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mech_cracmm2.def
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!! CRACMM version 1.0 mechanism developed 2021 by USEPA
!! CRACMM builds upon RACM2 and RACM
!! **********************************************************************
!! FILE: RACM2.5M4.mch - update MACR scheme with geos-chem
!! DATE: Sept 4, 2012 - update MVK + O3 rxn
!! VERSION: Final Frozen Version - all updates from reviewers
!! ID: RACM Version 2.5M1 - updates from IUPAC JAN 2008
!! LAST UPDATE: Sept 4, 2012
!! --------------------------------------------------------------------
!! Based on REGIONAL ATMOSPHERIC CHEMISTRY MECHANISM (RACM) Version 1.3
!! Reference: W.R. Stockwell, F. Kirchner, M. Kuhn, and S. Seefeld, "A
!! New Mechanism for Regional Atmospheric Chemistry Modeling", J. of
!! Geophys. Res., 1997.
!! --------------------------------------------------------------------
!! FOR MORE INFORMATION REGARDING THIS MECHANISM CONTACT:
!! Wendy S. Goliff
!! CE-CERT
!! UC Riverside
!! 1084 Columbia Ave
!! Riverside, CA 92507
!! E-MAIL: [email protected]
!! Telephone: (951) 781-5665
!! FAX:
!! OR
!! William R. Stockwell
!! Department of Chemistry, Room 120
!! Howard University
!! 525 College Street, NW
!! Washington DC 20059
!! E-MAIL: [email protected]
!! Telephone: (202) 806-6913
!! FAX: (202) 806-5442
! **********************************************************************
! The RACM2 mechanism is based upon the earlier Regional Atmospheric
! Chemistry Mechanism (RACM) mechanism. It is intended to be valid for
! conditions ranging from remote to polluted and from the Earth's
! surface through the upper troposphere. The RACM2 mechanism includes
! 356 reactions and 117 total species: 17 stable inorganic species, 4
! inorganic intermediates, 54 stable organic species (4 of these are
! primarily of biogenic origin) and 42 organic intermediates.
! **********************************************************************
! **********************************************************************
! Reformatted by Golam Sarwar in September 2012 for making it compatible with CMAQ
! Following species have been removed from the product list since these are used as constants in CMAQ - CH4, H2, O2
! Following species have been removed from the product list since these are used as input to CMAQ - H2O
! Following species have been removed from the product list since CMAQ does not track these species - CO2
!
!
! Modified for incorporating secondary sulfate and SOA mechanism
! Added SULRXN - counter species for aerosol from SO2 + OH reaction
! Added ISOPRXN - counter species for aerosol from ISO + OH reaction
! Added TRPRXN - counter species for aerosol from API and LIM
! Added TOLRO2, XYLRO2, BENZRO2 - first generation products from TOL, XYL and BEN that further react with NO and NO2 to produce SVOC
! Added two reactions for TOLRO2, added TOLNRXN, TOLHRXN - counter species for aerosol from TOL
! Added two reactions for XYLRO2, added XYLNRXN, XYLHRXN - counter species for aerosol from XYL and XYO
! Added two reactions for BENZRO2 added BNZNRXN, BNZHRXN - counter species for aerosol from BEN
! Added three reactions for SESQ from sesquiterpene, added SESQRXN - counter species for aerosol from SESQ
! BEN is changed to BENZENE since SOA module is expecting BENZENE, not BEN
! ADDED ALK5 FOR SOA PRODUCTION from HC8
!
! Rate constant for R051 has a special expression
!
! Revised the rate constant of R65 based on IUPAC2010
!
! Wendy Goliff corrected type errors in R110 and R111
!
! B.Hutzell 07/10/14
! added inorganic heterogeneous reactions for N2O5 and NO2, oligomerization reactions for
! SOA species and aging reactions for primary organic carbon and non-carbon aerosol species
! B.Hutzell 11/3/14
! -changed ALK5RXN yield in reaction <R075> from 1.0 to 0.47 based on SOA updates
! suggested by H. Pye's for cb05e51_ae6_aq
! -Modified by splitting oligomerization into two reactions: one for each
! Alkene SOA species. The new species were introduced in cb05e51_ae6_aq
! Golam Sarwar 12/02/14
! -Added a simple halogen chemistry over sea-water
! Golam Sarwar 6/25/15
! -Revised the simple halogen chemistry over sea-water using results of two-way CMAQ model and detailed halogen chemistry
! Golam Sarwar 6/29/15
! - Updated SOA formation; see CB05 changes done by Havala Pye for details
! - Added ISOPRXN counter to ISO + NO3 reaction to add SOA formation
! - Added SOAALK + OH reaction for SOA production and removed ALK5RXN from R075
! - Added Naphthalene reaction for SOA
! - Added heterogeneous uptake of IEPOX on acidic aerosol
! - Yield of XYLRO2 in R083 is reduced to 0.98 to prevent double counting of SOA production from XYM since naphthalene is also included in XYM
! - 0.98 is the emission ratio of (XYM-NAPTH)/XYM for July 2011
! 05-25-17 B. Hutzell
! 1. updated the oligomerization reactions to be consistent with the
! saprc07tic_ae6_aq mechanism.
! 03-04-21 G. Sarwar
! updated <HAL_OZONE>
!------------------------------------------------------------------------------
! CRACMMv1.0 modifications
! - XYO and XYP combined and replaced with XYE (R084c). Retains products of XYO
! (same as XYP) but decreases kOH to surrogate (ethylbenzene) value.
! Major contributors ethylbenzene and o-xylene.
! - renamed BENZENE to BEN for greater consistency in name length
! - added HAP placeholder chemistry for BDE13, ACRO. NAPH already present.
! - added PROG based on Coggon et al. PNAS 2021 and
! MCM http://mcm.york.ac.uk/browse.htt?species=PROPGLY
! - Photolysis updates added per B. Hutzell
! - FURAN chemistry added based on Wang et al. JGR 2021, Schwantes, Coggon
! - SESQ chemistry added based on MCM per H. Pye
! - Phenolic (PHEN, CSL) SOA added per H. Pye
! - Monoterpene nitrates added per B. Place
! - ACRO, BDE13 chemistry added per E. D'Ambro
! - Oxygenated ROC (ROCOXY) chemistry added per B. Murphy
! - Alkane ROC (ROCALK) chemistry added per K. Seltzer
! - HC8 replaced with HC10 following ROCALK template by H. Pye
! - Aromatic chemistry (ROCARO, NAPH, BTX) added per H. Pye
! - AMORE isoprene condensation from Woods Wiser and Faye McNeill implemented by B. Place
!------------------------------------------------------------------------------
! 10-18-21 G. Sarwar
! updated rate constants for inorganic reactions and three organic reactions (R70-R71)
! added one photolysis reaction (R014a), updated reaction products for R016 and R017
! updated photolysis rate coefficients for CH3COCH3, MEK, KET, ALD, HCHO
!------------------------------------------------------------------------------
! CRACMM2 modifications (N. Skipper, H. Pye) (Skipper et al. in prep for ACP in 2024)
! - Updated AMORE isoprene condensation to AMORE v1.2 (Woods Wiser, Faye McNeill)
! - Added ECH4 + HO reaction for emissions of CH4 above background
! - Added heterogeneous uptake of HO2 and NO3 same as Zhu et al. 2024 ACP
! - Updated monoterpene chemistry based on Schwantes et al. ACP 2020 and assuming
! API is 65/35 a-pinene/b-pinene in emissions
! - Updated monoterpene nitrate chemistry to include second generation monoterpene
! nitrate, hydrolysis losses, and photolysis losses. Also revised chemical
! reaction products to include some NOx cycling.
! - Added styrene (STY) chemistry based on MCM
! - Updated xylene (XYL) and ethylbenzene (EBZ) species names (no chemistry changes)
!
! Notes on elemental balance terms (DELTA_C, DELTA_N, DELTA_SI):
! - DELTA_C, DELTA_N, and DELTA_SI appear in reactions where the number of carbons,
! nitrogens, or silicons are not balanced in the reactants and products.
! - These species are ignored in the chemistry (see ELIMINATE block) and are only
! for informational purposes.
! - The sign of DELTA_* indicates whether an element is being lost or produced in
! the reaction. Using DELTA_C as an example, -DELTA_C means the reaction has
! a net production of carbon (carbon needs to be subtracted to make the number
! of carbons in the products match the number of carbons in the reactants).
! +DELTA_C means the reaction has a net loss of carbon (carbon needs to be added
! to make the number carbons in the products match the number of carbons in
! the reactants).
