → | 0.013 H2O2 + 0.177 MVK + 0.407 CO + 0.407 MO2 + 0.58 CH2OO + 0.16 HO2 + 0.416 MACR + 0.28 OH + 0.407 CO2 + 0.827 CH2O | $$\mathrm{scaled_M}\left(A=7.828782988 \times 10^{-9}\right)$$ |
R397 | ISOP + OH | → | IHOO1 + LISOPOH | $$0.010237639292 \cdot \left(1.0 + \frac{\left(-471165000000000.0\right) \cdot e^{\frac{-12200.0}{T}} \cdot e^{\frac{100000000.0}{T^{3}}}}{179000000000000.0 \cdot e^{\frac{-8830.0}{T}} + 5050000000000000.0 \cdot e^{\frac{-12200.0}{T}} \cdot e^{\frac{100000000.0}{T^{3}}}}\right) \cdot num_{density} \cdot e^{\frac{390.0}{T}}$$ |
R398 | ISOP + OH | → | IHOO4 + LISOPOH | $$0.00602214076 \cdot \left(1.0 + \frac{\left(-501720000.0\right) \cdot e^{\frac{-7160.0}{T}} \cdot e^{\frac{100000000.0}{T^{3}}}}{175000000000000.0 \cdot e^{\frac{-9054.0}{T}} + 2220000000.0 \cdot e^{\frac{-7160.0}{T}} \cdot e^{\frac{100000000.0}{T^{3}}}}\right) \cdot num_{density} \cdot e^{\frac{390.0}{T}}$$ |
R399 | ISOP + OH | → | 0.6 CO + 0.3 MCO3 + 0.25 HPALD1 + 0.3 HPETHNL + 0.3 MGLY + 0.4 HO2 + LISOPOH + 0.15 HPALD3 + 0.3 CH2O + 1.5 OH | $$\frac{4823617317015.18 \cdot e^{\frac{-12200.0}{T}} \cdot e^{\frac{390.0}{T}} \cdot e^{\frac{100000000.0}{T^{3}}} \cdot num_{density}}{179000000000000.0 \cdot e^{\frac{-8830.0}{T}} + 5050000000000000.0 \cdot e^{\frac{-12200.0}{T}} \cdot e^{\frac{100000000.0}{T^{3}}}}$$ |
R400 | ISOP + OH | → | 0.15 HPALD4 + 0.9 CO + 0.25 HPALD2 + 0.3 ATOOH + 0.3 MGLY + 0.7 HO2 + LISOPOH + 1.5 OH + 0.3 CH2O | $$\frac{3021428.4621072 \cdot e^{\frac{-7160.0}{T}} \cdot e^{\frac{100000000.0}{T^{3}}} \cdot e^{\frac{390.0}{T}} \cdot num_{density}}{175000000000000.0 \cdot e^{\frac{-9054.0}{T}} + 2220000000.0 \cdot e^{\frac{-7160.0}{T}} \cdot e^{\frac{100000000.0}{T^{3}}}}$$ |
R401 | IHOO1 + HO2 | → | 0.937 RIPA + 0.063 MVK + 0.063 HO2 + 0.063 OH + 0.063 CH2O | $$\mathrm{arrhenius_clamp_lin}\left(B=1.1644, C=-0.00070485\right)$$ |
R402 | IHOO1 + HO2 | → | RIPC | $$\mathrm{arrhenius_clamp_lin}\left(B=-0.1644, C=0.00070485\right)$$ |
R403 | IHOO4 + HO2 | → | 0.063 HO2 + 0.063 MACR + 0.063 OH + 0.063 CH2O + 0.937 RIPB | $$\mathrm{arrhenius_clamp_lin}\left(B=1.2038, C=-0.00090435\right)$$ |
R404 | IHOO4 + HO2 | → | RIPD | $$\mathrm{arrhenius_clamp_lin}\left(B=-0.2038, C=0.00090435\right)$$ |
R405 | IHOO1 | → | MVK + OH + CH2O | $$\frac{104000000000.0 \cdot \left(1.1644 + \left(-0.00070485\right) \cdot T\right) \cdot e^{\frac{-9746.0}{T}} + \left |
R406 | IHOO1 | → | 0.6 CO + 0.3 MCO3 + 0.25 HPALD1 + 0.3 HPETHNL + 0.3 MGLY + 0.4 HO2 + 0.15 HPALD3 + 1.5 OH + 0.3 CH2O | $$\frac{5050000000000000.0 \cdot e^{\frac{100000000.0}{T^{3}}} \cdot e^{\frac{-12200.0}{T}} \cdot \left(-0.0128 + 5.1242 \times 10^{-5} \cdot T\right) + \left |
R407 | IHOO4 | → | MACR + OH + CH2O | $$\frac{188000000000.0 \cdot \left(1.2038 + \left(-0.00090435\right) \cdot T\right) \cdot e^{\frac{-9752.0}{T}} + \left |
R408 | IHOO4 | → | 0.15 HPALD4 + 0.9 CO + 0.25 HPALD2 + 0.3 ATOOH + 0.3 MGLY + 0.7 HO2 + 1.5 OH + 0.3 CH2O | $$\frac{2220000000.0 \cdot \left(-0.0306 + 0.00011346 \cdot T\right) \cdot e^{\frac{-7160.0}{T}} \cdot e^{\frac{100000000.0}{T^{3}}} + \left |
R409 | 2 IHOO1 | → | 2 MVK + 2 HO2 + 2 CH2O | $$\mathrm{arrhenius_clamp_M_lin_exp0}\left(A=4.16732140592 \times 10^{-5}, B=1.1644, C=-0.00070485\right)$$ |
R410 | 2 IHOO4 | → | 2 HO2 + 2 MACR + 2 CH2O | $$\mathrm{arrhenius_clamp_M_lin_exp0}\left(A=0.0034567087962400003, B=1.2038, C=-0.00090435\right)$$ |
R411 | IHOO4 + IHOO1 | → | MVK + 2 HO2 + MACR + 2 CH2O | $$\mathrm{arrhenius_clamp_M_lin_exp0}\left(A=0.0009274096770399999, B=2.3682, C=-0.0016092\right)$$ |
R412 | 2 IHOO1 | → | CO + MVKHP + HO2 + HC5A + OH | $$\frac{0.0014995130492400002 \cdot e^{0} \cdot \left(-0.1644 + 0.00070485 \cdot T\right) \cdot num_{density} + \left |
R413 | 2 IHOO4 | → | CO + HO2 + HC5A + OH + MCRHP | $$\mathrm{arrhenius_clamp_M_lin_exp0}\left(A=0.00237272345944, B=-0.2038, C=0.00090435\right)$$ |
R414 | IHOO4 + IHOO1 | → | CO + 0.5 MVKHP + HO2 + HC5A + OH + 0.5 MCRHP | $$\mathrm{arrhenius_clamp_M_lin_exp0}\left(A=0.00092740967704, B=-0.3682, C=0.0016092\right)$$ |
R415 | MO2 + IHOO1 | → | MVK + 2 HO2 + 2 CH2O | $$\mathrm{arrhenius_clamp_M_lin_exp0}\left(A=0.001204428152, B=1.1644, C=-0.00070485\right)$$ |
R416 | MO2 + IHOO1 | → | 0.5 CO + 0.5 MVKHP + 1.5 HO2 + 0.5 HC5A + 0.5 OH + CH2O | $$\frac{0.001204428152 \cdot e^{0} \cdot \left(-0.1644 + 0.00070485 \cdot T\right) \cdot num_{density} + \left |
R417 | IHOO4 + MO2 | → | 2 HO2 + MACR + 2 CH2O | $$\mathrm{arrhenius_clamp_M_lin_exp0}\left(A=0.001204428152, B=1.2038, C=-0.00090435\right)$$ |
R418 | IHOO4 + MO2 | → | 0.5 CO + 1.5 HO2 + 0.5 HC5A + 0.5 OH + CH2O + 0.5 MCRHP | $$\mathrm{arrhenius_clamp_M_lin_exp0}\left(A=0.001204428152, B=-0.2038, C=0.00090435\right)$$ |
R419 | NO + IHOO1 | → | IHN2 | $$\frac{\frac{7.90064332542301 \times 10^{-5} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot e^{\frac{350.0}{T}} \cdot \left(1.1644 + \left(-0.000705\right) \cdot T\right) \cdot num_{density}^{2}}{\left(1.19 + \frac{0.04859009962100446 \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right) \cdot \left(1.0 + \frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)} + \left |
R420 | NO + IHOO1 | → | MVK + NO2 + HO2 + CH2O | $$\frac{\frac{0.001934913826188 \cdot e^{\frac{350.0}{T}} \cdot \left(1.1644 + \left(-0.000705\right) \cdot T\right) \cdot num_{density}}{1.19 + \frac{0.04859009962100446 \cdot num_{density} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}\right)^{2}}}}{1.0 + 0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}}} + \left |
R421 | NO + IHOO1 | → | IHN4 | $$\frac{\frac{7.90064332542301 \times 10^{-5} \cdot \left(-0.1644 + 0.000705 \cdot T\right) \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot e^{\frac{350.0}{T}} \cdot num_{density}^{2}}{\left(1.0 + \frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right) \cdot \left(1.421 + \frac{0.04859009962100446 \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right)} + \left |
R422 | NO + IHOO1 | → | 0.55 CO + 0.55 MVKHP + NO2 + 0.45 HO2 + 0.45 HC5A + 0.55 OH | $$\frac{\frac{0.0023105147453892 \cdot \left(-0.1644 + 0.000705 \cdot T\right) \cdot e^{\frac{350.0}{T}} \cdot num_{density}}{1.421 + \frac{0.04859009962100446 \cdot num_{density} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}\right)^{2}}}}{1.0 + 0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}}} + \left |
R423 | NO + IHOO4 | → | IHN3 | $$\frac{\frac{7.90064332542301 \times 10^{-5} \cdot \left(1.2038 + \left(-0.000904\right) \cdot T\right) \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot e^{\frac{350.0}{T}} \cdot num_{density}^{2}}{\left(1.0 + \frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right) \cdot \left(1.297 + \frac{0.04859009962100446 \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right)} + \left |
R424 | NO + IHOO4 | → | NO2 + HO2 + MACR + CH2O | $$\frac{\frac{0.0021088934727443998 \cdot \left(1.2038 + \left(-0.000904\right) \cdot T\right) \cdot e^{\frac{350.0}{T}} \cdot num_{density}}{1.297 + \frac{0.04859009962100446 \cdot num_{density} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}\right)^{2}}}}{1.0 + 0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}}} + \left |
R425 | NO + IHOO4 | → | IHN1 | $$\frac{\frac{7.90064332542301 \times 10^{-5} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot e^{\frac{350.0}{T}} \cdot num_{density}^{2} \cdot \left(-0.2038 + 0.000904 \cdot T\right)}{\left(1.0 + \frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right) \cdot \left(1.421 + \frac{0.04859009962100446 \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{0.04859009962100446 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right)} + \left |
R426 | NO + IHOO4 | → | 0.55 CO + NO2 + 0.45 HO2 + 0.45 HC5A + 0.55 OH + 0.55 MCRHP | $$\frac{\frac{0.0023105147453892 \cdot e^{\frac{350.0}{T}} \cdot num_{density} \cdot \left(-0.2038 + 0.000904 \cdot T\right)}{1.421 + \frac{0.04859009962100446 \cdot num_{density} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}\right)^{2}}}}{1.0 + 0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}}} + \left |
R427 | HPALD1 + OH | → | 0.035 MVK + 0.45 CO + 0.33 MVKHP + 0.085 ICHE + 0.315 HPALD1OO + 0.085 MGLY + 0.085 HO2 + 1.085 OH + 0.085 CH2O + 0.15 IDC | $$\mathrm{arrhenius_M}\left(A=0.007045904689200001, B=450.0\right)$$ |
R428 | HPALD2 + OH | → | 0.165 CH2O + 0.37 CO + 0.165 ICHE + 0.315 HPALD2OO + 0.165 MGLY + 0.165 HO2 + 0.035 MACR + 1.165 OH + 0.17 MCRHP + 0.15 IDC | $$\mathrm{arrhenius_M}\left(A=0.007045904689200001, B=450.0\right)$$ |
R429 | HPALD3 + OH | → | 0.23 MVK + 0.42 CO + 0.19 MVKHP + 0.58 ICHE + OH | $$\mathrm{arrhenius_M}\left(A=0.013248709672000002, B=390.0\right)$$ |
R430 | HPALD4 + OH | → | 0.23 CO + 0.77 ICHE + 0.14 MACR + OH + 0.09 MCRHP | $$\mathrm{arrhenius_M}\left(A=0.021077492660000002, B=390.0\right)$$ |
R431 | HC5A + OH | → | 0.638 CO + 0.125 MVKHP + 0.068 IEPOXBOO + 0.355 MGLY + 0.283 HO2 + 0.355 CO2 + 1.065 OH + 0.294 IEPOXAOO + 0.158 MCRHP | $$\mathrm{arrhenius_M}\left(A=0.0027942733126399997, B=650.0\right)$$ |
R432 | ICHE + OH | → | 1.5 CO + 0.5 MGLY + OH + 0.5 CH2O + 0.5 HAC | $$\mathrm{arrhenius_M}\left(A=0.0059318086486, B=410.0\right)$$ |
R433 | OH + IDC | → | MVKPC + CO + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0018066422280000002, B=650.0\right)$$ |
R434 | RIPA + OH | → | 0.345 IHPOO1 + 0.655 IHPOO3 + 0.005 LVOC | $$\mathrm{arrhenius_M}\left(A=0.0014874687677200002, B=390.0\right)$$ |
R435 | RIPA + OH | → | 0.33 IEPOXB + 0.005 LVOC + OH + 0.67 IEPOXA | $$\mathrm{arrhenius_M_div_lin}\left(A=0.0097558680312, B=390.0, C=0.00287256114252\right)$$ |