!------------------------------------------------------------------------------
CRACMM2
ELIMINATE =
DELTA_SI;
DELTA_N;
DELTA_C;
END ELIMINATE
REACTIONS[CM] =
<R001> O3 = O3P # 1.0/<O3O3P_NASA06>;
<R002> O3 = O1D # 1.0/<O3O1D_NASA06>;
<R003> H2O2 = 2.000*HO # 1.0/<H2O2_RACM2>;
<R004> NO2 = O3P + NO # 1.0/<NO2_RACM2>;
<R005> NO3 = NO # 1.0/<NO3NO_RACM2>;
<R006> NO3 = O3P + NO2 # 1.0/<NO3NO2_RACM2>;
<R007> HONO = HO + NO # 1.0/<HONO_RACM2>;
<R008> HNO3 = HO + NO2 # 1.0/<HNO3_RACM2>;
<R009> HNO4 = 0.200*HO + 0.800*HO2 + 0.800*NO2 + 0.200*NO3
# 1.0/<HNO4_RACM2>;
<R010> HCHO = CO # 1.0/<HCHO_MOL_JPL19>;
<R011> HCHO = 2.000*HO2 + CO # 1.0/<HCHO_RAD_JPL19>;
<R012> ACD = HO2 + MO2 + CO # 1.0/<CH3CHO_RACM2>;
<R013> ALD = HO2 + ETHP + CO # 1.0/<ALD_JPL19>;
<R014> ACT = MO2 + ACO3 # 1.0/<CH3COCH3A_JPL19>;
<R014a> ACT = 2.000*MO2 + CO # 1.0/<CH3COCH3B_JPL19>;
<R015> UALD = 1.220*HO2 + 0.784*ACO3 + 1.220*CO + 0.350*HCHO
+ 0.434*ALD + 0.216*KET - 0.5200*DELTA_C
# 1.0/<UALD_RACM2>;
<TRP01> PINAL = HO2 + HC10P + CO - 1.0000*DELTA_C # 1.0/<ALD_JPL19>;
<TRP02> LIMAL = HO2 + HC10P + CO - 1.0000*DELTA_C # 1.0/<ALD_JPL19>;
<R016> MEK = 0.100*MO2 + ETHP + 0.900*ACO3 + 0.100*CO # 1.0/<MEK_JGR19>;
<R017> KET = 1.500*ETHP + 0.500*ACO3 + 0.500*CO + 0.5000*DELTA_C
# 1.0/<KET_JGR19>;
<R018> HKET = HO2 + ACO3 + HCHO # 1.0/<HKET_RACM2>;
<R019> MACR = 0.340*HO + 0.660*HO2 + 0.670*ACO3 + 0.330*MACP
+ 0.340*XO2 + 0.670*CO + 0.670*HCHO # 1.0/<MACR_RACM2>;
<R020> MVK = 0.300*MO2 + 0.300*MACP + 0.700*CO + 0.700*UALD
- 1.7000*DELTA_C # 1.0/<MVK_RACM2>;
<R021> GLY = 2.000*CO # 1.0/<GLYH2_RACM2>;
<R022> GLY = HCHO + CO # 1.0/<GLYF_RACM2>;
<R023> GLY = 2.000*HO2 + 2.000*CO # 1.0/<GLYHX_RACM2>;
<R024> MGLY = HO2 + ACO3 + CO # 1.0/<MGLY_RACM2>;
<R025> DCB1 = 1.500*HO2 + 0.250*ACO3 + 0.200*XO2 + CO + 0.500*GLY
+ 0.500*MGLY + 1.0000*DELTA_C # 1.0/<MGLY_RACM2>;
<R026> DCB2 = 1.500*HO2 + 0.250*ACO3 + 0.200*XO2 + CO + 0.500*GLY
+ 0.500*MGLY + 2.0000*DELTA_C # 1.0/<MGLY_RACM2>;
<R027> BALD = CHO + HO2 + CO - 2.0000*DELTA_C # 1.0/<BALD_RACM2>;
<R028> OP1 = HO + HO2 + HCHO # 1.0/<OP1_RACM2>;
<R029> OP2 = HO + HO2 + ALD - 1.0000*DELTA_C # 1.0/<OP1_RACM2>;
<TRP03> OPB = HO + HO2 + ALD + 7.0000*DELTA_C # 1.0/<OP1_RACM2>;
<R029a> OP3 = HO + HO2 + ALD + 5.0000*DELTA_C # 1.0/<OP1_RACM2>;
<R030> PAA = HO + MO2 + 1.0000*DELTA_C # 1.0/<PAA_RACM2>;
<R031> ONIT = HO2 + NO2 + 0.200*ALD + 0.800*KET - 0.6000*DELTA_C
# 1.0/<ONIT_RACM2>;
<R032> PAN = ACO3 + NO2 # 1.0/<PAN1_RACM2>;
<R033> PAN = MO2 + NO3 + 1.0000*DELTA_C # 1.0/<PAN2_RACM2>;
<TRP55> TRPN = NO2 + 0.670*KET + 0.330*UALD + 5.0000*DELTA_C
# 1.0/<ONIT_RACM2>;
<TRP56> HONIT = HKET + NO2 + 7.0000*DELTA_C # 1.0/<ONIT_RACM2>;
<R034> O3 + HO = HO2 # 1.7E-12 @ 940.;
<R035> O3 + HO2 = HO # 1.0E-14 @ 490.;
<R036> O3 + NO = NO2 # 3.0E-12 @ 1500.;
<R037> O3 + NO2 = NO3 # 1.2E-13 @ 2450.;
<R038> O3P + O2 + M = O3 # 6.10E-34 ^ -2.4;
<R039> O3P + O3 = # 8.0E-12 @ 2060.;
<R040> O1D + O2 = O3P # 3.3E-11 @ -55.;
<R041> O1D + N2 = O3P # 2.15E-11 @ -110.;
<R042> O1D + H2O = 2.000*HO # 1.63E-10 @ -60.0;
<R043> HO + H2 = HO2 # 2.80E-12 @ 1800.;
<R044> HO + HO2 = # 4.8E-11 @ -250.;
<R045> HO2 + HO2 = H2O2 %3 # 3.0E-13 @ -460. & 2.1E-33 @ -920.;
<R046> HO2 + HO2 + H2O = H2O2 %3 # 4.20E-34 @ -2660.
& 2.94E-54 @ -3120.;
<R047> H2O2 + HO = HO2 # 1.8E-12 @ 0.;
<R048> NO + O3P = NO2 # 9.1E-32 ^ -1.5 & 3.0E-11 ^ 0.0 ;
<R049> NO + HO = HONO # 7.1E-31 ^ -2.6 & 3.6E-11 ^ -0.1;
<R050> NO + HO2 = NO2 + HO # 3.44E-12 @ -260.;
<R051> NO + HO2 = HNO3 %3 # 6.095e-14^[email protected]
& 6.857e-34^[email protected]& [email protected];
<R052> NO + NO + O2 = 2.000*NO2 # 4.25E-39 @ -663.5;
<R053> HONO + HO = NO2 # 3.0E-12 @ -250.;
<R054> NO2 + O3P = NO # 5.3E-12 @ -200.;
<R055> NO2 + O3P = NO3 # 3.4E-31 ^ -1.6 & 2.3E-11 ^ -0.2;
<R056> NO2 + HO = HNO3 # 1.80E-30 ^ -3.0 & 2.80E-11 ^ 0.0;
<R057> HNO3 + HO = NO3 %2 # 2.4E-14 @ -460 & 2.7E-17 @ -2199
& 6.5E-34 @ -1335;
<R058> NO3 + HO = HO2 + NO2 # 2.0E-11;
<R059> NO3 + HO2 = 0.700*HO + 0.700*NO2 + 0.300*HNO3 # 3.50E-12;
<R060> NO3 + NO = 2.000*NO2 # 1.7E-11 @ -125.;
<R061> NO3 + NO2 = NO + NO2 # 4.35E-14 @ 1335.;
<R062> NO3 + NO3 = 2.000*NO2 # 8.5E-13 @ 2450.;
<R063> NO3 + NO2 = N2O5 # 2.40E-30 ^ -3.0 & 1.6E-12 ^ +0.1;
<R064> N2O5 = NO2 + NO3 # 5.80E-27 @ -10840.0 *E<R063>;
<R065> N2O5 + H2O = 2.000*HNO3 # 1.0E-22;
<R066> NO2 + HO2 = HNO4 # 1.9E-31 ^ -3.4 & 4.0E-12 ^ -0.3;
<R067> HNO4 = HO2 + NO2 # 2.10E-27 @ -10900.0 *E<R066>;
<R068> HNO4 + HO = NO2 # 4.50E-13 @ -610.;
<R069> SO2 + HO = HO2 + SULF + SULRXN # 2.9E-31 ^ -4.1
& 1.7E-12 ^ +0.2;
<R070> CO + HO = HO2 + 1.0000*DELTA_C %3 # 1.44E-13 @ 0.0
& 2.74E-33 @ 0.0;
<R071> HO + CH4 = MO2 - 1.0000*DELTA_C # 2.45E-12 @ 1775.;
<R072> ETH + HO = ETHP # 7.66E-12 @ 1020.;
<R073> HC3 + HO = HC3P + 0.0000281*ASOATJ - 0.0001*DELTA_C
# 7.68E-12 @ 370.;
<R074> HC5 + HO = HC5P + 0.00134*ASOATJ - 0.0093*DELTA_C
# 1.01E-11 @ 245.;
<R076> ETE + HO = ETEP # 1.0E-28 ^ -4.5 & 8.8E-12 ^ -0.85;
<R077> OLT + HO = OLTP # 5.72E-12 @ -500.;
<R078> OLI + HO = OLIP # 1.33E-11 @ -500.;
<R080> ACE + HO = 0.650*HO + 0.350*HO2 + 0.350*CO + 0.650*GLY
+ 0.350*ORA1 # 5.5E-30 ^ 0.0 & 8.3E-13 ^ 2.0;
! MCM-based chemistry for aromatics, RACM2 rates for BEN, TOL, XYL, EBZ
<ROCARO31> BEN + HO = 0.470*BENP + 0.530*PHEN + 0.530*HO2
# 2.33E-12 @ 193.;
<ROCARO41> TOL + HO = 0.820*TOLP + 0.180*CSL + 0.180*HO2
- 0.3600*DELTA_C # 1.81E-12 @ -354.;
<ROCARO51> XYL + HO = 0.830*XYLP + 0.170*CSL + 0.170*HO2
- 0.1700*DELTA_C # 2.33E-11;
<ROCARO61> EBZ + HO = 0.820*EBZP + 0.180*CSL + 0.180*HO2
- 0.1800*DELTA_C #7.16E-12;
!Isoprene AMORE mechanism
<RAM01> ISO + O3 = 0.250*HO + 0.250*HO2 + 0.400*MO2 + 0.018*ACO3
+ 0.100*MACP + 0.090*H2O2 + 0.220*CO + HCHO
+ 0.300*MACR + 0.140*MVK + 0.280*ORA1 + 0.153*OLT
+ 0.4450*DELTA_C # 1.58E-14 @ 2000;
<RAM02> ISO + NO3 = 0.400*NO2 + 0.045*ISON + 0.350*HCHO + 0.555*INO2
+ 0.260*MVK + 0.028*MACR + 0.4980*DELTA_C
# 2.95E-12 @ 450;
<RAM03> ISO + HO = ISOP + 0.250*HCHO + 0.030*MACR + 0.050*MGLY
- 0.5200*DELTA_C # 2.69E-11 @ -390;
<RAM04> ISOP + HO2 = ISHP + 0.070*HO2 + 0.500*HO # 4.5E-13 @ -1300;
<RAM05> ISOP + NO = 0.130*ISON + 0.400*HCHO + 0.880*HO2 + 0.870*NO2
+ 0.180*MACR + 0.510*MVK + 1.1900*DELTA_C
# 6E-12 @ -350;
<RAM06> ISHP + HO = ISOP # 4.6E-12 @ -200;
<RAM07> ISHP + HO = 0.040*MGLY + 0.020*GLY + 0.130*MVK + 0.440*IEPOX
+ 0.110*ACO3 + 0.030*MACR + 2.000*HO + 0.340*HO2
+ 0.140*IPX + CO + 0.0800*DELTA_C # 2.97E-11 @ -390;
<RAM08> INO2 + HO2 = 0.450*HO + 0.950*INALD + 0.020*IPX
+ 0.0500*DELTA_N + 0.1500*DELTA_C # 3.14E-11 @ -580;
<RAM09> INO2 + NO = 0.150*MVK + 0.650*INALD + 0.050*ISON + 0.200*HCHO
+ 1.300*NO2 + 0.7000*DELTA_C # 9.42E-12 @ -580;
<RAM10> ISON + HO = HO + 0.350*INALD + 0.170*IEPOX + 0.650*NO2
+ 2.4000*DELTA_C # 2.4E-11 @ -390;
<RAM11> HO + INALD = CO + NO2 + 0.300*HO2 + HCHO + 3.0000*DELTA_C
# 1.50E-11;
<RAM12> ISON = HNO3 + ROH + 2.0000*DELTA_C # 4E-5;
<RAM13> IPX + HO = 0.570*MACR + 0.430*MVK + 1.0000*DELTA_C # 3E-12;
! end AMORE isoprene chemistry
<R087> API + HO = 0.975*APIP1 + 0.025*APIP2 # 1.21E-11 @ -440.;
<R088> LIM + HO = 0.945*LIMP1 + 0.055*LIMP2 # 4.20E-11 @ -401.;
<TRP04> PINAL + HO = 0.230*PINALP + 0.770*RCO3 + 5.3900*DELTA_C
# 5.20E-12 @ -600.;
<TRP05> LIMAL + HO = 0.830*LIMALP + 0.170*RCO3 + 1.1900*DELTA_C
# 1.10E-10;
<R089> HCHO + HO = HO2 + CO # 5.50E-12 @ -125.;
<R090> ACD + HO = ACO3 # 4.70E-12 @ -345.;
<R091> ALD + HO = RCO3 # 4.90E-12 @ -405.;
<R092> ACT + HO = ACTP # 4.56E-14 ^ 3.65 @ 427;
<R093> MEK + HO = MEKP # 1.5E-12 @ 90.;
<R094> KET + HO = KETP # 2.8E-12 @ -10.;
<R095> HKET + HO = HO2 + MGLY # 3.0E-12;
<R096> MACR + HO = 0.570*MACP + 0.430*MCP # 8.00E-12 @ -380.;
<R097> MVK + HO = MVKP # 2.60E-12 @ -610.;
<R098> UALD + HO = 0.313*ACO3 + 0.687*UALP + 0.9390*DELTA_C
# 5.77E-12 @ -533.;
<R099> GLY + HO = HO2 + 2.000*CO # 1.1E-11;
<R100> MGLY + HO = ACO3 + CO # 9.26E-13 @ -830.;
<R101> DCB1 + HO = 0.520*HO2 + 0.330*CO + 0.400*ALD + 0.780*KET
+ 0.100*GLY + 0.010*MGLY - 0.6600*DELTA_C
# 2.8E-11 @ -175.;
<R102> DCB2 + HO = 0.520*HO2 + 0.330*CO + 0.130*MEK + 0.100*GLY
+ 0.010*MGLY + 0.780*OP2 + 3.3600*DELTA_C
# 2.8E-11 @ -175.;
<R103> DCB3 + HO = 0.560*HO2 + 0.210*MACP + 0.110*CO + 0.270*GLY
+ 0.010*MGLY + 0.790*OP2 + 0.9000*DELTA_C # 1.00E-11;
<R104> BALD + HO = BALP # 5.32E-12 @ -243.;
<R105> PHEN + HO = 0.152*ASOATJ + 0.619*HO2 + 0.170*ADDC + 0.059*CHO
+ 0.619*MCT - 1.0590*DELTA_C # 6.75E-12 @ -405.;
<R106> CSL + HO = 0.200*ASOATJ + 0.584*HO2 + 0.160*ADDC + 0.056*CHO
+ 0.584*MCT + 1.9440*DELTA_C # 4.65E-11 @ 0.0;
<R108> MCT + HO = MCTO # 2.05E-10 @ 0.0;
<R109> MOH + HO = HO2 + HCHO # 2.85E-12 @ 345.;
<R110> EOH + HO = HO2 + ACD # 3.0E-12 @ -20.;
<R111> ROH + HO = HO2 + 0.719*ALD + 0.184*ACD + 0.4750*DELTA_C
# 2.6E-12 @ -200.;
<R112> ETEG + HO = HO2 + ALD - 1.0000*DELTA_C # 1.47E-11;
<R113> OP1 + HO = 0.350*HO + 0.650*MO2 + 0.350*HCHO # 2.9E-12 @ -190.;
<R114> OP2 + HO = 0.010*HO + 0.440*HC3P + 0.070*XO2 + 0.080*ALD
+ 0.410*KET - 1.6100*DELTA_C # 3.40E-12 @ -190.0;
<TRP06> OPB + HO = 0.010*HO + 0.440*HC10P + 0.070*XO2 + 0.080*ALD
+ 0.410*KET + 3.3100*DELTA_C # 3.40E-12 @ -190.0;
<R114a> OP3 + HO = 0.010*HO + 0.440*HC10P + 0.070*XO2 + 0.080*ALD
+ 0.410*KET + 1.3100*DELTA_C # 3.40E-12 @ -190.0;
<R116> MAHP + HO = MACP # 3.0E-11;
<R117> ORA1 + HO = HO2 + 1.0000*DELTA_C # 4.5E-13;
<R118> ORA2 + HO = 0.640*MO2 + 0.360*ORAP + 0.6400*DELTA_C
# 4.0E-14 @ -850.;
<R119> PAA + HO = 0.350*HO + 0.650*ACO3 + 0.350*XO2 + 0.350*HCHO
+ 0.3500*DELTA_C # 2.93E-12 @ -190.;
<R120> PAN + HO = XO2 + NO3 + HCHO + 1.0000*DELTA_C # 4.0E-14;
<R121> PPN + HO = XO2 + NO3 + HCHO + 2.0000*DELTA_C # 4.0E-14;
<R122> MPAN + HO = NO2 + HKET + 1.0000*DELTA_C # 3.2E-11;
<R123> ONIT + HO = HC3P + NO2 + 1.0000*DELTA_C # 5.31E-12 @ 260.;
<TRP07> TRPN + HO = 0.330*HONIT + 0.670*NO2 + 0.270*PINAL + 0.380*KET
+ 0.210*HCHO + 0.020*ALD + 1.8300*DELTA_C # 4.80E-12;
<TRP57> HONIT + HO = HKET + NO3 + 7.0000*DELTA_C %2 # 2.4E-14 @ -460
& 2.7E-17 @ -2199 & 6.5E-34 @ -1335;
<R126> ETE + O3 = 0.080*HO + 0.150*HO2 + 0.430*CO + HCHO + 0.370*ORA1
+ 0.2000*DELTA_C # 9.14E-15 @ 2580.;
<R127> OLT + O3 = 0.220*HO + 0.320*HO2 + 0.080*MO2 + 0.060*ETHP
+ 0.040*HC3P + 0.020*HC5P + 0.068*H2O2 + 0.430*CO
+ 0.020*ETH + 0.015*HC3 + 0.006*HC5 + 0.032*BEN
+ 0.560*HCHO + 0.010*ACD + 0.440*ALD + 0.030*ACT
+ 0.020*BALD + 0.060*MEK + 0.010*HKET + 0.030*ORA1
+ 0.060*ORA2 - 0.7070*DELTA_C # 4.33E-15 @ 1800.0;
<R128> OLI + O3 = 0.460*HO + 0.070*HO2 + 0.320*MO2 + 0.070*ETHP
+ 0.040*HC3P + 0.090*ACO3 + 0.370*CO + 0.026*H2O2
+ 0.010*ETH + 0.010*HC3 + 0.090*HCHO + 0.457*ACD
+ 0.730*ALD + 0.110*ACT + 0.017*KET + 0.044*HKET
+ 0.017*ORA2 + 0.0450*DELTA_C # 4.40E-15 @ 845.0;
<R131> API + O3 = 0.6055*HO + 0.2145*PINALP + 0.255*H2O2 + 0.2535*PINAL
+ 0.0065*ORA2 + 0.1105*HO2 + 0.1105*CO + 0.459*HCHO
+ 0.2805*RCO3 + 0.1785*KET + 0.0665*HC3 + 0.0385*OP1
+ 0.028*ORA1 + 2.7375*DELTA_C # 8.05e-16 @ 640.;
<R132> LIM + O3 = 0.660*HO + 0.660*LIMAL + 0.330*ACO3 + 0.330*HCHO
+ 0.330*RCO3 + 0.330*H2O2 + 0.010*ORA2
+ 1.4000*DELTA_C # 2.8E-15 @ 770.;
<TRP08> LIMAL + O3 = 0.090*HO + ALD + 0.620*HCHO + 0.230*OP1
+ 0.020*H2O2 + 0.150*ORA1 + 6.0000*DELTA_C
# 8.30E-18;
<TRP09> TRPN + O3 = 0.330*HONIT + 0.670*NO2 + 0.270*PINAL + 0.380*KET
+ 0.210*HCHO + 0.020*ALD + 1.8300*DELTA_C # 1.67E-16;