R436 | OH + RIPB | → | 0.345 IHPOO2 + 0.655 IHPOO3 + 0.005 LVOC | $$\mathrm{arrhenius_M}\left(A=0.0026196312306, B=390.0\right)$$ |
R437 | OH + RIPB | → | 0.32 IEPOXB + 0.005 LVOC + OH + 0.68 IEPOXA | $$\mathrm{arrhenius_M_div_lin}\left(A=0.017163101166, B=390.0, C=0.00287256114252\right)$$ |
R438 | RIPA + OH | → | 0.125 MVK + 0.25 CO + 0.125 MVKHP + 0.75 IHOO1 + 0.25 HO2 + 0.005 LVOC | $$\mathrm{arrhenius_M}\left(A=0.0036735058636000006, B=200.0\right)$$ |
R439 | OH + RIPB | → | 0.33 CO + 0.51 IHOO4 + 0.16 ICHOO + 0.33 HO2 + 0.165 MACR + 0.005 LVOC + 0.165 MCRHP | $$\mathrm{arrhenius_M}\left(A=0.0024690777116, B=200.0\right)$$ |
R440 | RIPC + OH | → | 0.018 HPETHNL + 0.005 LVOC + 0.06 HC5A + 0.595 IHPOO1 + 0.015 HPALD1 + 0.009 HPALD3 + 0.036 CO + 0.255 IEPOXD + 0.024 HO2 + 0.405 OH + 0.018 MCO3 + 0.03 IHOO1 + 0.018 MGLY + 0.018 CH2O | $$\mathrm{arrhenius_M}\left(A=0.0212581568828, B=390.0\right)$$ |
R441 | RIPD + OH | → | 0.255 IHPOO2 + 0.015 HPALD2 + 0.005 LVOC + 0.06 HC5A + 0.054 CO + 0.018 ATOOH + 0.595 IEPOXD + 0.042 HO2 + 0.745 OH + 0.009 HPALD4 + 0.03 IHOO4 + 0.018 MGLY + 0.018 CH2O | $$\mathrm{arrhenius_M}\left(A=0.0212581568828, B=390.0\right)$$ |
R442 | IHPOO1 | → | 0.176 ICPDH + 0.824 IDHPE + OH | $$\mathrm{arrhenius}\left(A=15900000000000.0, B=-10000.0\right)$$ |
R443 | IHPOO1 + NO | → | 0.284 HAC + 0.284 HPETHNL + NO2 + HO2 + 0.716 MCRHP + 0.716 CH2O | $$\mathrm{troe_clamp_arr_M}\left(A=0.0034145538109200003, B=2.1, Fc=0.9759582400390522, M0=2.2696703256722146\right)$$ |
R444 | IHPOO1 + NO | → | ITHN | $$\mathrm{troe_clamp_jpl_alt}\left(A=0.0015868866322972007, Fc=0.9759582400390522, B=2.1\right)$$ |
R445 | IHPOO1 + HO2 | → | 0.135 HAC + 0.725 IDHDP + 0.135 HPETHNL + 0.275 HO2 + 0.275 OH + 0.14 MCRHP + 0.14 CH2O | $$\mathrm{arrhenius_M}\left(A=0.000148746876772, B=1300.0\right)$$ |
R446 | IHPOO2 | → | 0.548 ICPDH + 0.452 IDHPE + OH | $$\mathrm{arrhenius}\left(A=29100000000000.0, B=-10000.0\right)$$ |
R447 | NO + IHPOO2 | → | 0.706 MVKHP + 0.294 ATOOH + 0.294 GLYC + NO2 + HO2 + 0.706 CH2O | $$\mathrm{troe_clamp_arr_M}\left(A=0.0037641390820379998, B=2.315, Fc=0.9759582400390522, M0=2.2696703256722146\right)$$ |
R448 | NO + IHPOO2 | → | ITHN | $$\frac{\frac{0.0015868866322972007 \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.9759582400390522 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot e^{\frac{350.0}{T}} \cdot num_{density}^{2}}{\left(1.0 + \frac{0.9759582400390522 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right) \cdot \left(2.315 + \frac{0.9759582400390522 \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.9759582400390522 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{0.9759582400390522 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right)} + \left |
R449 | IHPOO2 + HO2 | → | 0.14 MVKHP + 0.135 ATOOH + 0.725 IDHDP + 0.135 GLYC + 0.275 HO2 + 0.275 OH + 0.14 CH2O | $$\mathrm{arrhenius_M}\left(A=0.000148746876772, B=1300.0\right)$$ |
R450 | IHPOO3 | → | IDHPE | $$\mathrm{arrhenius}\left(A=18750000000000.0, B=-10000.0\right)$$ |
R451 | NO + IHPOO3 | → | GLYC + NO2 + OH + HAC | $$\mathrm{troe_clamp_arr_M}\left(A=0.0050063862780108, B=3.079, Fc=0.9759582400390522, M0=2.2696703256722146\right)$$ |
R452 | NO + IHPOO3 | → | ITHN | $$\mathrm{troe_clamp_jpl_alt}\left(A=0.0015868866322972007, Fc=0.9759582400390522, B=3.079\right)$$ |
R453 | IHPOO3 + HO2 | → | 0.35 IDHDP + 0.65 GLYC + 1.3 OH + 0.65 HAC | $$\mathrm{arrhenius_M}\left(A=0.00014874687677200003, B=1300.0\right)$$ |
R454 | IEPOXD + OH | → | 0.25 ICHOO + 0.75 ICHE + 0.75 HO2 | $$\mathrm{arrhenius_M}\left(A=0.019391293247200004, B=-400.0\right)$$ |
R455 | OH + IEPOXA | → | ICHE + HO2 | $$\mathrm{arrhenius_M}\left(A=0.006323247798, B=-400.0\right)$$ |
R456 | OH + IEPOXA | → | 0.33 IEPOXBOO + 0.67 IEPOXAOO | $$\mathrm{arrhenius_M_div_lin}\left(A=0.0350488592232, B=-400.0, C=0.006865240466399999\right)$$ |
R457 | IEPOXB + OH | → | ICHE + HO2 | $$\mathrm{arrhenius_M}\left(A=0.004968266127000001, B=-400.0\right)$$ |
R458 | IEPOXB + OH | → | 0.19 IEPOXBOO + 0.81 IEPOXAOO | $$\mathrm{arrhenius_M_div_lin}\left(A=0.02258302785, B=-400.0, C=0.00536572741716\right)$$ |
R459 | IEPOXAOO | → | IDCHP + HO2 | $$\mathrm{arrhenius}\left(A=18750000000000.0, B=-10000.0\right)$$ |
R460 | IEPOXAOO | → | CO + MVKDH + OH | $$\mathrm{arrhenius}\left(A=10000000.0, B=-5000.0\right)$$ |
R461 | HO2 + IEPOXAOO | → | 0.13 CO + 0.35 ICPDH + 0.13 MVKDH + 0.52 GLYC + 0.52 MGLY + 0.65 HO2 + 0.65 OH | $$\mathrm{arrhenius_M}\left(A=0.000143326950088, B=1300.0\right)$$ |
R462 | NO + IEPOXAOO | → | 0.2 CO + 0.2 MVKDH + 0.8 GLYC + NO2 + 0.8 MGLY + HO2 | $$\mathrm{troe_clamp_arr_M}\left(A=0.0212970599121096, B=13.098, Fc=0.3590349719522309, M0=0.8349650510516997\right)$$ |
R463 | NO + IEPOXAOO | → | ITCN | $$\frac{\frac{0.0005837829674919263 \cdot e^{\frac{350.0}{T}} \cdot num_{density}^{2} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}}}{\left(13.098 + \frac{0.3590349719522309 \cdot num_{density} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}}}{1.0 + \frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right) \cdot \left(1.0 + \frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)} + \left |
R464 | IEPOXBOO | → | IDCHP + HO2 | $$\mathrm{arrhenius}\left(A=18750000000000.0, B=-10000.0\right)$$ |
R465 | IEPOXBOO | → | MCRDH + CO + OH | $$\mathrm{arrhenius}\left(A=10000000.0, B=-5000.0\right)$$ |
R466 | NO + IEPOXBOO | → | 0.8 GLYX + 0.2 CO + 0.2 MCRDH + NO2 + HO2 + 0.8 HAC | $$\mathrm{troe_clamp_arr_M}\left(A=0.026768475899607597, B=16.463, Fc=0.3590349719522309, M0=0.8349650510516997\right)$$ |
R467 | NO + IEPOXBOO | → | ITCN | $$\frac{\frac{0.0005837829674919263 \cdot e^{\frac{350.0}{T}} \cdot num_{density}^{2} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}}}{\left(16.463 + \frac{0.3590349719522309 \cdot num_{density} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}}}{1.0 + \frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right) \cdot \left(1.0 + \frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)} + \left |
R468 | IEPOXBOO + HO2 | → | 0.13 MCRDH + 0.13 CO + 0.52 GLYX + 0.35 ICPDH + 0.65 HO2 + 0.65 OH + 0.52 HAC | $$\mathrm{arrhenius_M}\left(A=0.000143326950088, B=1300.0\right)$$ |
R469 | ICHOO + HO2 | → | 0.35 ICPDH + 0.52 CO + 0.13 MVKHC + 0.65 HO2 + 0.65 OH + 0.65 CH2O + 0.52 HAC | $$\mathrm{arrhenius_M}\left(A=0.000143326950088, B=1300.0\right)$$ |
R470 | NO + ICHOO | → | ITCN | $$\frac{\frac{0.0005837829674919263 \cdot e^{\frac{350.0}{T}} \cdot num_{density}^{2} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}}}{\left(13.098 + \frac{0.3590349719522309 \cdot num_{density} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}}}{1.0 + \frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right) \cdot \left(1.0 + \frac{0.3590349719522309 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)} + \left |
R471 | NO + ICHOO | → | 0.8 CO + 0.2 MVKHC + NO2 + HO2 + 0.8 HAC + CH2O | $$\mathrm{troe_clamp_arr_M}\left(A=0.0212970599121096, B=13.098, Fc=0.3590349719522309, M0=0.8349650510516997\right)$$ |
R472 | ICHOO | → | 2 CO + HO2 + OH + HAC | $$\mathrm{arrhenius}\left(A=18750000000000.0, B=-10000.0\right)$$ |
R473 | NO + HPALD1OO | → | MVK + NO2 + CO2 + OH | $$\mathrm{arrhenius_M}\left(A=0.0016259780051999999, B=350.0\right)$$ |
R474 | HPALD1OO + HO2 | → | MVK + CO2 + 2 OH | $$\mathrm{arrhenius_M}\left(A=0.000143326950088, B=1300.0\right)$$ |
R475 | NO + HPALD2OO | → | NO2 + CO2 + OH + MACR | $$\mathrm{arrhenius_M}\left(A=0.0016259780052, B=350.0\right)$$ |
R476 | HPALD2OO + HO2 | → | CO2 + 2 OH + MACR | $$\mathrm{arrhenius_M}\left(A=0.000143326950088, B=1300.0\right)$$ |
R477 | IHN2 + OH | → | ISOPNOO1 | $$\mathrm{arrhenius_M}\left(A=0.0042998085026399995, B=390.0\right)$$ |
R478 | IHN2 + OH | → | 0.33 IEPOXB + NO2 + 0.67 IEPOXA | $$\mathrm{arrhenius_M_div_lin}\left(A=0.0037939486788000007, B=390.0, C=0.097558680312\right)$$ |
R479 | IHN3 + OH | → | ISOPNOO2 | $$\mathrm{arrhenius_M}\left(A=0.0061425835752, B=390.0\right)$$ |
R480 | IHN3 + OH | → | 0.33 IEPOXB + NO2 + 0.67 IEPOXA | $$\mathrm{arrhenius_M_div_lin}\left(A=0.006323247798, B=390.0, C=0.149951304924\right)$$ |
R481 | OH + IHN1 | → | IEPOXD + NO2 | $$\mathrm{arrhenius_M_div_lin}\left(A=0.009334318178000001, B=390.0, C=0.16350112163400002\right)$$ |
R482 | OH + IHN1 | → | IDHNDOO1 | $$\mathrm{arrhenius_M}\left(A=0.012285167150400001, B=390.0\right)$$ |
R483 | IHN4 + OH | → | IEPOXD + NO2 | $$\mathrm{arrhenius_M_div_lin}\left(A=0.00573307800352, B=390.0, C=0.16350112163400002\right)$$ |
R484 | IHN4 + OH | → | IDHNDOO2 | $$\mathrm{arrhenius_M}\left(A=0.017765315242000004, B=390.0\right)$$ |
R485 | OH + IHN1 | → | 0.6 CO + 0.6 MCRHNB + 0.4 ICN + 0.4 HO2 + 0.6 OH | $$\mathrm{arrhenius_M}\left(A=0.00451660557, B=20.0\right)$$ |
R486 | IHN4 + OH | → | 0.6 CO + 0.4 ICN + 0.4 HO2 + 0.6 OH + 0.6 MVKN | $$\mathrm{arrhenius_M}\left(A=0.00451660557, B=20.0\right)$$ |
R487 | ISOPNOO1 | → | HO2 + ITCN | $$\mathrm{arrhenius}\left(A=18750000000000.0, B=-10000.0\right)$$ |
R488 | ISOPNOO1 + HO2 | → | 0.482 ITHN + 0.059 MCRHN + 0.459 GLYC + 0.459 NO2 + 0.059 HO2 + 0.518 OH + 0.059 CH2O + 0.459 HAC | $$\mathrm{arrhenius_M}\left(A=0.00015657565976000002, B=1300.0\right)$$ |
R489 | NO + ISOPNOO1 | → | 0.272 MCRHN + 0.728 GLYC + 1.728 NO2 + 0.272 HO2 + 0.272 CH2O + 0.728 HAC | $$\mathrm{troe_clamp_arr_M}\left(A=0.010276180992864, B=6.32, Fc=7.211410185862182, M0=16.77072136247019\right)$$ |
R490 | NO + ISOPNOO1 | → | IDN | $$\frac{\frac{0.011725594348687151 \cdot e^{\frac{350.0}{T}} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}^{2}}{\left(6.32 + \frac{7.211410185862182 \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right) \cdot \left(1.0 + \frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)} + \left |
R491 | ISOPNOO2 | → | HO2 + ITCN | $$\mathrm{arrhenius}\left(A=18750000000000.0, B=-10000.0\right)$$ |
R492 | HO2 + ISOPNOO2 | → | 0.401 ITHN + 0.599 HO2 + 0.599 MVKN + 0.599 CH2O + 0.599 OH | $$\mathrm{arrhenius_M}\left(A=0.00015657565976, B=1300.0\right)$$ |
R493 | NO + ISOPNOO2 | → | NO2 + HO2 + MVKN + CH2O | $$\mathrm{troe_clamp_arr_M}\left(A=0.012911891339293198, B=7.941, Fc=7.211410185862182, M0=16.77072136247019\right)$$ |
R494 | NO + ISOPNOO2 | → | IDN | $$\frac{\frac{0.011725594348687151 \cdot e^{\frac{350.0}{T}} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}^{2}}{\left(1.0 + \frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right) \cdot \left(7.941 + \frac{7.211410185862182 \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right)} + \left |
R495 | IDHNDOO1 | → | HO2 + ITCN | $$\mathrm{arrhenius}\left(A=12560000000000.0, B=-10000.0\right)$$ |
R496 | IDHNDOO2 | → | HO2 + ITCN | $$\mathrm{arrhenius}\left(A=5092000000000.0, B=-10000.0\right)$$ |
R497 | HO2 + IDHNDOO1 | → | 0.418 ITHN + 0.551 PROPNN + 0.031 MCRHNB + 0.551 GLYC + 0.582 HO2 + 0.582 OH + 0.031 CH2O | $$\mathrm{arrhenius_M}\left(A=0.00015657565976, B=1300.0\right)$$ |
R498 | NO + IDHNDOO1 | → | 0.935 PROPNN + 0.065 MCRHNB + 0.935 GLYC + NO2 + HO2 + 0.065 CH2O | $$\mathrm{troe_clamp_arr_M}\left(A=0.007661608360502399, B=4.712, Fc=7.211410185862182, M0=16.77072136247019\right)$$ |
R499 | NO + IDHNDOO1 | → | IDN | $$\frac{\frac{0.011725594348687151 \cdot e^{\frac{350.0}{T}} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}^{2}}{\left(4.712 + \frac{7.211410185862182 \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right) \cdot \left(1.0 + \frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)} + \left |
R500 | HO2 + IDHNDOO2 | → | 0.065 CH2O + 0.506 OH + 0.494 ITHN + 0.506 HO2 + 0.065 MVKN + 0.441 HAC + 0.441 ETHLN | $$\mathrm{arrhenius_M}\left(A=0.00015657565976000002, B=1300.0\right)$$ |
R501 | NO + IDHNDOO2 | → | 0.142 CH2O + NO2 + HO2 + 0.142 MVKN + 0.858 HAC + 0.858 ETHLN | $$\mathrm{troe_clamp_arr_M}\left(A=0.0036714583357415997, B=2.258, Fc=7.211410185862182, M0=16.77072136247019\right)$$ |
R502 | NO + IDHNDOO2 | → | IDN | $$\frac{\frac{0.011725594348687151 \cdot e^{\frac{350.0}{T}} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}^{2}}{\left(2.258 + \frac{7.211410185862182 \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right) \cdot \left(1.0 + \frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)} + \left |
R503 | HO2 + IDHNBOO | → | 0.033 ETHLN + 0.104 CH2O + 0.621 ITHN + 0.094 MCRHNB + 0.242 PROPNN + 0.242 GLYC + 0.379 HO2 + 0.379 OH + 0.01 MVKN + 0.033 HAC | $$\mathrm{arrhenius_M}\left(A=0.00015657565976, B=1300.0\right)$$ |
R504 | NO + IDHNBOO | → | 0.383 CH2O + 0.546 PROPNN + 0.355 MCRHNB + 0.546 GLYC + NO2 + HO2 + 0.028 MVKN + 0.071 HAC + 0.071 ETHLN | $$\mathrm{troe_clamp_arr_M}\left(A=0.0030096852876251995, B=1.851, Fc=7.211410185862182, M0=16.77072136247019\right)$$ |
R505 | NO + IDHNBOO | → | IDN | $$\frac{\frac{0.011725594348687151 \cdot e^{\frac{350.0}{T}} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}^{2}}{\left(1.0 + \frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right) \cdot \left(1.851 + \frac{7.211410185862182 \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(\frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}\right)^{2}}} \cdot num_{density}}{1.0 + \frac{7.211410185862182 \cdot num_{density}}{0.43 \cdot \frac{298.0}{T}^{8}}}\right)} + \left |
R506 | ISOP + NO3 | → | 0.465 INO2B + LISOPNO3 + 0.535 INO2D | $$\mathrm{arrhenius_M}\left(A=0.0017765315242000003, B=450.0\right)$$ |
R507 | INO2B + HO2 | → | 0.479 MVK + 0.473 INPB + 0.527 NO2 + 0.048 MACR + 0.527 OH + 0.527 CH2O | $$\mathrm{arrhenius_M}\left(A=0.000148746876772, B=1300.0\right)$$ |
R508 | HO2 + INO2D | → | INPD | $$\mathrm{arrhenius_M}\left(A=0.00014874687677200003, B=1300.0\right)$$ |
R509 | 2 INO2B | → | 1.737 MVK + 0.07 INPB + 1.86 NO2 + 0.07 ICN + 0.123 MACR + 1.86 CH2O | $$\mathrm{scaled_M}\left(A=0.00096956466236\right)$$ |
R510 | INO2B + INO2D | → | 0.544 MVK + 0.399 INPB + 0.474 INA + 0.532 ICN + 0.563 NO2 + 0.089 HO2 + 0.019 MACR + 0.563 CH2O + 0.032 IHN1 | $$\mathrm{scaled_M}\left(A=0.0015416680345600002\right)$$ |
R511 | 2 INO2D | → | 0.127 IHN4 + 0.34 INA + 0.861 ICN + 0.064 HO2 + 0.671 IHN1 | $$\mathrm{scaled_M}\left(A=0.0022342142219600003\right)$$ |
R512 | MO2 + INO2D | → | 0.645 CH2O + 0.057 IHN4 + 0.244 INA + 0.401 ICN + 0.336 HO2 + 0.355 MOH + 0.298 IHN1 | $$\mathrm{scaled_M}\left(A=0.0007106126096800001\right)$$ |
R513 | MO2 + INO2B | → | 0.583 MVK + 0.355 INPB + 0.034 ICN + 0.611 NO2 + 0.611 HO2 + 0.028 MACR + 1.577 CH2O + 0.034 MOH | $$\mathrm{scaled_M}\left(A=0.00016861994128000002\right)$$ |
R514 | MCO3 + INO2B | → | 0.903 MVK + MO2 + NO2 + 0.097 MACR + CH2O | $$\mathrm{scaled_M}\left(A=0.00115625102592\right)$$ |
R515 | MCO3 + INO2D | → | MO2 + 0.841 INA + 0.159 ICN + 0.159 HO2 | $$\mathrm{scaled_M}\left(A=0.00464307052596\right)$$ |
R516 | NO3 + INO2B | → | 0.903 MVK + 2 NO2 + 0.097 MACR + CH2O | $$\mathrm{scaled_M}\left(A=0.0013850923748000002\right)$$ |
R517 | NO3 + INO2D | → | 0.841 INA + NO2 + 0.159 ICN + 0.159 HO2 | $$\mathrm{scaled_M}\left(A=0.0013850923748000002\right)$$ |
R518 | NO + INO2B | → | 0.904 MVK + 2 NO2 + 0.096 MACR + CH2O | $$\mathrm{troe_clamp_arr_M}\left(A=0.020999505937158, B=12.915, Fc=0.9759582400390522, M0=2.2696703256722146\right)$$ |
R519 | NO + INO2B | → | IDN | $$\mathrm{troe_clamp_jpl_alt}\left(A=0.0015868866322972007, Fc=0.9759582400390522, B=12.915\right)$$ |
R520 | NO + INO2D | → | 0.841 INA + NO2 + 0.159 ICN + 0.159 HO2 | $$\mathrm{troe_clamp_arr_M}\left(A=0.0022958809433424, B=1.412, Fc=0.9759582400390522, M0=2.2696703256722146\right)$$ |
R521 | NO + INO2D | → | IDN | $$\mathrm{troe_clamp_jpl_alt}\left(A=0.0015868866322972007, Fc=0.9759582400390522, B=1.412\right)$$ |
R522 | INA + O2 | → | ICN + HO2 | $$\mathrm{arrhenius_M}\left(A=1.50553519 \times 10^{-5}, B=-300.0\right)$$ |
R523 | INA | → | IDHNBOO | $$\mathrm{arrhenius}\left(A=1 \times 10^{20}, B=-10000.0\right)$$ |
R524 | INPB + OH | → | 0.67 IHPNBOO + 0.33 IDHNBOO | $$\mathrm{arrhenius_M}\left(A=0.0035410187668800004, B=390.0\right)$$ |
R525 | INPD + OH | → | IHPNDOO | $$\mathrm{arrhenius_M}\left(A=0.0096956466236, B=390.0\right)$$ |
R526 | INPB + OH | → | ITHN + OH | $$\mathrm{arrhenius_M_div_lin}\left(A=0.002692499133796, B=390.0, C=0.013730480932799998\right)$$ |
R527 | INPD + OH | → | ITHN + OH | $$\mathrm{arrhenius_M_div_lin}\left(A=0.005281417446520001, B=390.0, C=0.0131583775606\right)$$ |
R528 | INPD + OH | → | ICHE + NO2 | $$\mathrm{arrhenius_M_div_lin}\left(A=0.00899105615468, B=390.0, C=0.16350112163400002\right)$$ |
R529 | INPB + OH | → | INO2B | $$\mathrm{arrhenius_M}\left(A=0.0013718436651280004, B=200.0\right)$$ |
R530 | INPD + OH | → | INO2D | $$\mathrm{arrhenius_M}\left(A=0.0020475278584000003, B=200.0\right)$$ |
R531 | INPD + OH | → | ICN + OH | $$\mathrm{arrhenius_M}\left(A=0.00451660557, B=20.0\right)$$ |
R532 | IHPNDOO | → | OH + ITCN | $$\mathrm{arrhenius}\left(A=6550000000000.0, B=-10000.0\right)$$ |
R533 | IHPNBOO | → | 0.5 ITHN + OH + 0.5 ITCN | $$\mathrm{arrhenius}\left(A=8720000000000.0, B=-10000.0\right)$$ |
R534 | IHPNBOO + HO2 | → | 0.051 ETHLN + 0.06 MCRHNB + 0.249 HPETHNL + 0.008 MVKN + 0.004 MCRHP + 0.34 GLYC + 0.009 ATOOH + 0.058 NO2 + 0.326 HO2 + 1.147 OH + 0.054 MVKHP + 0.234 ITHN + 0.589 PROPNN + 0.042 HAC + 0.126 CH2O | $$\mathrm{arrhenius_M}\left(A=0.000158984516064, B=1300.0\right)$$ |
R535 | IHPNDOO + HO2 | → | 0.054 ETHLN + 0.387 ITHN + 0.073 MCRHNB + 0.054 ATOOH + 0.471 HPETHNL + 0.471 PROPNN + 0.58 HO2 + 0.015 MVKN + 0.646 OH + 0.088 CH2O | $$\mathrm{arrhenius_M}\left(A=0.000158984516064, B=1300.0\right)$$ |
R536 | NO + IHPNBOO | → | 0.051 HAC + 0.17 MCRHNB + 0.303 HPETHNL + 0.014 MVKN + 0.006 MCRHP + 0.384 GLYC + 0.013 ATOOH + 1.065 NO2 + 0.5 HO2 + 0.435 OH + 0.059 MVKHP + 0.687 PROPNN + 0.249 CH2O + 0.064 ETHLN | $$\mathrm{troe_clamp_arr_M}\left(A=0.009905458007678399, B=6.092, Fc=19.602645265793633, M0=45.587547129752636\right)$$ |
R537 | NO + IHPNBOO | → | IDN | $$\mathrm{troe_clamp_jpl_alt}\left(A=0.03187347004591835, Fc=19.602645265793633, B=6.092\right)$$ |
R538 | NO + IHPNDOO | → | 0.096 OH + 0.59 PROPNN + 0.291 MCRHNB + 0.07 ATOOH + 0.59 HPETHNL + NO2 + 0.904 HO2 + 0.049 MVKN + 0.34 CH2O + 0.07 ETHLN | $$\mathrm{troe_clamp_arr_M}\left(A=0.0071266615967916, B=4.383, Fc=19.602645265793633, M0=45.587547129752636\right)$$ |
R539 | NO + IHPNDOO | → | IDN | $$\mathrm{troe_clamp_jpl_alt}\left(A=0.03187347004591835, Fc=19.602645265793633, B=4.383\right)$$ |
R540 | ICN + OH | → | ICHE + NO2 | $$\mathrm{arrhenius_M_div_lin}\left(A=0.0017885758057200002, B=390.0, C=0.16350112163400002\right)$$ |
R541 | ICN + OH | → | 0.539 CO + 0.378 MCRHNB + 0.461 ICNOO + 0.295 HO2 + 0.244 OH + 0.161 MVKN | $$\mathrm{arrhenius_M}\left(A=0.0056307016106, B=390.0\right)$$ |
R542 | NO + ICNOO | → | 0.33 CO + 0.231 PROPNN + 0.67 ICNOO + NO2 + 0.33 HO2 + 0.33 CO2 + 0.099 ETHLN | $$\mathrm{arrhenius_M}\left(A=0.0016259780051999999, B=350.0\right)$$ |
R543 | ICNOO + HO2 | → | 0.33 CO + 0.231 PROPNN + 0.67 ICNOO + 0.33 HO2 + 0.33 CO2 + OH + 0.099 ETHLN | $$\mathrm{arrhenius_M}\left(A=0.00015296237530399999, B=1300.0\right)$$ |
R544 | IDN + OH | → | 0.565 ITHN + 0.435 IDNOO + 0.565 NO2 | $$0.00602214076 \cdot e^{0.0} \cdot num_{density}$$ |