<R133> MACR + O3 = 0.190*HO + 0.140*HO2 + 0.100*ACO3 + 0.220*CO
+ 0.500*MGLY + 0.450*ORA1 + 1.6300*DELTA_C
# 1.36E-15 @ 2112.;
<R134> MVK + O3 = 0.160*HO + 0.110*HO2 + 0.280*ACO3 + 0.010*XO2
+ 0.560*CO + 0.100*HCHO + 0.540*MGLY + 0.070*ORA1
+ 0.070*ORA2 + 0.100*ALD + 0.6500*DELTA_C
# 8.50E-16 @ 1520.;
<R135> UALD + O3 = 0.100*HO + 0.072*HO2 + 0.008*MO2 + 0.002*ACO3
+ 0.100*XO2 + 0.243*CO + 0.080*HCHO + 0.420*ACD
+ 0.028*KET + 0.491*GLY + 0.003*MGLY + 0.044*ORA1
+ 2.6500*DELTA_C # 1.66E-18;
<R136> DCB1 + O3 = 0.050*HO + HO2 + 0.600*RCO3 + 0.600*XO2 + 1.500*CO
+ 0.050*HCHO + 0.050*GLY + 0.080*MGLY + 0.650*OP2
+ 0.0100*DELTA_C # 2.0E-16;
<R137> DCB2 + O3 = 0.050*HO + HO2 + 0.600*RCO3 + 0.600*XO2 + 1.500*CO
+ 0.050*HCHO + 0.050*GLY + 0.080*MGLY + 0.700*DCB1
+ 0.650*OP2 - 2.4900*DELTA_C # 2.0E-16;
<R138> DCB3 + O3 = 0.050*HO + HO2 + 1.500*CO + 0.480*GLY + 0.700*DCB1
+ 0.250*ORA1 + 0.250*ORA2 + 0.110*PAA
- 2.9300*DELTA_C # 9.0E-17;
<R140> MCTO + O3 = MCTP # 2.86E-13;
<R141> ETE + NO3 = 0.800*OLNN + 0.200*OLND - 1.0000*DELTA_C
# 4.392E-13^[email protected];
<R142> OLT + NO3 = 0.430*OLNN + 0.570*OLND # 1.79E-13 @ 450.;
<R143> OLI + NO3 = 0.110*OLNN + 0.890*OLND + 2.0000*DELTA_C
# 8.64E-13 @ -450.;
<R146> API + NO3 = 0.975*APINP1 + 0.025*APINP2 # 1.19E-12 @ -490.;
<R147> LIM + NO3 = 0.945*LIMNP1 + 0.055*LIMNP2 # 1.22E-11;
<TRP10> TRPN + NO3 = 0.330*HONIT + 0.670*NO2 + 0.270*PINAL + 0.380*KET
+ 0.210*HCHO + 0.020*ALD + 1.0000*DELTA_N
+ 1.8300*DELTA_C # 3.15E-13 @ 448.;
<R148> HCHO + NO3 = HO2 + CO + HNO3 # 2.0E-12 @ 2440.;
<R149> ACD + NO3 = ACO3 + HNO3 # 1.4E-12 @ 1900.;
<R150> ALD + NO3 = RCO3 + HNO3 # 3.76E-12 @ 1900.;
<R151> MACR + NO3 = 0.680*HCHO + 0.320*MACP + 0.680*XO2 + 0.680*MGLY
+ 0.320*HNO3 + 0.680*NO2 # 3.40E-15;
<R152> UALD + NO3 = HO2 + XO2 + 0.668*CO + 0.332*HCHO + 0.332*ALD
+ ONIT - 0.9960*DELTA_C # 5.02E-13 @ 1076.;
<R153> GLY + NO3 = HO2 + 2.000*CO + HNO3 # 2.90E-12 @ 1900.;
<R154> MGLY + NO3 = ACO3 + CO + HNO3 # 3.76E-12 @ 1900.;
<R155> PHEN + NO3 = 0.152*ASOATJ + 0.339*CHO + 0.850*ADDC + 0.424*ADCN
+ 0.424*HNO3 + 0.1520*DELTA_N - 6.2700*DELTA_C
# 3.78E-12;
<R156> CSL + NO3 = 0.200*ASOATJ + 0.320*CHO + 0.080*ADDC + 0.400*ADCN
+ 0.400*HNO3 + 0.2000*DELTA_N + 2.0800*DELTA_C
# 1.06E-12;
<R158> MCT + NO3 = MCTO + HNO3 # 2.01E-10;
<R159> MPAN + NO3 = MACP + NO2 + 1.0000*DELTA_N # 2.2E-14 @ 500.;
<TRP11> PINALP = HOM # 0.029;
<TRP12> LIMALP = HOM # 0.024;
<R166> ACO3 + NO2 = PAN # 9.7E-29 ^ -5.6 & 9.3E-12 ^ -1.5;
<R167> PAN = ACO3 + NO2 # 9.00E-29 @ -14000.0 *E<R166>;
<R168> RCO3 + NO2 = PPN # 9.7E-29 ^ -5.6 & 9.3E-12 ^ -1.5;
<R169> PPN = RCO3 + NO2 # 9.00E-29 @ -14000.0 *E<R168>;
<R170> MACP + NO2 = MPAN # 2.80E-12 @ -181.;
<R171> MPAN = MACP + NO2 # 1.60E+16 @ 13486.;
<R172> MO2 + NO = HO2 + NO2 + HCHO # 2.80E-12 @ -300.;
<R173> ETHP + NO = HO2 + NO2 + ACD # 2.6E-12 @ -365.;
<R174> HC3P + NO = 0.660*HO2 + 0.131*MO2 + 0.048*ETHP + 0.089*XO2
+ 0.935*NO2 + 0.504*ACD + 0.132*ALD + 0.165*ACT
+ 0.042*MEK + 0.065*ONIT + 0.4460*DELTA_C # 4.0E-12;
<R175> HC5P + NO = 0.200*HO2 + 0.051*MO2 + 0.231*ETHP + 0.235*XO2
+ 0.864*NO2 + 0.018*HCHO + 0.045*ACD + 0.203*ALD
+ 0.033*MEK + 0.217*ACT + 0.033*KET + 0.272*HKET
+ 0.136*ONIT + 1.4620*DELTA_C # 4.0E-12;
<R177> ETEP + NO = HO2 + NO2 + 1.600*HCHO + 0.200*ALD
- 0.2000*DELTA_C # 9.0E-12;
<R178> OLTP + NO = 0.780*HO2 + 0.970*NO2 + 0.780*HCHO + 0.012*ACD
+ 0.440*ALD + 0.060*ACT + 0.130*MEK + 0.030*ONIT
+ 0.0560*DELTA_C # 4.00E-12;
<R179> OLIP + NO = 0.830*HO2 + 0.950*NO2 + 0.810*ACD + 0.680*ALD
+ 0.200*ACT + 0.090*KET + 0.020*HKET + 0.050*ONIT
+ 0.0300*DELTA_C # 4.00E-12;
! MCM-based aromatics with Lu et al. updates
<ROCARO33> BENP + NO = 0.000*ONIT + 0.0012*VROCP4OXY2
+ 0.0008*VROCN1OXY6 + 0.998*NO2 + 0.998*HO2
+ 0.000*BALD + 0.998*GLY + 0.499*FURANONE
+ 0.2495*DCB2 + 0.2495*DCB3 + 0.0020*DELTA_N
- 0.5042*DELTA_C # 2.7E-12 @ -360.;
<ROCARO43> TOLP + NO = 0.0002*ONIT + 0.0013*VROCP4OXY2
+ 0.0006*VROCN1OXY6 + 0.998*NO2 + 0.998*HO2
+ 0.0852*BALD + 0.5477*GLY + 0.3651*MGLY
+ 0.3651*FURANONE + 0.5477*DCB1 + 0.0018*DELTA_N
- 0.0033*DELTA_C # 2.7E-12 @ -360.;
<ROCARO53> XYLP + NO = 0.0001*ONIT + 0.0013*VROCP3OXY2
+ 0.0006*VROCP0OXY4 + 0.998*NO2 + 0.998*HO2
+ 0.0481*BALD + 0.7029*GLY + 0.247*MGLY
+ 0.3515*FURANONE + 0.5984*DCB2 + 0.0019*DELTA_N
+ 0.4994*DELTA_C # 2.7E-12 @ -360.;
<ROCARO63> EBZP + NO = 0.0002*ONIT + 0.0013*VROCP3OXY2
+ 0.0006*VROCP0OXY4 + 0.998*NO2 + 0.998*HO2
+ 0.0852*BALD + 0.5477*GLY + 0.3651*MGLY
+ 0.4564*FURANONE + 0.4564*DCB2 + 0.0018*DELTA_N
+ 0.6278*DELTA_C # 2.7E-12 @ -360.;
<R189> APIP1 + NO = 0.237*TRPN + 0.763*HO2 + 0.763*NO2 + 0.195*PINAL
+ 0.284*ALD + 0.0865*ACT + 0.1285*LIMAL + 0.308*HCHO
+ 0.0715*OPB + 0.084*KET + 1.8405*DELTA_C
# 2.7E-12 @ -360.;
<TRP13> APIP2 + NO = 0.820*HO + 0.820*NO2 + HOM + 0.1800*DELTA_N
# 4.0E-12;
<TRP14> APINP1 + NO = 1.6955*NO2 + 0.2345*TRPN + 0.070*ONIT
+ 0.6045*PINAL + 0.154*ALD + 0.007*KET + 0.007*HCHO
+ 0.1645*HO2 + 0.8260*DELTA_C # 2.7E-12 @ -360.;
<TRP15> APINP2 + NO = 0.820*NO2 + 0.820*HO + HOM + 1.1800*DELTA_N
# 4.0E-12;
<R190> LIMP1 + NO = 0.230*TRPN + 0.770*NO2 + 0.770*LIMAL + 0.770*HO2
+ 0.430*HCHO - 0.4300*DELTA_C # 2.7E-12 @ -360.;
<TRP16> LIMP2 + NO = 0.770*HO + 0.770*NO2 + HOM + 0.2300*DELTA_N
# 4.0E-12;
<TRP17> LIMNP1 + NO = 0.570*TRPN + 0.070*ONIT + 1.360*NO2 + 0.430*LIMAL
+ 0.500*HO2 - 0.0000*DELTA_N - 0.2800*DELTA_C
# 2.7E-12 @ -360.;
<TRP18> LIMNP2 + NO = 0.770*NO2 + 0.770*HO + HOM + 1.2300*DELTA_N
# 4.0E-12;
<TRP19> PINALP + NO = 0.360*TRPN + 0.640*HOM + 0.640*NO2
# 2.7E-12 @ -360.;
<TRP20> LIMALP + NO = 0.640*TRPN + 0.360*NO2 + 0.360*HO2 + 0.360*HCHO
+ 0.360*PAA + 2.5200*DELTA_C # 2.7E-12 @ -360.;
<R191> ACO3 + NO = MO2 + NO2 + 1.0000*DELTA_C # 8.1E-12 @ -270.;
<R192> RCO3 + NO = ETHP + NO2 + 1.0000*DELTA_C # 8.1E-12 @ -270.;
<R193> ACTP + NO = ACO3 + NO2 + HCHO # 2.9E-12 @ -300.;
<R194> MEKP + NO = 0.670*HO2 + NO2 + 0.330*HCHO + 0.670*DCB1
+ 0.3200*DELTA_C # 4.0E-12;
<R195> KETP + NO = 0.770*HO2 + 0.230*ACO3 + 0.160*XO2 + NO2 + 0.460*ALD
+ 0.540*MGLY + 1.5400*DELTA_C # 4.0E-12;
<R196> MACP + NO = 0.650*MO2 + 0.350*ACO3 + NO2 + 0.650*CO
+ 0.650*HCHO + 1.3500*DELTA_C # 2.54E-12 @ -360.;
<R197> MCP + NO = NO2 + 0.500*HO2 + 0.500*HCHO + HKET
+ 0.5000*DELTA_C # 2.54E-12 @ -360.;
<R198> MVKP + NO = 0.300*HO2 + 0.700*ACO3 + 0.700*XO2 + NO2
+ 0.300*HCHO + 0.700*ALD + 0.300*MGLY
- 0.7000*DELTA_C # 2.54E-12 @ -360.;
<R199> UALP + NO = HO2 + NO2 + 0.610*CO + 0.030*HCHO + 0.270*ALD
+ 0.180*GLY + 0.700*KET + 0.210*MGLY
- 0.9400*DELTA_C # 2.54E-12 @ -360.;
<R200> BALP + NO = BAL1 + NO2 # 4.0E-12;
<R201> BAL1 + NO = BAL2 + NO2 + 1.0000*DELTA_C # 4.0E-12;
<R202> ADDC + NO = HO2 + NO2 + 0.320*HKET + 0.680*GLY + 0.680*OP2
+ 3.3200*DELTA_C # 2.7E-12 @ -360.;
<R203> MCTP + NO = MCTO + NO2 # 2.7E-12 @ -360.;
<R204> ORAP + NO = NO2 + GLY + HO2 # 4.0E-12;
<R205> OLNN + NO = NO2 + HO2 + ONIT - 1.0000*DELTA_C # 4.0E-12;
<R206> OLND + NO = 2.000*NO2 + 0.287*HCHO + 1.240*ALD + 0.464*KET
- 3.3270*DELTA_C # 4.0E-12;
<R207> ADCN + NO = 2.000*NO2 + GLY + OP2 + 2.0000*DELTA_C
# 2.7E-12 @ -360.;
<R208> XO2 + NO = NO2 # 4.0E-12;
<R209> BAL2 + NO2 = ONIT + 2.0000*DELTA_C # 2.0E-11;
<R210> CHO + NO2 = ONIT + 4.0000*DELTA_C # 2.0E-11;
<R211> MCTO + NO2 = ONIT + 3.0000*DELTA_C # 2.08E-12;
<R212> MO2 + HO2 = OP1 # 4.1E-13 @ -750.;
<R213> ETHP + HO2 = OP2 # 7.5E-13 @ -700.;
<R214> HC3P + HO2 = OP2 + 1.0000*DELTA_C # 1.66E-13 @ -1300.;
<R215> HC5P + HO2 = OP2 + 3.0000*DELTA_C # 1.66E-13 @ -1300.;
<R217> ETEP + HO2 = OP2 # 1.90E-13 @ -1300.;
<R218> OLTP + HO2 = OP2 + 1.0000*DELTA_C # 1.66E-13 @ -1300.;
<R219> OLIP + HO2 = OP2 + 3.0000*DELTA_C # 1.66E-13 @ -1300.;
! MCM-based aromatics
<ROCARO32> BENP + HO2 = 0.6021*OP2 + 0.3979*VROCN1OXY6
+ 1.6126*DELTA_C # 2.91E-13 @ -1300.;
<ROCARO42> TOLP + HO2 = 0.7195*OP2 + 0.2805*VROCN1OXY6
+ 3.3170*DELTA_C # 2.91E-13 @ -1300.;
<ROCARO52> XYLP + HO2 = 0.0482*OP2 + 0.6747*OP3 + 0.2771*VROCP0OXY4
- 0.2650*DELTA_C # 2.91E-13 @ -1300.;
<ROCARO62> EBZP + HO2 = 0.0854*OP2 + 0.6341*OP3 + 0.2805*VROCP0OXY4
- 0.0486*DELTA_C # 2.91E-13 @ -1300.;
<R229> APIP1 + HO2 = 0.039*ACT + 0.039*LIMAL + 0.0625*HCHO + 0.762*OPB
+ 0.3225*HO2 + 0.1885*PINAL + 0.238*HO + 0.0105*KET
- 0.1270*DELTA_C # 2.6E-13 @ -1300.;
<TRP21> APIP2 + HO2 = HOM # 1.5E-11;
<TRP22> APINP1 + HO2 = 0.461*TRPN + 0.455*PINAL + 0.539*NO2 + 0.6195*HO
+ 0.077*ALD + 0.007*KET + 0.007*HCHO
+ 0.5670*DELTA_C # 2.71E-13 @ -1300.;
<TRP23> APINP2 + HO2 = HOM + 1.0000*DELTA_N # 1.5E-11;
<R230> LIMP1 + HO2 = 0.900*OPB + 0.100*LIMAL + 0.100*HO + 0.100*HO2
+ 0.060*HCHO - 0.0600*DELTA_C # 2.6E-13 @ -1300.;
<TRP24> LIMP2 + HO2 = HOM # 1.5E-11;
<TRP25> LIMNP1 + HO2 = 0.770*TRPN + 0.500*HO + 0.230*LIMAL + 0.230*NO2
+ 0.270*HO2 # 2.71E-13 @ -1300.;
<TRP26> LIMNP2 + HO2 = HOM + 1.0000*DELTA_N # 1.5E-11;
<TRP27> PINALP + HO2 = 0.750*OPB + 0.250*HO + 0.250*HOM
# 2.71E-13 @ -1300.;
<TRP28> LIMALP + HO2 = 0.900*OPB + 0.100*HO + 0.100*HO2 + 0.100*HCHO
+ 0.100*PAA + 0.7000*DELTA_C # 2.73E-13 @ -1300.;
<R231> ACO3 + HO2 = 0.440*HO + 0.440*MO2 + 0.150*ORA2 + 0.410*PAA
+ 0.4400*DELTA_C # 4.3E-13 @ -1040.;
<R232> RCO3 + HO2 = 0.440*HO + 0.440*ETHP + 0.150*ORA2 + 0.410*PAA
+ 1.0000*DELTA_C # 4.3E-13 @ -1040.;
<R233> ACTP + HO2 = 0.150*HO + 0.150*ACO3 + 0.150*HCHO + 0.850*OP2
+ 0.8500*DELTA_C # 1.15E-13 @ -1300.;
<R234> MEKP + HO2 = OP2 + 2.0000*DELTA_C # 1.15E-13 @ -1300.;
<R235> KETP + HO2 = OP2 + 3.0000*DELTA_C # 1.15E-13 @ -1300.;
<R236> MACP + HO2 = MAHP # 1.82E-13 @ -1300.;
<R237> MCP + HO2 = MAHP # 1.82E-13 @ -1300.;
<R238> MVKP + HO2 = OP2 + 2.0000*DELTA_C # 2.91E-13 @ -1300.;
<R239> UALP + HO2 = OP2 + 3.0000*DELTA_C # 2.91E-13 @ -1300.;
<R240> ADDC + HO2 = OP2 + 5.0000*DELTA_C # 3.75E-13 @ -980.;
<R241> CHO + HO2 = CSL - 1.0000*DELTA_C # 1.00E-11;
<R242> MCTP + HO2 = OP2 + 5.0000*DELTA_C # 3.75E-13 @ -980.;
<R243> ORAP + HO2 = OP2 # 1.15E-13 @ -1300.;
<R244> OLNN + HO2 = ONIT - 1.0000*DELTA_C # 1.66E-13 @ -1300.;
<R245> OLND + HO2 = ONIT - 1.0000*DELTA_C # 1.66E-13 @ -1300.;
<R246> ADCN + HO2 = OP2 + 1.0000*DELTA_N + 4.0000*DELTA_C
# 3.75E-13 @ -980.;
<R247> XO2 + HO2 = OP2 - 2.0000*DELTA_C # 1.66E-13 @ -1300.;
<R248> MO2 + MO2 = 0.740*HO2 + 1.370*HCHO + 0.630*MOH # 9.5E-14 @ -390.;
<R249> ETHP + MO2 = HO2 + 0.750*HCHO + 0.750*ACD + 0.250*MOH
+ 0.250*EOH # 1.18E-13 @ -158.;
<R250> HC3P + MO2 = 0.894*HO2 + 0.080*MO2 + 0.026*ETHP + 0.026*XO2
+ 0.827*HCHO + 0.198*ALD + 0.497*KET + 0.050*GLY
+ 0.250*MOH + 0.250*ROH - 1.1380*DELTA_C
# 9.46E-14 @ -431.;
<R251> HC5P + MO2 = 0.842*HO2 + 0.018*MO2 + 0.140*ETHP + 0.191*XO2
+ 0.777*HCHO + 0.251*ALD + 0.618*KET + 0.250*MOH
+ 0.250*ROH + 0.0820*DELTA_C # 1.0E-13 @ -467.;
<R253> ETEP + MO2 = HO2 + 1.950*HCHO + 0.150*ALD + 0.250*MOH
+ 0.250*ETEG - 0.1500*DELTA_C # 1.71E-13 @ -708.;
<R254> OLTP + MO2 = HO2 + 1.500*HCHO + 0.705*ALD + 0.045*KET
+ 0.250*MOH + 0.250*ROH - 0.8400*DELTA_C
# 1.46E-13 @ -708.;
<R255> OLIP + MO2 = HO2 + 0.750*HCHO + 1.280*ALD + 0.218*KET
+ 0.250*MOH + 0.250*ROH - 0.6800*DELTA_C
# 9.18E-14 @ -708.;
! MCM-based aromatics
<ROCARO35> BENP + MO2 = 0.680*HCHO + 1.370*HO2 + 0.320*MOH + 0.000*BALD
+ GLY + 0.500*FURANONE + 0.250*DCB2 + 0.250*DCB3
- 0.5000*DELTA_C # 3.56E-14 @ -708.;
<ROCARO45> TOLP + MO2 = 0.680*HCHO + 1.2846*HO2 + 0.320*MOH
+ 0.0854*BALD + 0.5488*GLY + 0.3659*MGLY