R545 | NO + IDNOO | → | PROPNN + 0.11 GLYC + 1.11 NO2 + 0.89 HO2 + 0.89 ETHLN | $$\mathrm{arrhenius_M}\left(A=0.0016259780052, B=350.0\right)$$ |
R546 | IDNOO + HO2 | → | 0.82 PROPNN + 0.09 GLYC + 0.09 NO2 + 0.18 IDN + 0.73 HO2 + 0.82 OH + 0.73 ETHLN | $$\mathrm{arrhenius_M}\left(A=0.000163200014596, B=1300.0\right)$$ |
R547 | MVK + OH | → | MVKOHOO | $$\mathrm{arrhenius_M}\left(A=0.0015657565976, B=610.0\right)$$ |
R548 | MVK + O3 | → | 0.18 CO + 0.38 MCO3 + 0.075 PYAC + 0.5 CH2OO + 0.545 MGLY + 0.1 HO2 + 0.045 H2O2 + 0.08 OH + 0.6 CH2O | $$\mathrm{arrhenius_M}\left(A=5.118819646 \times 10^{-7}, B=-1520.0\right)$$ |
R549 | MACR + OH | → | 0.036 CO + 0.036 ATOOH + 0.964 MCROHOO + 0.036 HO2 | $$\mathrm{arrhenius_M}\left(A=0.0026497419344, B=380.0\right)$$ |
R550 | MACR + OH | → | MACR1OO | $$\mathrm{arrhenius_M}\left(A=0.0016259780051999999, B=470.0\right)$$ |
R551 | O3 + MACR | → | 0.12 CO + 0.12 MCO3 + 0.88 CH2OO + 0.88 MGLY + 0.12 OH + 0.12 CH2O | $$\mathrm{arrhenius_M}\left(A=8.430997064 \times 10^{-7}, B=-2100.0\right)$$ |
R552 | NO3 + MACR | → | 0.68 CO + 0.68 PROPNN + 0.32 HNO3 + 0.32 MACR1OO + 0.68 OH | $$\mathrm{arrhenius_M}\left(A=0.00010839853368, B=-1190.0\right)$$ |
R553 | MVKN + OH | → | 0.241 PYAC + 0.04 MCO3 + 0.69 NO3 + 0.29 MVKHCB + 0.449 MGLY + 0.31 NO2 + 0.449 HCOOH + 0.02 OH + 0.241 CH2O | $$\mathrm{arrhenius_M}\left(A=0.00074674545424, B=380.0\right)$$ |
R554 | MVKHP + OH | → | 0.53 MVKHC + 0.47 MVKHCB + OH | $$\mathrm{scaled_M}\left(A=0.0347477521852\right)$$ |
R555 | OH + MCRHP | → | 0.77 CO + 0.23 ATOOH + 0.23 CO2 + OH + 0.77 HAC | $$\mathrm{arrhenius_M}\left(A=0.0016259780051999999, B=470.0\right)$$ |
R556 | MCRHN + OH | → | MACRNO2 | $$\mathrm{arrhenius_M}\left(A=0.0083707756564, B=380.0\right)$$ |
R557 | MCRHNB + OH | → | 0.25 CO + PROPNN + 0.75 CO2 + OH | $$\mathrm{arrhenius_M}\left(A=0.0016259780051999999, B=470.0\right)$$ |
R558 | C4HVP1 + NO | → | MVKOHOO + NO2 | $$\mathrm{arrhenius_M}\left(A=0.0016259780051999999, B=350.0\right)$$ |
R559 | C4HVP1 + HO2 | → | MVKOHOO + OH | $$\mathrm{arrhenius_M}\left(A=0.000116227316668, B=1300.0\right)$$ |
R560 | C4HVP1 + NO2 | → | MVKN | $$\mathrm{scaled_M}\left(A=0.005419926684000001\right)$$ |
R561 | NO + C4HVP2 | → | MCROHOO + NO2 | $$\mathrm{arrhenius_M}\left(A=0.0016259780052, B=350.0\right)$$ |
R562 | HO2 + C4HVP2 | → | MCROHOO + OH | $$\mathrm{arrhenius_M}\left(A=0.000116227316668, B=1300.0\right)$$ |
R563 | NO2 + C4HVP2 | → | MCRHN | $$\mathrm{scaled_M}\left(A=0.005419926684000001\right)$$ |
R564 | MCRENOL + OH | → | 0.75 CO + 0.653 PYAC + 0.097 MCO3 + 0.063 MVKHCB + 0.187 MGLY + 0.715 HO2 + 0.097 CO2 + 0.285 OH + 0.187 HCOOH | $$\mathrm{arrhenius_M}\left(A=0.00223421422196, B=983.0\right)$$ |
R565 | MVKPC + OH | → | CO + MGLY + OH | $$\mathrm{arrhenius_M}\left(A=0.00301107038, B=470.0\right)$$ |
R566 | MVKDH + OH | → | 0.6 MVKHC + 0.4 MVKHCB + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0052392624612, B=70.0\right)$$ |
R567 | MVKHCB + OH | → | MGLY + OH | $$\mathrm{arrhenius_M}\left(A=0.00301107038, B=470.0\right)$$ |
R568 | MVKHC + OH | → | 2 CO + MCO3 + HO2 | $$\mathrm{arrhenius_M}\left(A=0.001204428152, B=70.0\right)$$ |
R569 | MCRDH + OH | → | 0.84 CO + 0.16 MVKHCB + HO2 + 0.84 HAC | $$\mathrm{arrhenius_M}\left(A=0.014453137824000001, B=70.0\right)$$ |
R570 | MVKOHOO + HO2 | → | 0.36 MCO3 + 0.335 MVKHP + 0.255 MVKHC + 0.36 GLYC + 0.05 MGLY + 0.305 HO2 + 0.665 OH + 0.05 CH2O | $$\mathrm{arrhenius_M}\left(A=0.000127669384112, B=1300.0\right)$$ |
R571 | MVKOHOO + NO | → | 0.758 MCO3 + 0.758 GLYC + NO2 + 0.242 MGLY + 0.242 HO2 + 0.242 CH2O | $$\frac{\frac{0.0074355974177796 \cdot e^{\frac{350.0}{T}} \cdot num_{density}}{4.573 + \frac{0.04859009962100446 \cdot num_{density} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}\right)^{2}}}}{1.0 + 0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}}} + \left |
R572 | MVKOHOO + NO | → | 0.438 MVKN | $$\mathrm{troe_clamp_jpl_alt}\left(A=7.90064332542301 \times 10^{-5}, Fc=0.04859009962100446, B=4.573\right)$$ |
R573 | MCROHOO + HO2 | → | 0.59 O2 + 0.507 CO + 0.083 CH2O + 0.083 MGLY + 0.507 HO2 + 0.59 OH + 0.41 MCRHP + 0.507 HAC | $$\mathrm{arrhenius_M}\left(A=0.000127669384112, B=1300.0\right)$$ |
R574 | MACR1OO + HO2 | → | 0.325 CO + 0.5 MACR1OOH + 0.325 MO2 + 0.175 MCO3 + 0.13 O3 + 0.5 CO2 + 0.5 OH + 0.5 CH2O | $$\mathrm{arrhenius_M}\left(A=0.00189095219864, B=580.0\right)$$ |
R575 | MACR1OOH + OH | → | 0.488 CO + 0.087 MCO3 + 0.162 MO2 + 0.165 MACR1OO + 0.098 HMML + 0.415 CO2 + 0.585 OH + 0.488 HAC + 0.25 CH2O | $$\mathrm{scaled_M}\left(A=0.0099967536616\right)$$ |
R576 | MCROHOO | → | CO + OH + HAC | $$\mathrm{arrhenius}\left(A=29000000.0, B=-5297.0\right)$$ |
R577 | NO + MCROHOO | → | 0.86 CO + NO2 + 0.14 MGLY + 0.86 HO2 + 0.86 HAC + 0.14 CH2O | $$\frac{\frac{0.004853544345522 \cdot e^{\frac{350.0}{T}} \cdot num_{density}}{2.985 + \frac{0.04859009962100446 \cdot num_{density} \cdot 0.41^{\frac{1.0}{1.0 + \log_{10}\left(0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}\right)^{2}}}}{1.0 + 0.11300023167675458 \cdot num_{density} \cdot \frac{298.0}{T}^{8}}} + \left |
R578 | NO + MCROHOO | → | MCRHN | $$\mathrm{troe_clamp_jpl_alt}\left(A=7.90064332542301 \times 10^{-5}, Fc=0.04859009962100446, B=2.985\right)$$ |
R579 | NO + MACR1OO | → | 0.65 CO + 0.35 MCO3 + 0.65 MO2 + NO2 + CO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0052392624612, B=290.0\right)$$ |
R580 | MACR1OO + NO2 | → | MPAN | $$\frac{1.0571137948401692 \times 10^{-12} \cdot 10.0^{\frac{-0.5228787452803376}{1.0 + \frac{\log_{10}\left(\frac{1.560336670916 \times 10^{-10} \cdot num_{density}}{1.125 \times 10^{-11} \cdot \frac{T}{300}^{5.765000000000001}}\right)}{1.4140560065060288}^{2}}} \cdot num_{density}^{2}}{\frac{T}{300}^{7.975} \cdot \left(\frac{1.125 \times 10^{-11}}{\frac{T}{300}^{1.105}} + \frac{1.560336670916 \times 10^{-10} \cdot num_{density}}{\frac{T}{300}^{6.87}}\right)}$$ |
R581 | MACRNO2 + HO2 | → | 0.13 O3 + 0.13 MCRHNB + 0.37 MCRHN + 0.5 NO2 + 0.5 CO2 + 0.5 OH + 0.5 HAC | $$\mathrm{arrhenius_M}\left(A=0.0018909521986400003, B=580.0\right)$$ |
R582 | NO + MACRNO2 | → | 2 NO2 + CO2 + HAC | $$\mathrm{arrhenius_M}\left(A=0.00451660557, B=290.0\right)$$ |
R583 | MACRNO2 + NO2 | → | MPAN + NO2 | $$\frac{1.0571137948401692 \times 10^{-12} \cdot 10.0^{\frac{-0.5228787452803376}{1.0 + \frac{\log_{10}\left(\frac{1.560336670916 \times 10^{-10} \cdot num_{density}}{1.125 \times 10^{-11} \cdot \frac{T}{300}^{5.765000000000001}}\right)}{1.4140560065060288}^{2}}} \cdot num_{density}^{2}}{\frac{T}{300}^{7.975} \cdot \left(\frac{1.125 \times 10^{-11}}{\frac{T}{300}^{1.105}} + \frac{1.560336670916 \times 10^{-10} \cdot num_{density}}{\frac{T}{300}^{6.87}}\right)}$$ |
R584 | MACRNO2 + NO3 | → | 2 NO2 + CO2 + HAC | $$\mathrm{scaled_M}\left(A=0.002408856304\right)$$ |
R585 | MO2 + MACRNO2 | → | 0.3 MCRHNB + 0.7 NO2 + 0.7 HO2 + 0.7 CO2 + 0.7 HAC + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0017464208204000002, B=500.0\right)$$ |
R586 | MPAN | → | MACR1OO + NO2 | $$\mathrm{arrhenius}\left(A=1.58 \times 10^{16}, B=-13500.0\right)$$ |
R587 | MPAN + OH | → | 0.25 CO + NO3 + 0.75 HMML + 0.25 HAC | $$\mathrm{scaled_M}\left(A=0.017464208204\right)$$ |
R588 | HMML + OH | → | 0.3 MCO3 + 0.7 MGLY + 0.3 HCOOH + 0.7 OH | $$\mathrm{scaled_M}\left(A=0.00260758694908\right)$$ |
R589 | ICPDH + OH | → | 0.15 MCRDH + CO + 0.35 MVKDH + 0.5 HO2 + 0.5 OH + 0.5 MCRHP | $$\mathrm{scaled_M}\left(A=0.006022140759999999\right)$$ |
R590 | IDCHP + OH | → | 0.444 MVKPC + 0.888 CO + 0.032 IEPOXBOO + 0.318 MVKHC + 0.126 MVKHCB + 0.444 HO2 + 0.444 OH + 0.08 IEPOXAOO | $$\mathrm{scaled_M}\left(A=0.013549816710000002\right)$$ |
R591 | IDHDP + OH | → | 0.333 ICPDH + 0.667 IDHPE + OH | $$\mathrm{scaled_M}\left(A=0.001806642228\right)$$ |
R592 | IDHPE + OH | → | 0.429 MVKHP + CO2 + OH + 0.571 MCRHP | $$\mathrm{scaled_M}\left(A=0.001806642228\right)$$ |
R593 | OH + ITCN | → | CO + 0.75 MVKHP + NO2 + 0.25 MCRHP | $$\mathrm{scaled_M}\left(A=0.006022140759999999\right)$$ |
R594 | ITHN + OH | → | 0.022 MCRENOL + 0.022 CH2O + 0.041 ICNOO + 0.022 NO2 + 0.62 HO2 + 0.3 OH + 0.92 ITCN + 0.037 IDHNBOO | $$\mathrm{scaled_M}\left(A=0.001806642228\right)$$ |
R595 | NO3 + ETHLN | → | MCO3 + HNO3 + NO2 | $$\mathrm{arrhenius_M}\left(A=0.0008430997064000001, B=-1860.0\right)$$ |
R596 | PYAC + OH | → | MCO3 + CO2 | $$\mathrm{scaled_M}\left(A=0.0004817712608\right)$$ |
R597 | HMHP + OH | → | 0.5 HO2 + 0.5 HCOOH + 0.5 OH + 0.5 CH2O | $$\mathrm{arrhenius_M}\left(A=0.0007828782988, B=500.0\right)$$ |
R598 | MCO3 + HO2 | → | 0.13 O3 + 0.5 MO2 + 0.37 MAP + 0.13 ACTA + 0.5 CO2 + 0.5 OH | $$\mathrm{arrhenius_M}\left(A=0.0018909521986400003, B=580.0\right)$$ |
R599 | HPETHNL + OH | → | CO + OH + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0009334318178, B=340.0\right)$$ |
R600 | HPETHNL + OH | → | GLYX + OH | $$\mathrm{scaled_M}\left(A=0.017524429611599997\right)$$ |
R601 | NAP + OH | → | NRO2 + OH | $$\mathrm{arrhenius_M}\left(A=0.0093945395856, B=117.0\right)$$ |
R602 | NRO2 + HO2 | → | LNRO2H + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0008430997064000001, B=700.0\right)$$ |
R603 | NO + NRO2 | → | NO + LNRO2N | $$\mathrm{arrhenius_M}\left(A=0.0015657565976, B=350.0\right)$$ |
R604 | O3 + C2H4 | → | CH2OO + CH2O | $$\mathrm{arrhenius_M}\left(A=5.4801480916 \times 10^{-6}, B=-2580.0\right)$$ |
R605 | C2H4 + OH | → | ETOO | $$\frac{0.039892797266578704 \cdot e^{0.0} \cdot 0.5^{\frac{1.0}{1.0 + \log_{10}\left(7.886136709523809 \cdot \frac{300}{T}^{1.75} \cdot num_{density}\right)^{2}}} \cdot num_{density}^{2} \cdot \frac{300}{T}^{3.5}}{1.0 + 7.886136709523809 \cdot \frac{300}{T}^{1.75} \cdot num_{density}}$$ |