+ 0.3659*FURANONE + 0.5488*DCB1
- 0.0007*DELTA_C # 3.56E-14 @ -708.;
<ROCARO55> XYLP + MO2 = 0.680*HCHO + 1.3218*HO2 + 0.320*MOH
+ 0.0482*BALD + 0.7043*GLY + 0.2475*MGLY
+ 0.3522*FURANONE + 0.5996*DCB2
+ 0.5051*DELTA_C # 3.56E-14 @ -708.;
<ROCARO65> EBZP + MO2 = 0.680*HCHO + 1.2846*HO2 + 0.320*MOH
+ 0.0854*BALD + 0.5488*GLY + 0.3659*MGLY
+ 0.4573*FURANONE + 0.4573*DCB2
+ 0.6339*DELTA_C # 3.56E-14 @ -708.;
<R264> ISOP + MO2 = HO2 + 1.310*HCHO + 0.159*MACR + 0.250*MVK
+ 0.250*MOH + 0.250*ROH + 0.023*ALD + 0.018*GLY
+ 0.016*HKET + 1.9010*DELTA_C # 3.4E-14 @ -221.;
<R265> APIP1 + MO2 = 1.0295*HCHO + 0.2205*LIMAL + 0.273*PINAL
+ 0.2385*ALD + 0.0845*OPB + 0.1105*MOH + 0.1835*KET
+ 0.067*ACT + 1.279*HO2 + 2.2460*DELTA_C # 2.00E-12;
<TRP29> APIP2 + MO2 = HO2 + 0.750*HCHO + 0.250*MOH + HOM # 1.00E-10;
<TRP30> APINP1 + MO2 = 0.341*TRPN + 0.964*HCHO + 0.043*MOH + 0.918*HO2
+ 0.659*NO2 + 0.533*PINAL + 0.007*KET + 0.119*ALD
+ 0.8610*DELTA_C # 2.00E-12;
<TRP31> APINP2 + MO2 = 0.750*HO2 + 0.750*NO2 + 0.250*MOH + 0.750*HCHO
+ HOM + 0.2500*DELTA_N # 1.00E-10;
<R266> LIMP1 + MO2 = 0.250*MOH + LIMAL + 1.030*HCHO + HO2
- 0.2800*DELTA_C # 2.00E-12;
<TRP32> LIMP2 + MO2 = HO2 + 0.750*HCHO + 0.250*MOH + HOM # 1.00E-10;
<TRP33> LIMNP1 + MO2 = 0.690*TRPN + 0.910*HCHO + 0.090*MOH + 1.010*HO2
+ 0.310*LIMAL + 0.310*NO2 # 2.0E-12;
<TRP34> LIMNP2 + MO2 = 0.750*HO2 + 0.750*HCHO + 0.750*NO2 + 0.250*MOH
+ HOM + 0.2500*DELTA_N # 1.00E-10;
<R267> ACO3 + MO2 = 0.900*HO2 + 0.900*MO2 + HCHO + 0.100*ORA2
+ 0.9000*DELTA_C # 2.0E-11 @ -500.;
<R268> RCO3 + MO2 = 0.900*HO2 + 0.900*MO2 + HCHO + 0.100*ORA2
+ 1.9000*DELTA_C # 2.0E-11 @ -500.;
<R269> ACTP + MO2 = 0.500*HO2 + 0.500*ACO3 + 1.500*HCHO + 0.250*MOH
+ 0.250*ROH + 0.125*ORA2 + 0.2500*DELTA_C
# 7.5E-13 @ -500.;
<R270> MEKP + MO2 = 0.834*HO2 + HCHO + 0.334*DCB1 + 0.250*MOH
+ 0.250*ROH + 1.3300*DELTA_C # 6.91E-13 @ -508.;
<R271> KETP + MO2 = HO2 + 0.750*HCHO + 0.500*DCB1 + 0.250*MOH
+ 0.250*ROH + 1.7500*DELTA_C # 6.91E-13 @ -508.;
<R272> MACP + MO2 = 0.500*HO2 + 0.269*ACO3 + 0.500*CO + 1.660*HCHO
+ 0.067*ORA2 + 0.250*MO2 + 0.250*MOH + 0.250*ROH
+ 0.9180*DELTA_C # 3.4E-14 @ -221.;
<R273> MCP + MO2 = NO2 + HO2 + 1.500*HCHO + 0.500*HKET + 0.250*MOH
+ 0.250*ROH - 1.0000*DELTA_N + 1.0000*DELTA_C
# 3.4E-14 @ -221.;
<R274> MVKP + MO2 = HO2 + 1.160*ACO3 + 1.160*XO2 + 1.500*HCHO
+ 1.750*ALD + 0.500*MGLY + 0.250*MOH + 0.250*ROH
+ 0.292*ORA2 - 7.1540*DELTA_C # 8.37E-14;
<R275> UALP + MO2 = HO2 + 0.305*CO + 0.773*HCHO + 0.203*ALD + 0.525*KET
+ 0.135*GLY + 0.105*MGLY + 0.250*MOH + 0.250*ROH
+ 0.1030*DELTA_C # 3.4E-14 @ -221.;
<R276> BALP + MO2 = HO2 + BAL1 + HCHO # 3.56E-14 @ -708.;
<R277> BAL1 + MO2 = HO2 + BAL2 + HCHO + 1.0000*DELTA_C
# 3.56E-14 @ -708.;
<R278> ADDC + MO2 = 2.000*HO2 + HCHO + 0.320*HKET + 0.680*GLY
+ 0.680*OP2 + 3.3200*DELTA_C # 3.56E-14 @ -708.;
<R279> MCTP + MO2 = HO2 + MCTO + HCHO # 3.56E-14 @ -708.;
<R280> ORAP + MO2 = HCHO + HO2 + GLY # 7.50E-13 @ -500.;
<R281> OLNN + MO2 = 2.000*HO2 + HCHO + ONIT - 1.0000*DELTA_C
# 1.6E-13 @ -708.;
<R282> OLND + MO2 = 0.500*HO2 + 0.500*NO2 + 0.965*HCHO + 0.930*ALD
+ 0.348*KET + 0.250*MOH + 0.250*ROH + 0.500*ONIT
- 4.4950*DELTA_C # 9.68E-14 @ -708.;
<R283> ADCN + MO2 = HO2 + 0.700*NO2 + HCHO + 0.700*GLY + 0.700*OP2
+ 0.300*ONIT + 2.0000*DELTA_C # 3.56E-14;
<R284> XO2 + MO2 = HO2 + HCHO # 5.99E-15 @ -1510.;
<R285> ETHP + ACO3 = 0.500*HO2 + 0.500*MO2 + ACD + 0.500*ORA2
+ 0.5000*DELTA_C # 1.03E-12 @ -211.;
<R286> HC3P + ACO3 = 0.394*HO2 + 0.580*MO2 + 0.026*ETHP + 0.026*XO2
+ 0.130*HCHO + 0.273*ALD + 0.662*KET + 0.067*GLY
+ 0.500*ORA2 - 1.0250*DELTA_C # 6.9E-13 @ -460.;
<R287> HC5P + ACO3 = 0.342*HO2 + 0.518*MO2 + 0.140*ETHP + 0.191*XO2
+ 0.042*HCHO + 0.381*ALD + 0.824*KET + 0.500*ORA2
- 0.1030*DELTA_C # 5.59E-13 @ -522.;
<R289> ETEP + ACO3 = 0.500*HO2 + 0.500*MO2 + 1.600*HCHO + 0.200*ALD
+ 0.500*ORA2 + 0.3000*DELTA_C # 9.48E-13 @ -765.;
<R290> OLTP + ACO3 = 0.500*HO2 + 0.500*MO2 + HCHO + 0.940*ALD
+ 0.060*KET + 0.500*ORA2 - 0.6200*DELTA_C
# 8.11E-13 @ -765.;
<R291> OLIP + ACO3 = 0.500*HO2 + 0.500*MO2 + 1.710*ALD + 0.290*KET
+ 0.500*ORA2 - 1.0800*DELTA_C # 5.09E-13 @ -765.;
! MCM-based aromatics
<ROCARO36> BENP + ACO3 = 0.700*MO2 + HO2 + 0.300*ORA2 + 0.000*BALD
+ GLY + 0.500*FURANONE + 0.250*DCB2
+ 0.250*DCB3 + 0.2000*DELTA_C # 7.4E-13 @ -765.;
<ROCARO46> TOLP + ACO3 = 0.700*MO2 + 0.9146*HO2 + 0.300*ORA2
+ 0.0854*BALD + 0.5488*GLY + 0.3659*MGLY
+ 0.3659*FURANONE + 0.5488*DCB1
+ 0.6993*DELTA_C # 7.4E-13 @ -765.;
<ROCARO56> XYLP + ACO3 = 0.700*MO2 + 0.9518*HO2 + 0.300*ORA2
+ 0.0482*BALD + 0.7043*GLY + 0.2475*MGLY
+ 0.3522*FURANONE + 0.5996*DCB2
+ 1.2051*DELTA_C # 7.4E-13 @ -765.;
<ROCARO66> EBZP + ACO3 = 0.700*MO2 + 0.9146*HO2 + 0.300*ORA2
+ 0.0854*BALD + 0.5488*GLY + 0.3659*MGLY
+ 0.4573*FURANONE + 0.4573*DCB2
+ 1.3339*DELTA_C # 7.4E-13 @ -765.;
<R300> ISOP + ACO3 = 0.500*HO2 + 0.500*MO2 + 1.048*HCHO + 0.219*MACR
+ 0.305*MVK + 0.500*ORA2 + 2.3560*DELTA_C
# 8.4E-14 @ -221.;
<R301> APIP1 + ACO3 = 0.2535*PINAL + 0.371*ALD + 0.091*OPB + 0.1165*ACT
+ 0.1725*LIMAL + 0.403*HCHO + HO2 + MO2
+ 0.112*KET + 3.4045*DELTA_C # 2.0E-12 @ -500.;
<TRP35> APIP2 + ACO3 = 0.500*HO + 0.500*MO2 + 0.500*ORA2 + HOM
+ 0.5000*DELTA_C # 1.0E-10;
<TRP36> APINP1 + ACO3 = 0.825*NO2 + 0.650*PINAL + MO2 + 0.175*TRPN
+ 0.168*ALD + 0.007*KET + 0.007*HCHO + 0.175*HO2
+ 2.2040*DELTA_C # 2.0E-12 @ -500.;
<TRP37> APINP2 + ACO3 = 0.500*NO2 + 0.500*MO2 + 0.500*ORA2 + HOM
+ 0.5000*DELTA_N + 0.5000*DELTA_C # 1.0E-10;
<R302> LIMP1 + ACO3 = LIMAL + 0.560*HCHO + HO2 + MO2 + 0.4400*DELTA_C
# 2.0E-12 @ -500.;
<TRP38> LIMP2 + ACO3 = 0.500*HO + 0.500*MO2 + 0.500*ORA2 + HOM
+ 0.5000*DELTA_C # 1.0E-10;
<TRP39> LIMNP1 + ACO3 = MO2 + 0.460*NO2 + 0.460*LIMAL + 0.540*TRPN
+ 0.540*HO2 + 1.0000*DELTA_C # 2.0E-12 @ -500.;
<TRP40> LIMNP2 + ACO3 = 0.500*MO2 + 0.500*NO2 + 0.500*ORA2 + HOM
+ 0.5000*DELTA_N + 0.5000*DELTA_C # 1.0E-10;
<R303> ACO3 + ACO3 = 2.000*MO2 + 2.0000*DELTA_C # 2.5E-12 @ -500.;
<R304> RCO3 + ACO3 = MO2 + ETHP + 2.0000*DELTA_C # 2.5E-12 @ -500.;
<R305> ACTP + ACO3 = 0.500*MO2 + 0.500*ACO3 + HCHO + 0.750*ORA2
+ 1.0000*DELTA_C # 7.51E-13 @ -565.;
<R306> MEKP + ACO3 = 0.330*HO2 + 0.500*MO2 + 0.330*HCHO + 0.334*DCB1
+ 0.500*ORA2 + 2.5000*DELTA_C # 7.51E-13 @ -565.;
<R307> KETP + ACO3 = 0.500*HO2 + 0.500*MO2 + 0.500*DCB1 + 0.500*ORA2
+ 3.0000*DELTA_C # 7.51E-13 @ -565.;
<R308> MACP + ACO3 = 0.635*ORA2 + 0.500*MO2 + 0.269*ACO3 + 0.500*CO
+ HCHO + 2.1920*DELTA_C # 8.4E-14 @ -221.;
<R309> MCP + ACO3 = NO2 + 0.500*HO2 + HCHO + 0.500*HKET + 0.500*MO2
+ 0.500*ORA2 - 1.0000*DELTA_N + 2.0000*DELTA_C
# 8.4E-14 @ -221.;
<R310> MVKP + ACO3 = 0.500*HO2 + 0.500*MO2 + 1.160*ACO3 + 1.160*XO2
+ HCHO + 2.300*ALD + 0.500*MGLY + 1.083*ORA2
- 8.3860*DELTA_C # 1.68E-12 @ -500.;
<R311> UALP + ACO3 = 0.500*HO2 + 0.500*MO2 + 0.500*CO + 0.030*HCHO
+ 0.270*ALD + 0.700*KET + 0.180*GLY + 0.105*MGLY
+ 0.500*ORA2 - 0.0150*DELTA_C # 1.68E-12 @ -500.;
<R312> BALP + ACO3 = MO2 + BAL1 + 1.0000*DELTA_C # 7.4E-13 @ -765.;
<R313> BAL1 + ACO3 = MO2 + BAL2 + 2.0000*DELTA_C # 7.4E-13 @ -765.;
<R314> ADDC + ACO3 = 2.000*HO2 + MO2 + 0.320*HKET + 0.680*GLY
+ 0.680*OP2 + 4.3200*DELTA_C # 7.4E-13 @ -708.;
<R315> MCTP + ACO3 = HO2 + MO2 + MCTO + 1.0000*DELTA_C
# 7.4E-13 @ -708.;
<R316> ORAP + ACO3 = MO2 + GLY + 1.0000*DELTA_C # 7.51E-13 @ -565.;
<R317> OLNN + ACO3 = HO2 + MO2 + ONIT # 8.85E-13 @ -765.;
<R318> OLND + ACO3 = 0.500*MO2 + NO2 + 0.287*HCHO + 1.240*ALD
+ 0.464*KET + 0.500*ORA2 - 2.8270*DELTA_C
# 5.37E-13 @ -765.;
<R319> ADCN + ACO3 = HO2 + MO2 + 0.700*NO2 + 0.700*GLY + 0.700*OP2
+ 0.300*ONIT + 3.0000*DELTA_C # 7.4E-13 @ -708.;
<R320> XO2 + ACO3 = MO2 + 1.0000*DELTA_C # 3.4E-14 @ -1560.;
<R321> RCO3 + RCO3 = 2.000*ETHP + 2.0000*DELTA_C # 2.50E-12 @ -500.0;
<R322> MO2 + NO3 = HO2 + HCHO + NO2 # 1.20E-12;
<R323> ETHP + NO3 = HO2 + NO2 + ACD # 1.2E-12;
<R324> HC3P + NO3 = 0.254*HO2 + 0.140*MO2 + 0.092*XO2 + 0.503*ETHP
+ NO2 + 0.519*ACD + 0.147*ALD + 0.075*MEK
+ 0.095*ACT - 0.2100*DELTA_C # 1.20E-12;
<R325> HC5P + NO3 = 0.488*HO2 + 0.055*MO2 + 0.280*ETHP + 0.485*XO2
+ NO2 + 0.024*HCHO + 0.241*ALD + 0.060*KET
+ 0.063*MEK + 0.247*ACT + 0.048*ACD + 0.275*HKET
+ 1.4240*DELTA_C # 1.20E-12;
<R327> ETEP + NO3 = HO2 + NO2 + 1.600*HCHO + 0.200*ALD
- 0.2000*DELTA_C # 1.2E-12;
<R328> OLTP + NO3 = 0.470*ALD + 0.790*HCHO + 0.790*HO2 + NO2
+ 0.180*MEK + 0.020*ACD + 0.090*ACT
- 0.2300*DELTA_C # 1.20E-12;
<R329> OLIP + NO3 = 0.860*HO2 + 0.720*ALD + 0.110*KET + NO2 + 0.200*ACT
+ 0.850*ACD + 0.040*HKET - 0.1300*DELTA_C # 1.20E-12;
! MCM-based aromatics
<ROCARO34> BENP + NO3 = NO2 + HO2 + 0.000*BALD + GLY + 0.500*FURANONE
+ 0.250*DCB2 + 0.250*DCB3 - 0.5000*DELTA_C
# 2.3E-12;
<ROCARO44> TOLP + NO3 = NO2 + 0.9146*HO2 + 0.0854*BALD + 0.5488*GLY
+ 0.3659*MGLY + 0.3659*FURANONE + 0.5488*DCB1
- 0.0007*DELTA_C # 2.3E-12;
<ROCARO54> XYLP + NO3 = NO2 + 0.9518*HO2 + 0.0482*BALD + 0.7043*GLY
+ 0.2475*MGLY + 0.3522*FURANONE + 0.5996*DCB2
+ 0.5051*DELTA_C # 2.3E-12;
<ROCARO64> EBZP + NO3 = NO2 + 0.9146*HO2 + 0.0854*BALD + 0.5488*GLY
+ 0.3659*MGLY + 0.4573*FURANONE + 0.4573*DCB2
+ 0.6339*DELTA_C # 2.3E-12;
<R338> ISOP + NO3 = HO2 + NO2 + 0.750*HCHO + 0.318*MACR + 0.500*MVK
+ 0.024*GLY + 0.033*HKET + 0.031*ALD
+ 0.7380*DELTA_C # 1.2E-12;
<R339> APIP1 + NO3 = NO2 + HO2 + 0.2535*PINAL + 0.371*ALD + 0.1165*ACT
+ 0.1725*LIMAL + 0.403*HCHO + 0.091*OPB + 0.112*KET
+ 2.4045*DELTA_C # 2.3E-12;
<R340> LIMP1 + NO3 = HO2 + NO2 + LIMAL + 0.560*HCHO - 0.5600*DELTA_C
# 2.3E-12;
<TRP53> APINP1 + NO3 = 1.825*NO2 + 0.650*PINAL + 0.175*TRPN + 0.168*ALD
+ 0.007*KET + 0.007*HCHO + 0.175*HO2
+ 1.2040*DELTA_C # 2.3E-12;
<TRP54> LIMNP1 + NO3 = 1.460*NO2 + 0.460*LIMAL + 0.540*TRPN
+ 0.540*HO2 # 2.3E-12;
<R341> ACO3 + NO3 = MO2 + NO2 + 1.0000*DELTA_C # 4.0E-12;
<R342> RCO3 + NO3 = ETHP + NO2 + 1.0000*DELTA_C # 4.0E-12;
<R343> ACTP + NO3 = ACO3 + NO2 + HCHO # 1.2E-12;
<R344> MEKP + NO3 = 0.670*HO2 + NO2 + 0.330*HCHO + 0.670*DCB1
+ 0.3200*DELTA_C # 1.2E-12;
<R345> KETP + NO3 = HO2 + NO2 + DCB1 # 1.2E-12;
<R346> MACP + NO3 = HCHO + 0.538*ACO3 + CO + NO2 + 0.9240*DELTA_C
# 1.2E-12;
<R347> MCP + NO3 = NO2 + HO2 + HCHO + HKET # 1.2E-12;
<R348> MVKP + NO3 = 0.300*HO2 + 0.700*ACO3 + 0.700*XO2 + NO2
+ 0.300*HCHO + 0.700*ALD + 0.300*MGLY
- 0.7000*DELTA_C # 2.5E-12;
<R349> UALP + NO3 = HO2 + NO2 + 0.610*CO + 0.030*HCHO + 0.270*ALD
+ 0.700*KET + 0.180*GLY + 0.210*MGLY
- 0.9400*DELTA_C # 2.5E-12;
<R350> BALP + NO3 = BAL1 + NO2 # 2.5E-12;
<R351> BAL1 + NO3 = BAL2 + NO2 + 1.0000*DELTA_C # 2.5E-12;
<R352> ADDC + NO3 = HO2 + NO2 + 0.320*HKET + 0.680*GLY + 0.680*OP2
+ 3.3200*DELTA_C # 1.2E-12;
<R353> MCTP + NO3 = NO2 + MCTO # 1.2E-12;
<R354> ORAP + NO3 = NO2 + GLY + HO2 # 1.2E-12;
<R355> OLNN + NO3 = HO2 + NO2 + ONIT - 1.0000*DELTA_C # 1.2E-12;
<R356> OLND + NO3 = 2.000*NO2 + 0.287*HCHO + 1.240*ALD + 0.464*KET
- 3.3270*DELTA_C # 1.2E-12;
<R357> ADCN + NO3 = 2.000*NO2 + GLY + OP2 + 2.0000*DELTA_C # 1.2E-12;
<R358> OLNN + OLNN = HO2 + 2.000*ONIT - 2.0000*DELTA_C
# 7.0E-14 @ -1000.;
<R359> OLNN + OLND = 0.500*HO2 + 0.500*NO2 + 0.202*HCHO + 0.640*ALD
+ 0.149*KET + 1.500*ONIT - 2.8670*DELTA_C
# 4.25E-14 @ -1000.;
<R360> OLND + OLND = NO2 + 0.504*HCHO + 1.210*ALD + 0.285*KET + ONIT
- 3.5590*DELTA_C # 2.96E-14 @ -1000.;
<R361> XO2 + NO3 = NO2 # 1.2E-12;
<R362> XO2 + RCO3 = ETHP + 1.0000*DELTA_C # 2.5E-12 @ -500.;