R606 | C2H2 + OH | → | 0.636 GLYX + 0.364 CO + 0.364 HO2 + 0.364 HCOOH + 0.636 OH | $$\frac{0.0019946398633289356 \cdot e^{0.0} \cdot 0.5^{\frac{1.0}{1.0 + \log_{10}\left(3.9905752024096386 \cdot \frac{300}{T}^{2.0} \cdot num_{density}\right)^{2}}} \cdot num_{density}^{2}}{1.0 + 3.9905752024096386 \cdot \frac{300}{T}^{2.0} \cdot num_{density}}$$ |
R607 | ETOO + HO2 | → | ETHP | $$\mathrm{arrhenius_M}\left(A=9.2138753628 \times 10^{-5}, B=1300.0\right)$$ |
R608 | NO + ETOO | → | 0.005 ETHN + 0.995 ETO + 0.995 NO2 | $$\mathrm{arrhenius_M}\left(A=0.0016259780051999999, B=360.0\right)$$ |
R609 | NO3 + ETOO | → | ETO + NO2 | $$\mathrm{scaled_M}\left(A=0.0013850923748000002\right)$$ |
R610 | MO2 + ETOO | → | 0.2 ETHP + 0.6 ETO + 0.2 GLYC + 0.6 HO2 + 0.8 CH2O + 0.2 MOH | $$\mathrm{scaled_M}\left(A=0.0003613284456\right)$$ |
R611 | ETO | → | HO2 + 2 CH2O | $$\mathrm{arrhenius}\left(A=95000000000000.0, B=-5988.0\right)$$ |
R612 | ETO + O2 | → | GLYC + HO2 | $$\mathrm{arrhenius_M}\left(A=1.50553519 \times 10^{-5}, B=-300.0\right)$$ |
R613 | ETHN + OH | → | GLYC + NO2 | $$\mathrm{scaled_M}\left(A=0.0005058598238399999\right)$$ |
R614 | ETHP + OH | → | ETOO | $$\mathrm{arrhenius_M}\left(A=0.0011442067444000002, B=190.0\right)$$ |
R615 | ETHP + OH | → | GLYC + OH | $$\mathrm{scaled_M}\left(A=0.008310554248800001\right)$$ |
R616 | BENZ + OH | → | 0.18 GLYX + 0.2 CO + 0.46 AROMRO2 + BRO2 + 0.54 PHEN + 0.54 HO2 + 0.56 AROMP4 | $$\mathrm{arrhenius_M}\left(A=0.0013850923748, B=-193.0\right)$$ |
R617 | TOLU + OH | → | 0.12 GLYX + TRO2 + 0.06 BALD + 0.04 MVK + 0.19 CSL + 0.3 AROMP5 + 0.27 CO + 0.19 HO2 + 0.81 AROMRO2 + 0.12 MGLY + 0.68 AROMP4 | $$\mathrm{arrhenius_M}\left(A=0.0010839853368, B=340.0\right)$$ |
R618 | OH + XYLE | → | 0.1 GLYX + 0.06 BALD + 0.04 MVK + XRO2 + 0.15 CSL + 0.56 AROMP5 + 0.3 CO + 0.15 HO2 + 0.45 RCOOH + 0.85 AROMRO2 + 0.2 MGLY + 0.28 AROMP4 | $$\mathrm{scaled_M}\left(A=0.010237639292\right)$$ |
R619 | AROMRO2 + HO2 | → | HO2 + OH | $$\mathrm{arrhenius_M}\left(A=0.00014370032281512, B=1300.0\right)$$ |
R620 | NO + AROMRO2 | → | NO2 + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0015657565976, B=365.0\right)$$ |
R621 | NO3 + AROMRO2 | → | NO2 + HO2 | $$\mathrm{scaled_M}\left(A=0.0013850923748000002\right)$$ |
R622 | MO2 + AROMRO2 | → | 2 HO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=1.0237639292 \times 10^{-5}, B=220.0\right)$$ |
R623 | MCO3 + AROMRO2 | → | MO2 + HO2 | $$\mathrm{arrhenius_M}\left(A=2.5292991192 \times 10^{-5}, B=220.0\right)$$ |
R624 | PHEN + OH | → | 0.06 GLYX + 0.8 MCT + 0.06 BENZO + 0.14 AROMRO2 + 0.8 HO2 + 0.18 AROMP4 | $$\mathrm{arrhenius_M}\left(A=0.00028304061572, B=1220.0\right)$$ |
R625 | NO3 + PHEN | → | 0.742 HNO3 + 0.742 BENZO + 0.258 NPHEN | $$\mathrm{scaled_M}\left(A=0.0022884134888\right)$$ |
R626 | CSL + OH | → | 0.727 MCT + 0.2 AROMRO2 + 0.073 BENZO + 0.727 HO2 + 0.44 AROMP5 | $$\mathrm{scaled_M}\left(A=0.028304061572\right)$$ |
R627 | CSL + NO3 | → | 0.5 HNO3 + 0.2 AROMRO2 + 0.3 BENZO + 0.5 NPHEN + 0.44 AROMP5 | $$\mathrm{scaled_M}\left(A=0.008430997064\right)$$ |
R628 | MCT + OH | → | 0.3 BENZO + 0.7 AROMRO2 + 1.05 AROMP4 | $$\mathrm{scaled_M}\left(A=0.012044281519999998\right)$$ |
R629 | O3 + MCT | → | GLYC + HO2 + OH + AROMP4 | $$\mathrm{scaled_M}\left(A=5.540369499200001 \times 10^{-9}\right)$$ |
R630 | MCT + NO3 | → | 0.5 HNO3 + 0.3 BENZO + 0.2 AROMRO2 + 0.5 NPHEN + 0.3 AROMP4 | $$\mathrm{scaled_M}\left(A=0.05961919352399999\right)$$ |
R631 | BALD + OH | → | BZCO3 | $$\mathrm{arrhenius_M}\left(A=0.0035530630484, B=225.0\right)$$ |
R632 | BALD + NO3 | → | HNO3 + BZCO3 | $$\mathrm{scaled_M}\left(A=1.4453137823999998 \times 10^{-6}\right)$$ |
R633 | HO2 + BZCO3 | → | 0.2 BENZO2 + 0.15 O3 + 0.15 BENZP + 0.65 BZCO3H + 0.35 CO2 + 0.2 OH | $$\mathrm{arrhenius_M}\left(A=0.006624354836000001, B=340.0\right)$$ |
R634 | NO + BZCO3 | → | BENZO2 + NO2 + CO2 | $$\mathrm{arrhenius_M}\left(A=0.00451660557, B=290.0\right)$$ |
R635 | NO2 + BZCO3 | → | BZPAN | $$\frac{1.3382220173970497 \times 10^{-12} \cdot 10.0^{\frac{-0.5228787452803376}{1.0 + \frac{\log_{10}\left(\frac{1.97526216928 \times 10^{-10} \cdot num_{density}}{1.125 \times 10^{-11} \cdot \frac{T}{300}^{5.765000000000001}}\right)}{1.4140560065060288}^{2}}} \cdot num_{density}^{2}}{\frac{T}{300}^{7.975} \cdot \left(\frac{1.125 \times 10^{-11}}{\frac{T}{300}^{1.105}} + \frac{1.97526216928 \times 10^{-10} \cdot num_{density}}{\frac{T}{300}^{6.87}}\right)}$$ |
R636 | BZCO3H + OH | → | BZCO3 | $$\mathrm{scaled_M}\left(A=0.00280631759416\right)$$ |
R637 | BZPAN | → | NO2 + BZCO3 | $$\frac{8.432803706228 \times 10^{29} \cdot e^{\frac{-14100.0}{T}} \cdot e^{\frac{-10100.0}{T}} \cdot 10.0^{\frac{-0.5228787452803376}{1.0 + \frac{\log_{10}\left(\frac{6624354836000.0 \cdot e^{\frac{-10100.0}{T}} \cdot num_{density}}{1.9 \times 10^{17} \cdot e^{\frac{-14100.0}{T}}}\right)}{1.4140560065060288}^{2}}} \cdot num_{density}}{1.9 \times 10^{17} \cdot e^{\frac{-14100.0}{T}} + 6624354836000.0 \cdot e^{\frac{-10100.0}{T}} \cdot num_{density}}$$ |
R638 | OH + BZPAN | → | BENZP + NO2 + CO2 | $$\mathrm{scaled_M}\left(A=0.00063834692056\right)$$ |
R639 | BENZO2 + NO2 | → | NO3 + BENZO | $$\mathrm{scaled_M}\left(A=0.004215498532\right)$$ |
R640 | BENZO2 + NO | → | BENZO + NO2 | $$\mathrm{arrhenius_M}\left(A=0.00160791158292, B=365.0\right)$$ |
R641 | BENZO2 + NO3 | → | BENZO + NO2 | $$\mathrm{scaled_M}\left(A=0.0013850923748000002\right)$$ |
R642 | BENZO2 + HO2 | → | BENZP | $$\mathrm{arrhenius_M}\left(A=0.00013489595302400002, B=1300.0\right)$$ |
R643 | BENZP + OH | → | BENZO2 | $$\mathrm{scaled_M}\left(A=0.0021679706736\right)$$ |
R644 | O3 + BENZO | → | BENZO2 | $$\mathrm{scaled_M}\left(A=0.000172233225736\right)$$ |
R645 | BENZO + NO2 | → | NPHEN | $$\mathrm{scaled_M}\left(A=0.0012526052780800002\right)$$ |
R646 | NPHEN + OH | → | 0.5 R4N1 + 0.5 NO2 + AROMP4 | $$\mathrm{scaled_M}\left(A=0.00208968284372\right)$$ |
R647 | NO3 + NPHEN | → | 0.5 R4N1 + 0.5 HNO3 + NO2 + AROMP4 | $$\mathrm{scaled_M}\left(A=0.0015657565975999998\right)$$ |
R648 | BENZO2 + MO2 | → | BENZO + HO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.000160791158292, B=365.0\right)$$ |
R649 | MO2 + BZCO3 | → | BENZO2 + HO2 + CO2 + CH2O | $$\mathrm{arrhenius_M}\left(A=0.0016079115829200003, B=365.0\right)$$ |
R650 | AROMP4 + OH | → | 0.6 GLYX + 0.25 CO + 0.45 RCOOH + 0.33 RCO3 + 0.33 HO2 + 0.25 HCOOH + 0.25 OH | $$\mathrm{scaled_M}\left(A=0.030110703800000003\right)$$ |
R651 | O3 + AROMP4 | → | 0.6 GLYX + 0.5 CO + 0.9 GLYC + 0.1 HO2 + 0.5 HCOOH + 0.1 OH | $$\mathrm{scaled_M}\left(A=4.817712608 \times 10^{-7}\right)$$ |
R652 | AROMP4 | → | 0.2 GLYX + 1.2 RCHO + 0.2 HO2 | $$0.0015$$ |
R653 | AROMP5 + OH | → | 0.25 CO + 0.52 RCOOH + 0.33 RCO3 + 0.6 MGLY + 0.33 HO2 + 0.15 ACTA + 0.1 HCOOH + 0.25 OH | $$\mathrm{scaled_M}\left(A=0.030110703800000003\right)$$ |
R654 | O3 + AROMP5 | → | 0.5 CO + 0.95 GLYC + 0.6 MGLY + 0.1 HO2 + 0.3 ACTA + 0.2 HCOOH + 0.1 OH | $$\mathrm{scaled_M}\left(A=4.817712608 \times 10^{-7}\right)$$ |
R655 | AROMP5 | → | 1.2 RCHO + 0.2 R4O2 + 0.2 MGLY + 0.2 HO2 | $$0.0015$$ |
R656 | BRO2 + HO2 | → | LBRO2H + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0008430997064000001, B=700.0\right)$$ |
R657 | NO + BRO2 | → | NO + LBRO2N | $$\mathrm{arrhenius_M}\left(A=0.0015657565976, B=350.0\right)$$ |
R658 | TRO2 + HO2 | → | LTRO2H + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0008430997064000001, B=700.0\right)$$ |
R659 | NO + TRO2 | → | LTRO2N + NO | $$\mathrm{arrhenius_M}\left(A=0.0015657565976, B=350.0\right)$$ |
R660 | XRO2 + HO2 | → | LXRO2H + HO2 | $$\mathrm{arrhenius_M}\left(A=0.0008430997064000001, B=700.0\right)$$ |
R661 | NO + XRO2 | → | NO + LXRO2N | $$\mathrm{arrhenius_M}\left(A=0.0015657565976, B=350.0\right)$$ |
R662 | MO2 + NO3 | → | NO2 + HO2 + CH2O | $$\mathrm{scaled_M}\left(A=0.0007226568912\right)$$ |
R663 | O3 | → | O2 + O | $$j_{2}$$ |
R664 | O3 | → | O1D + O2 | $$j_{3}$$ |
R665 | O2 | → | 2 O | $$j_{1}$$ |
R666 | NO2 | → | NO + O | $$j_{11}$$ |
R667 | H2O2 | → | 2 OH | $$j_{9}$$ |
R668 | MP | → | HO2 + OH + CH2O | $$j_{10}$$ |
R669 | CH2O | → | CO + HO2 + H | $$j_{7}$$ |
R670 | CH2O | → | CO + H2 | $$j_{8}$$ |
R671 | HNO3 | → | NO2 + OH | $$j_{16}$$ |
R672 | HNO2 | → | NO + OH | $$j_{15}$$ |
R673 | HNO4 | → | NO3 + OH | $$j_{17}$$ |
R674 | HNO4 | → | NO2 + HO2 | $$j_{18}$$ |
R675 | NO3 | → | NO2 + O | $$j_{12}$$ |
R676 | NO3 | → | NO + O2 | $$j_{13}$$ |
R677 | N2O5 | → | NO3 + NO2 | $$j_{14}$$ |
R678 | ALD2 | → | 0.88 CO + 0.88 MO2 + 0.12 MCO3 + HO2 | $$j_{61}$$ |
R679 | ALD2 | → | CO + CH4 | $$j_{62}$$ |
R680 | PAN | → | 0.7 MCO3 + 0.3 MO2 + 0.3 NO3 + 0.7 NO2 | $$j_{59}$$ |
R681 | RCHO | → | CO + 0.07 A3O2 + 0.27 B3O2 + HO2 + 0.5 OTHRO2 | $$j_{70}$$ |
R682 | ACET | → | MCO3 + MO2 | $$j_{76}$$ |
R683 | ACET | → | CO + 2 MO2 | $$j_{77}$$ |
R684 | MEK | → | 0.06 A3O2 + 0.85 MCO3 + 0.15 MO2 + 0.15 RCO3 + 0.23 B3O2 + 0.425 OTHRO2 | $$j_{69}$$ |
R685 | GLYC | → | CO + 1.73 HO2 + 0.07 OH + 0.9 CH2O + 0.1 MOH | $$j_{68}$$ |
R686 | GLYX | → | 2 CO + 2 HO2 | $$j_{72}$$ |
R687 | GLYX | → | 2 CO + H2 | $$j_{73}$$ |
R688 | GLYX | → | CO + CH2O | $$j_{74}$$ |
R689 | MGLY | → | CO + MCO3 + HO2 | $$j_{71}$$ |
R690 | MVK | → | CO + PRPE | $$j_{63}$$ |
R691 | MVK | → | CO + MCO3 + HO2 + CH2O | $$j_{64}$$ |
R692 | MVK | → | MO2 + RCO3 | $$j_{65}$$ |
R693 | MACR | → | CO + MCO3 + HO2 + CH2O | $$j_{66}$$ |
R694 | HAC | → | MCO3 + HO2 + CH2O | $$j_{75}$$ |
R695 | PRPN | → | RCHO + NO2 + HO2 + OH | $$j_{79}$$ |
R696 | ETP | → | ALD2 + HO2 + OH | $$j_{80}$$ |
R697 | RA3P | → | RCHO + HO2 + OH | $$j_{81}$$ |
R698 | RB3P | → | ACET + HO2 + OH | $$j_{82}$$ |
R699 | R4P | → | RCHO + HO2 + OH | $$j_{83}$$ |
R700 | PP | → | ALD2 + HO2 + OH + CH2O | $$j_{84}$$ |
R701 | RP | → | ALD2 + HO2 + OH | $$j_{85}$$ |
R702 | R4N2 | → | 0.05 A3O2 + 0.32 ACET + 0.19 MEK + 0.18 MO2 + 0.32 ALD2 + 0.13 RCHO + NO2 + 0.18 B3O2 + 0.27 HO2 + 0.32 OTHRO2 | $$j_{98}$$ |
R703 | MAP | → | MO2 + OH | $$j_{99}$$ |
R704 | Br2 | → | 2 Br | $$j_{23}$$ |
R705 | BrO | → | Br + O | $$j_{28}$$ |
R706 | HOBr | → | Br + OH | $$j_{32}$$ |
R707 | BrNO3 | → | Br + NO3 | $$j_{29}$$ |
R708 | BrNO3 | → | BrO + NO2 | $$j_{30}$$ |
R709 | BrNO2 | → | Br + NO2 | $$j_{31}$$ |
R710 | CHBr3 | → | 3 Br | $$j_{56}$$ |
R711 | CH2Br2 | → | 2 Br | $$j_{55}$$ |
R712 | CH3Br | → | MO2 + Br | $$j_{50}$$ |
R713 | CH3Cl | → | MO2 + Cl | $$j_{43}$$ |
R714 | CH2Cl2 | → | 2 Cl | $$j_{45}$$ |
R715 | BrCl | → | Br + Cl | $$j_{33}$$ |
R716 | Cl2 | → | 2 Cl | $$j_{22}$$ |
R717 | ClO | → | Cl + O | $$j_{27}$$ |
R718 | OClO | → | ClO + O | $$j_{25}$$ |
R719 | Cl2O2 | → | Cl + ClOO | $$j_{26}$$ |
R720 | ClNO2 | → | NO2 + Cl | $$j_{21}$$ |
R721 | ClNO3 | → | NO3 + Cl | $$j_{19}$$ |
R722 | ClNO3 | → | ClO + NO2 | $$j_{20}$$ |
R723 | HOCl | → | OH + Cl | $$j_{24}$$ |
R724 | CH3CCl3 | → | 3 Cl | $$j_{44}$$ |
R725 | CCl4 | → | 4 Cl | $$j_{42}$$ |
R726 | CFC11 | → | 3 Cl | $$j_{37}$$ |
R727 | CFC12 | → | 2 Cl | $$j_{38}$$ |
R728 | CFC113 | → | 3 Cl | $$j_{39}$$ |
R729 | CFC114 | → | 2 Cl | $$j_{40}$$ |
R730 | CFC115 | → | Cl | $$j_{41}$$ |
R731 | HCFC123 | → | 2 Cl | $$j_{47}$$ |
R732 | HCFC141b | → | 2 Cl | $$j_{48}$$ |
R733 | HCFC142b | → | Cl | $$j_{49}$$ |
R734 | HCFC22 | → | Cl | $$j_{46}$$ |
R735 | H1301 | → | Br | $$j_{53}$$ |
R736 | H1211 | → | Br + Cl | $$j_{51}$$ |
R737 | H2402 | → | 2 Br | $$j_{54}$$ |
R738 | ClOO | → | Cl + O2 | $$j_{101}$$ |
R739 | I2 | → | 2 I | $$j_{114}$$ |
R740 | HOI | → | I + OH | $$j_{115}$$ |
R741 | IO | → | I + O | $$j_{116}$$ |
R742 | OIO | → | I + O2 | $$j_{117}$$ |
R743 | INO | → | NO + I | $$j_{118}$$ |
R744 | IONO | → | I + NO2 | $$j_{119}$$ |
R745 | IONO2 | → | I + NO3 | $$j_{120}$$ |
R746 | I2O2 | → | I + OIO | $$j_{121}$$ |
R747 | CH3I | → | I | $$j_{122}$$ |
R748 | CH2I2 | → | 2 I | $$j_{123}$$ |
R749 | CH2ICl | → | I + Cl | $$j_{124}$$ |
R750 | CH2IBr | → | I + Br | $$j_{125}$$ |
R751 | I2O4 | → | 2 OIO | $$j_{126}$$ |
R752 | I2O3 | → | IO + OIO | $$j_{127}$$ |
R753 | IBr | → | I + Br | $$j_{128}$$ |
R754 | ICl | → | I + Cl | $$j_{129}$$ |
R755 | MPN | → | NO3 + HO2 + CH2O | $$j_{103}$$ |
R756 | MPN | → | MO2 + NO2 | $$j_{104}$$ |
R757 | ATOOH | → | MCO3 + OH + CH2O | $$j_{97}$$ |
R758 | N2O | → | O1D + N2 | $$j_{36}$$ |
R759 | OCS | → | CO + SO2 | $$j_{34}$$ |
R760 | SO4 | → | SO2 + 2 OH | $$j_{100}$$ |
R761 | NO | → | N + O | $$j_{6}$$ |
R762 | PIP | → | RCHO + HO2 + OH | $$j_{105}$$ |
R763 | ETHLN | → | CO + NO2 + HO2 + CH2O | $$j_{107}$$ |
R764 | MONITS | → | MEK + NO2 | $$j_{111}$$ |
R765 | MONITU | → | RCHO + NO2 | $$j_{112}$$ |
R766 | HONIT | → | NO2 + HAC | $$j_{113}$$ |
R767 | NITs | → | HNO2 | $$j_{130}$$ |
R768 | NITs | → | NO2 | $$j_{131}$$ |
R769 | NIT | → | HNO2 | $$j_{132}$$ |
R770 | NIT | → | NO2 | $$j_{133}$$ |
R771 | MENO3 | → | NO2 + HO2 + CH2O | $$j_{134}$$ |
R772 | ETNO3 | → | ALD2 + NO2 + HO2 | $$j_{135}$$ |
R773 | IPRNO3 | → | ACET + NO2 + HO2 | $$j_{136}$$ |
R774 | NPRNO3 | → | RCHO + NO2 + HO2 | $$j_{137}$$ |
R775 | HMHP | → | 2 OH + CH2O | $$j_{86}$$ |
R776 | HPETHNL | → | CO + HO2 + OH + CH2O | $$j_{87}$$ |
R777 | PYAC | → | MCO3 + HO2 + CO2 | $$j_{88}$$ |
R778 | PROPNN | → | MCO3 + NO2 + CH2O | $$j_{89}$$ |
R779 | MVKHC | → | CO + MCO3 + HO2 + CH2O | $$j_{90}$$ |
R780 | MVKHCB | → | 0.5 GLYX + 0.5 CO + 0.5 MCO3 + 0.5 MGLY + 1.5 HO2 | $$j_{91}$$ |
R781 | MVKHP | → | 0.53 MCO3 + 0.53 GLYC + 0.47 MGLY + 0.47 HO2 + OH + 0.47 CH2O | $$j_{92}$$ |
R782 | MVKPC | → | 0.429 GLYX + 0.571 CO + 0.429 MCO3 + 0.571 MGLY + 0.571 HO2 + OH | $$j_{93}$$ |
R783 | MCRENOL | → | 0.125 GLYX + 0.875 CO + 0.75 PYAC + 0.125 MCO3 + 0.125 MGLY + 0.125 HO2 + 1.75 OH | $$j_{94}$$ |
R784 | MCRHP | → | 0.77 CO + 0.23 MGLY + HO2 + OH + 0.77 HAC + 0.23 CH2O | $$j_{95}$$ |
R785 | MACR1OOH | → | 0.25 MACR1OOH + 0.488 MO2 + 0.262 MCO3 + 1.238 CO2 + 0.75 OH + 0.75 CH2O | $$j_{96}$$ |
R786 | MVKN | → | 1.01 MCO3 + 0.69 GLYC + 0.7 NO2 + 0.29 HO2 + 0.01 OH + 0.3 ETHLN | $$j_{108}$$ |
R787 | MCRHN | → | CO + NO2 + HO2 + HAC | $$j_{109}$$ |
R788 | MCRHNB | → | CO + PROPNN + HO2 + OH | $$j_{110}$$ |
R789 | RIPA | → | MVK + HO2 + OH + CH2O | $$j_{138}$$ |
R790 | RIPB | → | HO2 + MACR + OH + CH2O | $$j_{139}$$ |
R791 | RIPC | → | HO2 + HC5A + OH | $$j_{140}$$ |
R792 | RIPD | → | HO2 + HC5A + OH | $$j_{141}$$ |
R793 | HPALD1 | → | 0.112 MVKPC + 0.888 CO + 0.224 C4HVP1 + 0.112 HO2 + 1.662 OH + 0.552 MCRENOL + 0.112 IDC | $$j_{142}$$ |
R794 | HPALD2 | → | 0.182 MVKPC + 0.818 CO + 0.182 C4HVP2 + 0.182 HO2 + 1.637 OH + 0.455 MCRENOL + 0.182 IDC | $$j_{143}$$ |
R795 | HPALD3 | → | CO + MVK + HO2 + OH | $$j_{144}$$ |
R796 | HPALD4 | → | CO + HO2 + MACR + OH | $$j_{145}$$ |
R797 | IHN1 | → | 0.55 CO + 0.55 MVKHP + NO2 + 0.45 HO2 + 0.45 HC5A + 0.55 OH | $$j_{146}$$ |
R798 | IHN2 | → | MVK + NO2 + HO2 + CH2O | $$j_{147}$$ |
R799 | IHN3 | → | NO2 + HO2 + MACR + CH2O | $$j_{148}$$ |
R800 | IHN4 | → | 0.55 CO + NO2 + 0.45 HO2 + 0.45 HC5A + 0.55 OH + 0.55 MCRHP | $$j_{149}$$ |
R801 | INPB | → | 0.903 MVK + NO2 + 0.33 HO2 + 0.097 MACR + 0.67 OH + CH2O | $$j_{150}$$ |
R802 | INPD | → | 0.841 INA + 0.159 ICN + 0.159 HO2 + OH | $$j_{151}$$ |
R803 | INPD | → | 0.159 IHOO4 + 0.841 IHOO1 + NO2 | $$j_{152}$$ |
R804 | ICN | → | 0.162 MVKPC + 0.839 CO + 0.128 C4HVP2 + 0.068 C4HVP1 + NO2 + 0.161 HO2 + 0.645 OH + 0.481 MCRENOL + 0.161 IDC | $$j_{106}$$ |
R805 | IDN | → | 0.05 MVK + 0.5 GLYC + 1.555 NO2 + 0.227 INA + 0.228 ICN + 0.005 MACR + 0.228 HO2 + 0.5 HAC + 0.055 CH2O | $$j_{78}$$ |
R806 | ICPDH | → | 0.15 MCRDH + CO + 0.35 MVKDH + 1.5 HO2 + 0.5 OH + 0.5 MCRHP | $$j_{153}$$ |
R807 | ICPDH | → | 0.438 GLYX + 0.122 CO + 0.122 MCRDH + 0.088 GLYC + 0.1 MVKHCB + 0.088 MGLY + HO2 + OH + 0.1 CH2O + 0.438 HAC | $$j_{154}$$ |
R808 | IDHDP | → | 0.75 ICPDH + 0.25 GLYC + 0.75 HO2 + 1.25 OH + 0.25 HAC | $$j_{155}$$ |
R809 | IDHPE | → | 0.571 GLYX + 0.429 GLYC + 0.429 MGLY + HO2 + OH + 0.571 HAC | $$j_{156}$$ |
R810 | IDCHP | → | 0.454 MVKPC + CO + 0.391 MVKHC + 0.155 MVKHCB + 1.454 HO2 + 0.546 OH | $$j_{157}$$ |
R811 | ITHN | → | 0.15 ETHLN + 0.05 MVKN + 0.5 MCRHN + 0.3 GLYC + 0.3 NO2 + 0.7 HO2 + OH + 0.55 CH2O + 0.45 HAC | $$j_{158}$$ |
R812 | ITHN | → | 0.15 MCRHP + 0.05 ATOOH + 0.5 HPETHNL + 0.35 GLYC + NO2 + 0.7 HO2 + 0.3 OH + 0.8 HAC + 0.15 CH2O | $$j_{159}$$ |
R813 | ITCN | → | GLYC + NO2 + MGLY + OH | $$j_{160}$$ |
R814 | ITCN | → | CO + 0.5 MVKHP + NO2 + HO2 + 0.5 MCRHP | $$j_{161}$$ |
R815 | ETHP | → | ETO + OH | $$j_{162}$$ |
R816 | BALD | → | BENZO2 + CO + HO2 | $$j_{163}$$ |
R817 | BZCO3H | → | BENZO2 + CO2 + OH | $$j_{164}$$ |
R818 | BENZP | → | BENZO | $$j_{165}$$ |
R819 | NPHEN | → | HNO2 + CO + HO2 + CO2 + AROMP4 | $$j_{166}$$ |
Analyses
default_run_24h
24-hour integration of the 819-reaction GEOS-Chem fullchem mechanism from a polluted-urban initial state (T=298 K, num_density=40.9 mol/m^3, NO=10 ppb, NO2=20 ppb, ISOP=2 ppb, O3=70 ppb) with constant noon-rate NO2 photolysis (j_11=0.0149 1/s). Plots O3, NO, NO2 and OH vs time over the full diurnal window. After mdl-5xp routed render_example_plots through earthsci_ast.simulation.simulate (the canonical Python ESS runner), LSODA on the cse-compiled rhs handles the 24-h window in ~3-4 min wall on the workspace machine after the per-component compile cache (~80-130 s) is warm; the integrator’s adaptive timestep grows large once the HOx/NOx cycle reaches its photostationary balance, so wall cost grows sub-linearly with window length.
Time span: 0 → 86400




jNO2_photolysis_sweep
NO2-photolysis sensitivity at fixed polluted-urban initial composition (T=298 K, NO=10 ppb, NO2=20 ppb, ISOP=2 ppb, O3=70 ppb). Sweeps j_11 (the GEOS-Chem j-table index for NO2+hv → NO + O3P, see GasChem.jl/src/geoschem_fullchem.jl:3014) from dark (0 s^-1) through bright noon (~0.02 s^-1) on the same 8-grid superfast uses, integrates each grid point for 1800 s (30 min — long enough that the slow O3 budget responds to the sweep), then plots the t=1800 s OH and O3 against j_11. The HOx subsystem equilibrates on ≪ 1 s and OH tracks the photostationary value across the sweep; the O3 curve at 30 min captures the j_11 sensitivity of the net O3 photoproduction and is the canonical readout the bead acceptance asks for. Window choice is a wall-time/equilibration trade-off (mdl-1yv): longer windows than 30 min cost a near-proportional amount more wall in solve_ivp without materially changing the curve shape.
Time span: 0 → 1800
Swept over: j_11


temperature_sweep
Tropospheric-temperature sensitivity at fixed polluted-urban composition and noon photolysis (j_11=0.0149 1/s). Sweeps T across the same 9-grid superfast uses (240 K cold upper-troposphere → 320 K warm boundary layer) and integrates each grid point for 1800 s (30 min — long enough for the slow O3 budget to respond), then plots the t=1800 s OH and O3 against T. The bimolecular Arrhenius rates and termolecular falloff rates that dominate the HOx, NOx and O3 budgets all carry strong T dependence; the 30-min window lets the net effect on tropospheric O3 emerge in a single curve. Note: num_density is held at 40.9 mol/m³ (the polluted_urban value) rather than scaling with T at fixed P, so the sweep isolates the rate-coefficient T dependence from the P/T density dependence.
Time span: 0 → 1800
Swept over: T


Raw .esm
Raw .esm JSON (this component)
{
"tests": [
{
"id": "clean_troposphere",
"description": "Clean troposphere reference state (mdl-ode): T=285 K, P=101325 Pa (num_density=42.76 mol/m^3), daytime photolysis (j_NO2≈0.005 1/s), low NOx ([NO]=50 ppt, [NO2]=200 ppt), low VOC ([ISOP]=200 ppt), background O3=30 ppb. Expected values from GasChem.jl/GEOSChemGasPhase via scripts/migrations/reference_values_geoschem_fullchem.jl.\n\nTolerance rationale (rel=1e-3): GEOS-Chem fullchem (~819 reactions) — 1e-3 absorbs Rosenbrock23 (Julia upstream) ↔ LSODA (Python ESS, cse=False per mdl-w1j to dodge the lambdify memory cliff) integrator-truncation gap over 600 s of stiff tropospheric chemistry. Tighter bands fail on radicals (OH, HO2) where step-size adaptation diverges between solvers.",
"initial_conditions": {
"NO": 0.05,
"O3": 30,
"ISOP": 0.2,
"NO2": 0.2,
"HO2": 4e-06,
"OH": 4e-06
},
"parameter_overrides": {
"T": 285.0,
"j_11": 0.005,
"num_density": 42.76236658521454
},
"time_span": {
"start": 0.0,
"end": 600.0
},
"tolerance": {
"rel": 0.001
},
"assertions": [
{
"expected": 30.021507202440155,
"time": 60,
"variable": "O3"
},
{
"expected": 30.059782891958424,
"time": 300,
"variable": "O3"
},
{
"expected": 30.081351650954094,
"time": 600,
"variable": "O3"
},
{
"expected": 0.056261292743874675,
"time": 60,
"variable": "NO"
},
{
"expected": 0.06895299789814631,
"time": 300,
"variable": "NO"
},
{
"expected": 0.07080376502914437,
"time": 600,
"variable": "NO"
},
{
"expected": 0.1997288734188468,
"time": 60,
"variable": "NO2"
},
{
"expected": 0.1869322858454441,
"time": 300,
"variable": "NO2"
},
{
"expected": 0.18393323047892784,
"time": 600,
"variable": "NO2"
},
{
"expected": 7.127546111348581e-05,
"time": 60,
"variable": "OH"
},
{
"expected": 4.306079890618432e-05,
"time": 300,
"variable": "OH"
},
{
"expected": 2.952345186177213e-05,
"time": 600,
"variable": "OH"
},
{
"expected": 0.006917799697469085,
"time": 60,
"variable": "HO2"
},
{
"expected": 0.003844291413890031,
"time": 300,
"variable": "HO2"
},
{
"expected": 0.002541329931484023,
"time": 600,
"variable": "HO2"
},
{
"expected": 0.00021714713716613777,
"time": 60,
"variable": "HNO3"
},
{
"expected": 0.0009564303676699033,
"time": 300,
"variable": "HNO3"
},
{
"expected": 0.0015401638749305074,
"time": 600,
"variable": "HNO3"
},
{
"expected": 99.99794974554626,
"time": 60,
"variable": "CO"
},
{
"expected": 99.99081694528205,
"time": 300,
"variable": "CO"
},
{
"expected": 99.98510169650277,
"time": 600,
"variable": "CO"
},
{
"expected": 0.19782333952811232,
"time": 60,
"variable": "ISOP"
},
{
"expected": 0.18998726539919703,
"time": 300,
"variable": "ISOP"
},
{
"expected": 0.1834448451458803,
"time": 600,
"variable": "ISOP"
},
{
"expected": 0.003840021997886387,
"time": 60,
"variable": "CH2O"
},
{
"expected": 0.012665992649021306,
"time": 300,
"variable": "CH2O"
},
{
"expected": 0.020342870123543393,
"time": 600,
"variable": "CH2O"
}
]
},
{
"id": "polluted_urban",
"description": "Polluted urban reference state (mdl-ode): T=298 K, P=101325 Pa (num_density=40.89 mol/m^3), daytime (j_NO2≈0.0149 1/s), high NOx ([NO]=10 ppb, [NO2]=20 ppb), high VOC ([ISOP]=2 ppb), elevated O3=70 ppb. Expected values from GasChem.jl/GEOSChemGasPhase via scripts/migrations/reference_values_geoschem_fullchem.jl.\n\nTolerance rationale (rel=1e-3): see clean_troposphere — same Rosenbrock23 (Julia) ↔ LSODA (Python, cse=False per mdl-w1j) gap, applied to the high-NOx/high-VOC stiff regime where photochemical-smog cycling amplifies step-size-adaptation drift on radicals.",
"initial_conditions": {
"NO": 10,
"O3": 70,
"ISOP": 2,
"NO2": 20,
"HO2": 4e-06,
"OH": 4e-06
},
"parameter_overrides": {
"T": 298.0,
"j_11": 0.0149,
"num_density": 40.896894217403165
},
"time_span": {
"start": 0.0,
"end": 600.0
},
"tolerance": {
"rel": 0.001
},
"assertions": [
{
"expected": 69.31883937519184,
"time": 60,
"variable": "O3"
},
{
"expected": 69.31081873791699,
"time": 300,
"variable": "O3"
},
{
"expected": 69.33787271826904,
"time": 600,
"variable": "O3"
},
{
"expected": 9.264665131189348,
"time": 60,
"variable": "NO"
},
{
"expected": 9.220359406929552,
"time": 300,
"variable": "NO"
},
{
"expected": 9.20362431702005,
"time": 600,
"variable": "NO"
},
{
"expected": 20.730791172296005,
"time": 60,
"variable": "NO2"
},
{
"expected": 20.735871212364756,
"time": 300,
"variable": "NO2"
},
{
"expected": 20.705933661441637,
"time": 600,
"variable": "NO2"
},
{
"expected": 1.1080550093596504e-05,
"time": 60,
"variable": "OH"
},
{
"expected": 1.0206287503371786e-05,
"time": 300,
"variable": "OH"
},
{
"expected": 9.94758541244481e-06,
"time": 600,
"variable": "OH"
},
{
"expected": 6.928287204128085e-05,
"time": 60,
"variable": "HO2"
},
{
"expected": 6.327381532684154e-05,
"time": 300,
"variable": "HO2"
},
{
"expected": 6.119767909677837e-05,
"time": 600,
"variable": "HO2"
},
{
"expected": 0.008394270404176169,
"time": 60,
"variable": "HNO3"
},
{
"expected": 0.021858611681305096,
"time": 300,
"variable": "HNO3"
},
{
"expected": 0.03820935431224901,
"time": 600,
"variable": "HNO3"
},
{
"expected": 100.0005198544499,
"time": 60,
"variable": "CO"
},
{
"expected": 100.0039099246168,
"time": 300,
"variable": "CO"
},
{
"expected": 100.00807690100625,
"time": 600,
"variable": "CO"
},
{
"expected": 1.983295647838251,
"time": 60,
"variable": "ISOP"
},
{
"expected": 1.9343204199325714,
"time": 300,
"variable": "ISOP"
},
{
"expected": 1.8750170192861704,
"time": 600,
"variable": "ISOP"
},
{
"expected": 0.020977857964307078,
"time": 60,
"variable": "CH2O"
},
{
"expected": 0.059233811232337806,
"time": 300,
"variable": "CH2O"
},
{
"expected": 0.10556680478395639,
"time": 600,
"variable": "CH2O"
}
]
},
{
"id": "upper_troposphere",
"description": "Upper-troposphere / lower-stratosphere reference state (mdl-ode): T=220 K, P=20000 Pa (num_density=10.94 mol/m^3, ~12 km), reduced photolysis (j_NO2≈0.002 1/s), low NOx, no VOCs, O3=100 ppb. Expected values from GasChem.jl/GEOSChemGasPhase via scripts/migrations/reference_values_geoschem_fullchem.jl.\n\nTolerance rationale (rel=1e-3): see clean_troposphere — same Rosenbrock23 (Julia) ↔ LSODA (Python, cse=False per mdl-w1j) gap. The cold/low-pressure regime exercises a different temperature/falloff branch of the rate-law expressions but the truncation profile is comparable.",
"initial_conditions": {
"NO": 0.05,
"O3": 100,
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"reference": {
"notes": "source_ref: GasChem.jl src/geoschem_fullchem.jl\nGEOS-Chem fullchem gas-phase mechanism (~819 reactions, ~272 species). Migrated from GasChem.jl GEOSChemGasPhase via mtk2esm with sub-system rate-law inlining.\n\nPost-process workarounds applied (mdl-ode):\n - 64 max(expr, 0.0) rate clamps were rewritten to (a + abs(a))/2 by scripts/migrations/rewrite_max_in_esm.py because EarthSciASTCatalystExt._esm_to_symbolic does not accept the max op. File a follow-on bead in EarthSciAST to add max/min support and drop this stop-gap (same lifecycle as scripts/migrations/post_process_geoschem_fullchem.py).\n\nInline tests (mdl-ode): 3 pinned reference states (clean troposphere / polluted urban / upper troposphere) with expected species values from upstream GasChem.GEOSChemGasPhase via mtkcompile + Rosenbrock23. Generator: scripts/migrations/reference_values_geoschem_fullchem.jl. Cross-implementation tolerance rel=1e-3 (loose enough to absorb solver-tolerance and Catalyst path divergence between rxn_sys=false and the migrated flat ReactionSystem; tight enough to catch translation bugs). Reference timing on the workspace machine: GasChem build (rxn_sys=false, ODE-model path) = 1138 s, mtkcompile = 65.6 s, peak RSS during build ~8.2 GiB — inside the bead's combined 60-min / 32-GiB budget. The migration kept num_density (mol/m³) but not P; tests override num_density = P / (R_GAS · T) per state to maintain (T, P) consistency with the bead-pinned states."
},
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"species": "HO2"
},
{
"stoichiometry": 1,
"species": "OH"
},
{
"stoichiometry": 0.55,
"species": "CH2O"
},
{
"stoichiometry": 0.45,
"species": "HAC"
}
]
},
{
"substrates": [
{
"stoichiometry": 1,
"species": "ITHN"
}
],
"id": "R812",
"rate": "j_159",
"products": [
{
"stoichiometry": 0.15,
"species": "MCRHP"
},
{
"stoichiometry": 0.05,
"species": "ATOOH"
},
{
"stoichiometry": 0.5,
"species": "HPETHNL"
},
{
"stoichiometry": 0.35,
"species": "GLYC"
},
{
"stoichiometry": 1,
"species": "NO2"
},
{
"stoichiometry": 0.7,
"species": "HO2"
},
{
"stoichiometry": 0.3,
"species": "OH"
},
{
"stoichiometry": 0.8,
"species": "HAC"
},
{
"stoichiometry": 0.15,
"species": "CH2O"
}
]
},
{
"substrates": [
{
"stoichiometry": 1,
"species": "ITCN"
}
],
"id": "R813",
"rate": "j_160",
"products": [
{
"stoichiometry": 1,
"species": "GLYC"
},
{
"stoichiometry": 1,
"species": "NO2"
},
{
"stoichiometry": 1,
"species": "MGLY"
},
{
"stoichiometry": 1,
"species": "OH"
}
]
},
{
"substrates": [
{
"stoichiometry": 1,
"species": "ITCN"
}
],
"id": "R814",
"rate": "j_161",
"products": [
{
"stoichiometry": 1,
"species": "CO"
},
{
"stoichiometry": 0.5,
"species": "MVKHP"
},
{
"stoichiometry": 1,
"species": "NO2"
},
{
"stoichiometry": 1,
"species": "HO2"
},
{
"stoichiometry": 0.5,
"species": "MCRHP"
}
]
},
{
"substrates": [
{
"stoichiometry": 1,
"species": "ETHP"
}
],
"id": "R815",
"rate": "j_162",
"products": [
{
"stoichiometry": 1,
"species": "ETO"
},
{
"stoichiometry": 1,
"species": "OH"
}
]
},
{
"substrates": [
{
"stoichiometry": 1,
"species": "BALD"
}
],
"id": "R816",
"rate": "j_163",
"products": [
{
"stoichiometry": 1,
"species": "BENZO2"
},
{
"stoichiometry": 1,
"species": "CO"
},
{
"stoichiometry": 1,
"species": "HO2"
}
]
},
{
"substrates": [
{
"stoichiometry": 1,
"species": "BZCO3H"
}
],
"id": "R817",
"rate": "j_164",
"products": [
{
"stoichiometry": 1,
"species": "BENZO2"
},
{
"stoichiometry": 1,
"species": "CO2"
},
{
"stoichiometry": 1,
"species": "OH"
}
]
},
{
"substrates": [
{
"stoichiometry": 1,
"species": "BENZP"
}
],
"id": "R818",
"rate": "j_165",
"products": [
{
"stoichiometry": 1,
"species": "BENZO"
}
]
},
{
"substrates": [
{
"stoichiometry": 1,
"species": "NPHEN"
}
],
"id": "R819",
"rate": "j_166",
"products": [
{
"stoichiometry": 1,
"species": "HNO2"
},
{
"stoichiometry": 1,
"species": "CO"
},
{
"stoichiometry": 1,
"species": "HO2"
},
{
"stoichiometry": 1,
"species": "CO2"
},
{
"stoichiometry": 1,
"species": "AROMP4"
}
]
}
],
"species": {
"RIPB": {
"default": 0
},
"MVKOHOO": {
"default": 0
},
"IHN4": {
"default": 0
},
"CFC113": {
"default": 0
},
"LTRO2H": {
"default": 0
},
"IDHNDOO1": {
"default": 0
},
"HCFC123": {
"default": 0
},
"CH2I2": {
"default": 0
},
"N2O5": {
"default": 4e-06
},
"IBr": {
"default": 0
},
"XRO2": {
"default": 0
},
"CHCl3": {
"default": 0
},
"SALCCL": {
"default": 0
},
"MONITA": {
"default": 0
},
"ETP": {
"default": 0
},
"NO": {
"default": 0.0004
},
"PYAC": {
"default": 0
},
"CH4": {
"default": 1800
},
"C2H6": {
"default": 0
},
"CHBr3": {
"default": 0
},
"C2H2": {
"default": 0
},
"ETNO3": {
"default": 0
},
"HONIT": {
"default": 0
},
"IO": {
"default": 0
},
"RB3P": {
"default": 0
},
"HOI": {
"default": 0
},
"ISOP": {
"default": 0
},
"C4HVP1": {
"default": 0
},
"HPETHNL": {
"default": 0
},
"ETOO": {
"default": 0
},
"O1D": {
"default": 1e-06
},
"RIPD": {
"default": 0
},
"MACR": {
"default": 0
},
"LISOPNO3": {
"default": 0
},
"PRN1": {
"default": 0
},
"H1211": {
"default": 0
},
"PRPN": {
"default": 0
},
"BrO": {
"default": 0
},
"Br": {
"default": 0
},
"C2H4": {
"default": 0
},
"MENO3": {
"default": 0
},
"PAN": {
"default": 0
},
"IEPOXAOO": {
"default": 0
},
"H": {
"default": 0
},
"MCRENOL": {
"default": 0
},
"R4N1": {
"default": 0
},
"HMHP": {
"default": 0
},
"IEPOXD": {
"default": 0
},
"NRO2": {
"default": 0
},
"B3O2": {
"default": 0
},
"HO2": {
"default": 4e-06
},
"OH": {
"default": 4e-06
},
"CFC115": {
"default": 0
},
"HI": {
"default": 0
},
"RA3P": {
"default": 0
},
"MONITU": {
"default": 0
},
"IDC": {
"default": 0
},
"LBRO2N": {
"default": 0
},
"INA": {
"default": 0
},
"H2O2": {
"default": 4e-06
},
"CH2O": {
"default": 4e-06
},
"CH2Br2": {
"default": 0
},
"ClOO": {
"default": 0
},
"MTPA": {
"default": 0
},
"BALD": {
"default": 0
},
"MO2": {
"default": 4e-06
},
"IHPOO2": {
"default": 0
},
"MACR1OO": {
"default": 0
},
"CH2OO": {
"default": 0
},
"HCFC22": {
"default": 0
},
"BENZO": {
"default": 0
},
"MVKN": {
"default": 0
},
"CH2ICl": {
"default": 0
},
"I2": {
"default": 0
},
"CSL": {
"default": 0
},
"CH3CCl3": {
"default": 0
},
"I2O3": {
"default": 0
},
"ICl": {
"default": 0
},
"HBr": {
"default": 0
},
"Cl2": {
"default": 0
},
"XYLE": {
"default": 0
},
"PPN": {
"default": 0
},
"HNO2": {
"default": 4e-06
},
"BZCO3": {
"default": 0
},
"SO4": {
"default": 0
},
"N2O": {
"default": 300
},
"IHN2": {
"default": 0
},
"LIMO": {
"default": 0
},
"HCFC141b": {
"default": 0
},
"MTPO": {
"default": 0
},
"PHEN": {
"default": 0
},
"RIPC": {
"default": 0
},
"OTHRO2": {
"default": 0
},
"ITCN": {
"default": 0
},
"TOLU": {
"default": 0
},
"A3O2": {
"default": 0
},
"HPALD4": {
"default": 0
},
"ICHOO": {
"default": 0
},
"ETHP": {
"default": 0
},
"BZCO3H": {
"default": 0
},
"LXRO2H": {
"default": 0
},
"H2O": {
"default": 18400000
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"AROMRO2": {
"default": 0
},
"MGLY": {
"default": 0
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"MAP": {
"default": 0
},
"LXRO2N": {
"default": 0
},
"KO2": {
"default": 0
},
"LTRO2N": {
"default": 0
},
"Cl2O2": {
"default": 0
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"NPRNO3": {
"default": 0
},
"IPRNO3": {
"default": 0
},
"HNO3": {
"default": 4e-06
},
"MCROHOO": {
"default": 0
},
"LNRO2N": {
"default": 0
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"BRO2": {
"default": 0
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"ALK4": {
"default": 0
},
"R4N2": {
"default": 0
},
"INO2B": {
"default": 0
},
"C4HVP2": {
"default": 0
},
"PIO2": {
"default": 0
},
"O3": {
"default": 20
},
"BENZP": {
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},
"HPALD1": {
"default": 0
},
"N": {
"default": 4e-11
},
"LIMO2": {
"default": 0
},
"IDHNDOO2": {
"default": 0
},
"O2": {
"constant": true,
"default": 210000000
},
"CO": {
"default": 100
},
"ICHE": {
"default": 0
},
"IDHNBOO": {
"default": 0
},
"I2O2": {
"default": 0
},
"MCRDH": {
"default": 0
},
"HCFC142b": {
"default": 0
},
"PIP": {
"default": 0
},
"BrCl": {
"default": 0
},
"HCOOH": {
"default": 0
},
"NIT": {
"default": 0
},
"GLYX": {
"default": 0
},
"HOCl": {
"default": 0
},
"ICPDH": {
"default": 0
},
"SALAAL": {
"default": 1e-09,
"description": "Held at 1e-9 rather than 0 as a denominator guard (mdl-79g): reaction R1's rate is k_mt1/SALAAL, so a 0 initial value makes the first RHS evaluation 0/0 and the whole RHS non-finite. SALAAL is also R1's own substrate, so the division cancels the mass-action factor and the term reduces to k_mt1*O3*SO2 -- the singularity is removable and any positive value collapses it. The value is inert here: SALAAL is produced by no reaction and consumed only through k_mt1..k_mt3, all of which default to 0. 1e-9 matches the seed the analyses in this file already use. Remove this default once the substrate-detection heuristic drop (mdl-79g) lands on EarthSciAST main and R1's division is gone."
},
"LNRO2H": {
"default": 0
},
"RCO3": {
"default": 0
},
"HMS": {
"default": 1e-06
},
"ClNO3": {
"default": 0
},
"PP": {
"default": 0
},
"NITs": {
"default": 0
},
"H1301": {
"default": 0
},
"ACTA": {
"default": 0
},
"NAP": {
"default": 0
},
"IHPNBOO": {
"default": 0
},
"IHPNDOO": {
"default": 0
},
"ICNOO": {
"default": 0
},
"HMML": {
"default": 0
},
"IHPOO3": {
"default": 0
},
"CO2": {
"default": 355000
},
"I2O4": {
"default": 0
},
"IEPOXA": {
"default": 0
},
"MVKHP": {
"default": 0
},
"CH3CHOO": {
"default": 0
},
"ROH": {
"default": 0
},
"PRPE": {
"default": 0
},
"MPN": {
"default": 0
},
"IHOO1": {
"default": 0
},
"ICN": {
"default": 0
},
"LBRO2H": {
"default": 0
},
"IHN1": {
"default": 0
},
"EOH": {
"default": 0
},
"HPALD2": {
"default": 0
},
"MCRHNB": {
"default": 0
},
"MACRNO2": {
"default": 0
},
"OClO": {
"default": 0
},
"HPALD1OO": {
"default": 0
},
"LVOC": {
"default": 0
},
"HC5A": {
"default": 0
},
"RIPA": {
"default": 0
},
"IHPOO1": {
"default": 0
},
"MACR1OOH": {
"default": 0
},
"ALD2": {
"default": 0
},
"CH3Cl": {
"default": 0
},
"IDHDP": {
"default": 0
},
"MSA": {
"default": 0
},
"ATO2": {
"default": 0
},
"H2402": {
"default": 0
},
"HPALD3": {
"default": 0
},
"ATOOH": {
"default": 0
},
"IDN": {
"default": 0
},
"OLND": {
"default": 0
},
"NPHEN": {
"default": 0
},
"C3H8": {
"default": 0
},
"MCO3": {
"default": 0
},
"MONITS": {
"default": 0
},
"DMS": {
"default": 0
},
"OIO": {
"default": 0
},
"HNO4": {
"default": 4e-06
},
"ClO": {
"default": 0
},
"IONITA": {
"default": 0
},
"ITHN": {
"default": 0
},
"SO4s": {
"default": 0
},
"OCS": {
"default": 9e-06
},
"IONO2": {
"default": 0
},
"ETHLN": {
"default": 0
},
"RCHO": {
"default": 0
},
"MCRHP": {
"default": 0
},
"O": {
"default": 0
},
"CFC114": {
"default": 0
},
"MVK": {
"default": 0
},
"INO2D": {
"default": 0
},
"BZPAN": {
"default": 0
},
"HPALD2OO": {
"default": 0
},
"Br2": {
"default": 0
},
"IDHPE": {
"default": 0
},
"CCl4": {
"default": 0
},
"IHN3": {
"default": 0
},
"MVKHC": {
"default": 0
},
"IDNOO": {
"default": 0
},
"SALACL": {
"default": 0
},
"MOH": {
"default": 0
},
"Cl": {
"default": 0
},
"CH3I": {
"default": 1e-11
},
"MEK": {
"default": 0
},
"IEPOXBOO": {
"default": 0
},
"ETO": {
"default": 0
},
"MCT": {
"default": 0
},
"CH2IBr": {
"default": 0
},
"IEPOXB": {
"default": 0
},
"MCRHN": {
"default": 0
},
"MVKHCB": {
"default": 0
},
"MVKPC": {
"default": 0
},
"INPD": {
"default": 0
},
"ACET": {
"default": 0
},
"MPAN": {
"default": 0
},
"INDIOL": {
"default": 0
},
"HAC": {
"default": 0
},
"CFC12": {
"default": 0
},
"ETHN": {
"default": 0
},
"BENZO2": {
"default": 0
},
"CH3Br": {
"default": 0
},
"MVKDH": {
"default": 0
},
"TRO2": {
"default": 0
},
"INPB": {
"default": 0
},
"OLNN": {
"default": 0
},
"SO2": {
"default": 1e-09,
"description": "Held at 1e-9 rather than 0 as a denominator guard (mdl-79g): reaction R12's rate is k_cld6/SO2, so a 0 initial value makes the first RHS evaluation 0/0 and the whole RHS non-finite. SO2 is also R12's own substrate, so the division cancels the mass-action factor and the singularity is removable -- any positive value collapses the term. Unlike the SALAAL/SALCAL guards this value is NOT inert: SO2 has live chemistry under default parameters (R167 SO2+OH, and R344/R348 with the Criegee intermediates), so it is kept as small as the guard allows rather than at a physically suggestive level. 1e-9 matches the seed the analyses in this file already use. Remove this default once the substrate-detection heuristic drop (mdl-79g) lands on EarthSciAST main and R12's division is gone."
},
"PO2": {
"default": 0
},
"BrNO2": {
"default": 0
},
"ISOPNOO1": {
"default": 0.03
},
"H2": {
"constant": true,
"default": 500
},
"R4P": {
"default": 0
},
"N2": {
"constant": true,
"default": 781000000
},
"RP": {
"default": 0
},
"MP": {
"default": 4e-06
},
"CH2Cl2": {
"default": 0
},
"GLYC": {
"default": 0
},
"LISOPOH": {
"default": 0
},
"ISOPNOO2": {
"default": 0
},
"AROMP5": {
"default": 0
},
"BrNO3": {
"default": 0
},
"CFC11": {
"default": 0
},
"HCl": {
"default": 0
},
"NO2": {
"default": 0.0004
},
"ETO2": {
"default": 0
},
"R4O2": {
"default": 0
},
"ClNO2": {
"default": 0
},
"BENZ": {
"default": 0
},
"IONO": {
"default": 0
},
"RCOOH": {
"default": 0
},
"I": {
"default": 0
},
"IHOO4": {
"default": 0
},
"PROPNN": {
"default": 0
},
"HOBr": {
"default": 0
},
"IDCHP": {
"default": 0
},
"NO3": {
"default": 4e-06
},
"AROMP4": {
"default": 0
},
"SALCAL": {
"default": 1e-09,
"description": "Held at 1e-9 rather than 0 as a denominator guard (mdl-79g): reaction R4's rate is k_mt4/SALCAL, so a 0 initial value makes the first RHS evaluation 0/0 and the whole RHS non-finite. SALCAL is also R4's own substrate, so the division cancels the mass-action factor and the term reduces to k_mt4*O3*SO2 -- the singularity is removable and any positive value collapses it. The value is inert here: SALCAL is produced by no reaction and consumed only through k_mt4..k_mt6, all of which default to 0. 1e-9 matches the seed the analyses in this file already use. Remove this default once the substrate-detection heuristic drop (mdl-79g) lands on EarthSciAST main and R4's division is gone."
},
"INO": {
"default": 0
}
},
"expression_templates": {
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"body": {
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}
},
"arrhenius": {
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},
"scaled_M": {
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},
"troe_clamp_arr_M": {
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"body": {
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"args": [
{
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"analyses": [
{
"id": "default_run_24h",
"description": "24-hour integration of the 819-reaction GEOS-Chem fullchem mechanism from a polluted-urban initial state (T=298 K, num_density=40.9 mol/m^3, NO=10 ppb, NO2=20 ppb, ISOP=2 ppb, O3=70 ppb) with constant noon-rate NO2 photolysis (j_11=0.0149 1/s). Plots O3, NO, NO2 and OH vs time over the full diurnal window. After mdl-5xp routed render_example_plots through earthsci_ast.simulation.simulate (the canonical Python ESS runner), LSODA on the cse-compiled rhs handles the 24-h window in ~3-4 min wall on the workspace machine after the per-component compile cache (~80-130 s) is warm; the integrator's adaptive timestep grows large once the HOx/NOx cycle reaches its photostationary balance, so wall cost grows sub-linearly with window length.",
"time_span": {
"start": 0,
"end": 86400
},
"initial_state": {
"NO": 10,
"NO2": 20,
"O3": 70,
"ISOP": 2,
"OH": 4e-06,
"HO2": 4e-06
},
"parameters": {
"T": 298.0,
"num_density": 40.896894217403165,
"j_11": 0.0149
},
"plots": [
{
"id": "O3_vs_time",
"type": "line",
"description": "O3 over 24 h of polluted-urban photochemistry under constant-noon photolysis. Initial fast drift settles into a slow net production driven by VOC (ISOP) oxidation; the diurnal-mean drift is the canonical signature of a stand-alone fullchem run with no diurnally-varying j-rates.",
"x": {
"variable": "t",
"label": "time (s)"
},
"y": {
"variable": "O3",
"label": "O3 (ppb)"
}
},
{
"id": "NO_vs_time",
"type": "line",
"description": "NO over 24 h — NO2+hv→NO+O3P competes against NO+O3→NO2 and NO+HO2/RO2 pathways; the NO/NO2 partition equilibrates fast and then drifts with the slower O3 budget.",
"x": {
"variable": "t",
"label": "time (s)"
},
"y": {
"variable": "NO",
"label": "NO (ppb)"
}
},
{
"id": "NO2_vs_time",
"type": "line",
"description": "NO2 over 24 h — depleted by photolysis, replenished by NO+O3 and HO2/RO2+NO; the partner of the NO trace under the fast NOx photostationary cycle.",
"x": {
"variable": "t",
"label": "time (s)"
},
"y": {
"variable": "NO2",
"label": "NO2 (ppb)"
}
},
{
"id": "OH_vs_time",
"type": "line",
"description": "OH over 24 h — sits in the HOx photostationary state set by the j_11/O3/H2O budget on a sub-second timescale, then drifts with the slow O3/HCHO/CO budgets over the diurnal window.",
"x": {
"variable": "t",
"label": "time (s)"
},
"y": {
"variable": "OH",
"label": "OH (ppb)"
}
}
]
},
{
"id": "jNO2_photolysis_sweep",
"description": "NO2-photolysis sensitivity at fixed polluted-urban initial composition (T=298 K, NO=10 ppb, NO2=20 ppb, ISOP=2 ppb, O3=70 ppb). Sweeps j_11 (the GEOS-Chem j-table index for NO2+hv → NO + O3P, see GasChem.jl/src/geoschem_fullchem.jl:3014) from dark (0 s^-1) through bright noon (~0.02 s^-1) on the same 8-grid superfast uses, integrates each grid point for 1800 s (30 min — long enough that the slow O3 budget responds to the sweep), then plots the t=1800 s OH and O3 against j_11. The HOx subsystem equilibrates on ≪ 1 s and OH tracks the photostationary value across the sweep; the O3 curve at 30 min captures the j_11 sensitivity of the net O3 photoproduction and is the canonical readout the bead acceptance asks for. Window choice is a wall-time/equilibration trade-off (mdl-1yv): longer windows than 30 min cost a near-proportional amount more wall in solve_ivp without materially changing the curve shape.",
"time_span": {
"start": 0,
"end": 1800
},
"initial_state": {
"NO": 10,
"NO2": 20,
"O3": 70,
"ISOP": 2,
"OH": 4e-06,
"HO2": 4e-06
},
"parameters": {
"T": 298.0,
"num_density": 40.896894217403165
},
"parameter_sweep": {
"type": "cartesian",
"dimensions": [
{
"parameter": "j_11",
"values": [
0.0,
0.001,
0.0025,
0.005,
0.0075,
0.01,
0.0149,
0.02
]
}
]
},
"plots": [
{
"id": "OH_vs_jNO2",
"type": "line",
"description": "Quasi-steady-state OH at t=1800 s vs NO2 photolysis rate j_11.",
"x": {
"variable": "j_11",
"label": "j_11 (1/s)"
},
"y": {
"variable": "OH",
"label": "OH (ppb)"
}
},
{
"id": "O3_vs_jNO2",
"type": "line",
"description": "O3 at t=1800 s vs NO2 photolysis rate j_11 — quasi-steady-state ozone response across the dark-to-noon photolysis range.",
"x": {
"variable": "j_11",
"label": "j_11 (1/s)"
},
"y": {
"variable": "O3",
"label": "O3 (ppb)"
}
}
]
},
{
"id": "temperature_sweep",
"description": "Tropospheric-temperature sensitivity at fixed polluted-urban composition and noon photolysis (j_11=0.0149 1/s). Sweeps T across the same 9-grid superfast uses (240 K cold upper-troposphere → 320 K warm boundary layer) and integrates each grid point for 1800 s (30 min — long enough for the slow O3 budget to respond), then plots the t=1800 s OH and O3 against T. The bimolecular Arrhenius rates and termolecular falloff rates that dominate the HOx, NOx and O3 budgets all carry strong T dependence; the 30-min window lets the net effect on tropospheric O3 emerge in a single curve. Note: num_density is held at 40.9 mol/m³ (the polluted_urban value) rather than scaling with T at fixed P, so the sweep isolates the rate-coefficient T dependence from the P/T density dependence.",
"time_span": {
"start": 0,
"end": 1800
},
"initial_state": {
"NO": 10,
"NO2": 20,
"O3": 70,
"ISOP": 2,
"OH": 4e-06,
"HO2": 4e-06
},
"parameters": {
"j_11": 0.0149,
"num_density": 40.896894217403165
},
"parameter_sweep": {
"type": "cartesian",
"dimensions": [
{
"parameter": "T",
"values": [
240,
250,
260,
270,
280,
290,
300,
310,
320
]
}
]
},
"plots": [
{
"id": "OH_vs_T",
"type": "line",
"description": "Quasi-steady-state OH at t=1800 s vs temperature T.",
"x": {
"variable": "T",
"label": "Temperature (K)"
},
"y": {
"variable": "OH",
"label": "OH (ppb)"
}
},
{
"id": "O3_vs_T",
"type": "line",
"description": "O3 at t=1800 s vs temperature T — quasi-steady-state ozone response across the cold-troposphere-to-warm-boundary-layer range.",
"x": {
"variable": "T",
"label": "Temperature (K)"
},
"y": {
"variable": "O3",
"label": "O3 (ppb)"
}
}
]
}
]
}