<R363> XO2 + XO2 = # 7.13E-17 @ -2950.;
<TRP41> APIP2 + APIP1 = 0.960*HOM + 0.480*ROH + 0.480*PINAL + 0.480*HO
+ 0.480*HO2 + 0.040*ELHOM + 3.3600*DELTA_C
#1.00E-10;
<TRP42> APIP2 + LIMP1 = 0.960*HOM + 0.480*ROH + 0.480*LIMAL + 0.480*HO
+ 0.480*HO2 + 0.040*ELHOM + 3.3600*DELTA_C
#1.00E-10;
<TRP43> APIP2 + ISOP = 0.960*HOM + 0.480*ROH + 0.480*HCHO + 0.480*MVK
+ 0.480*HO + 0.480*HO2 + 0.040*ELHOM
+ 0.7600*DELTA_C #1.00E-10;
<TRP44> LIMP2 + APIP1 = 0.960*HOM + 0.480*ROH + 0.480*PINAL + 0.480*HO
+ 0.480*HO2 + 0.040*ELHOM + 3.3600*DELTA_C
#1.00E-10;
<TRP45> LIMP2 + LIMP1 = 0.960*HOM + 0.480*ROH + 0.480*LIMAL + 0.480*HO
+ 0.480*HO2 + 0.040*ELHOM + 3.3600*DELTA_C
#1.00E-10;
<TRP46> LIMP2 + ISOP = 0.960*HOM + 0.480*ROH + 0.480*HCHO + 0.480*MVK
+ 0.480*HO + 0.480*HO2 + 0.040*ELHOM
+ 0.7600*DELTA_C #1.00E-10;
<TRP47> APINP2 + APIP1 = 0.960*HOM + 0.480*ROH + 0.480*PINAL
+ 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM
+ 0.5200*DELTA_N + 3.3600*DELTA_C #1.00E-10;
<TRP48> APINP2 + LIMP1 = 0.960*HOM + 0.480*ROH + 0.480*LIMAL
+ 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM
+ 0.5200*DELTA_N + 3.3600*DELTA_C #1.00E-10;
<TRP49> APINP2 + ISOP = 0.960*HOM + 0.480*ROH + 0.480*HCHO + 0.480*MVK
+ 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM
+ 0.5200*DELTA_N + 0.7600*DELTA_C #1.00E-10;
<TRP50> LIMNP2 + APIP1 = 0.960*HOM + 0.480*ROH + 0.480*PINAL
+ 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM
+ 0.5200*DELTA_N + 3.3600*DELTA_C #1.00E-10;
<TRP51> LIMNP2 + LIMP1 = 0.960*HOM + 0.480*ROH + 0.480*LIMAL
+ 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM
+ 0.5200*DELTA_N + 3.3600*DELTA_C #1.00E-10;
<TRP52> LIMNP2 + ISOP = 0.960*HOM + 0.480*ROH + 0.480*HCHO + 0.480*MVK
+ 0.480*NO2 + 0.480*HO2 + 0.040*ELHOM
+ 0.5200*DELTA_N + 0.7600*DELTA_C #1.00E-10;
! SOA related reactions
<RAM17> IEPOX + HO = HO + 5.0000*DELTA_C # 5.78E-11@400;
! VROCIOXY added with behavior like ETHP
! 12.0% by mass (14.8% by mole) SOA yield added
! kOH set to emission weighted value
<R001c> VROCIOXY + HO = 0.852*ETHP + 0.149*ASOATJ + 5.0000*DELTA_SI
+ 7.2529*DELTA_C # 6.89E-12;
! assume SLOWROC, which has effectively 2.1C, makes ethane-like RO2 with SLOWROC emission weighted kOH
<R002c> SLOWROC + HO = ETHP + 0.00101*ASOATJ + 1.0000*DELTA_N
- 1.0070*DELTA_C # 6.55E-14;
! HAP chemistry
! ELD uncommented ACRO photolysis 11/18/21, kept photolysis rate constant that was already here
<T17> ACRO + HO = 0.570*MACP + 0.430*MCP - 1.0000*DELTA_C
# 8.E-12@-380;
<T18> ACRO + O3 = 0.840*CO + 0.560*HO2 + 0.280*HO + 0.720*HCHO
+ 0.620*GLY + 0.2000*DELTA_C # 2.9E-19;
<T19> ACRO + NO3 = 0.680*HCHO + 0.320*MACP + 0.680*XO2 + 0.680*MGLY
+ 0.320*HNO3 + 0.680*NO2 - 1.0000*DELTA_C # 3.4E-15;
! 0.219*CH4 product removed from ACRO due to fixed CH4 conc
<T20> ACRO = CO + 0.477*HO2 + 0.250*ETE + 0.354*ACO3 + 0.204*HO
+ 0.150*HCHO + 0.027*MO2 + 0.6150*DELTA_C # 1.0/<ACRO_09>;
! BDE13 from SAPRC18/mechgen with MCM rate constant for T10
<T10> BDE13 + HO = 0.667*BDE13P + 0.333*UALD + 0.333*HO2
- 0.3330*DELTA_C # 1.48E-11@-448.;
<T10a> BDE13P + NO = 0.968*HO2 + 0.968*NO2 + 0.895*ACRO + 0.895*HCHO
+ 0.072*FURAN + 0.032*ONIT - 0.0680*DELTA_C
# 9.05E-12;
<T10b> BDE13P + NO3 = HO2 + NO2 + 0.925*ACRO + 0.925*HCHO
+ 0.075*FURAN - 0.0750*DELTA_C #2.3E-12;
<T10c> BDE13P + HO2 = OP2 + 2.0000*DELTA_C # 1.61E-11;
<T10d> BDE13P + MO2 = 0.320*MOH + 1.143*HCHO + 0.870*HO2 + 0.463*ACRO
+ 0.250*OLT + 0.231*MVK + 0.037*FURAN + 0.019*UALD
+ 0.1940*DELTA_C # 2.39E-12;
<T10e> BDE13P + ACO3 = 0.700*MO2 + 0.300*ORA2 + 0.800*HO2 + 0.740*ACRO
+ 0.740*HCHO + 0.185*MVK + 0.060*FURAN
+ 0.015*UALD + 0.6250*DELTA_C # 1.37E-11;
<T11> BDE13 + O3 = 0.620*ACRO + 0.630*CO + 0.420*HO2 + 0.080*HO
+ 0.830*HCHO + 0.170*ETE + 0.3400*DELTA_C
# 1.34E-14@2283.;
<T12> BDE13 + NO3 = 0.900*OLNN + 0.100*OLND + 0.900*ACRO
- 1.7000*DELTA_C # 1E-13;
! Furans based on 5 species aggregate using Wang et al. JGR 2021, Schwantes, and Coggon
! Use RACM2 o-xylene RO2+HO2, RACM2 (same as MCM) RO2+NO rate constants
! SOA yield taken from Table S1 of Bruns et al. 2016 Sci Rep and mass removed from KET product
<R003c> FURAN + HO = 0.490*DCB1 + 0.490*HO2 + 0.510*FURANO2 # 5.01E-11;
<R004c> FURANO2 + NO = 0.080*ONIT + 0.920*NO2 + 0.920*FURANONE
+ 0.750*HO2 + 0.170*MO2 + 0.8300*DELTA_C
# 2.7E-12 @ -360.;
<R005c> FURANO2 + HO2 = 0.600*OP2 + 0.400*FURANONE + 0.400*HO
+ 0.320*HO2 + 0.080*MO2 + 2.1200*DELTA_C
# 3.75E-13 @ -980.;
<R006c> FURANONE + HO = 0.650*KET + 0.310*GLY + 0.660*HO2 + 0.340*MO2
+ 0.430*CO + 0.040*ASOATJ - 0.9200*DELTA_C
# 4.40E-11;
<R007c> FURAN + O3 = 0.020*HO + ALD + 2.0000*DELTA_C # 3.43E-17;
<R008c> FURAN + NO3 = NO2 + 0.800*DCB1 + 0.200*DCB3 + 0.2000*DELTA_C
# 8.99E-12;
! PROG based on Coggon et al. and MCM http://mcm.york.ac.uk/browse.htt?species=PROPGLY
<R010c> PROG + HO = 0.613*HKET + 0.387*ALD + HO2 #1.20E-11;
! Sesquiterpenes based on MCM b-caryophyllene with autoxidation
! added to O3 channel following Richters et al. 2016 ES&T
<R011c> SESQ + NO3 = SESQNRO2 # 1.9E-11;
<R012c> SESQNRO2 + HO2 = VROCP0OXY4 + 1.0000*DELTA_N + 5.0000*DELTA_C
# 2.84E-13 @ -1300.0;
<R013c> SESQNRO2 + NO = VROCP3OXY2 + 2.000*NO2 + 4.0000*DELTA_C
# 2.70E-12 @ -360.0;
<R014c> SESQNRO2 + NO3 = VROCP3OXY2 + 2.000*NO2 + 4.0000*DELTA_C
# 2.3E-12;
<R015c> SESQ + O3 = 0.982*VROCP3OXY2 + 0.018*VROCN2OXY2
+ 3.8920*DELTA_C # 1.2E-14;
<R016c> SESQ + HO = SESQRO2 # 1.97E-10;
<R017c> SESQRO2 + HO2 = VROCP0OXY2 + 1.0000*DELTA_C
# 2.84E-13 @ -1300.0;
<R019c> SESQRO2 + NO3 = VROCP3OXY2 + 1.0000*DELTA_N + 4.0000*DELTA_C
# 2.3E-12;
<R020c> SESQRO2 + NO = 0.247*VROCP1OXY3 + 0.753*VROCP3OXY2 + 0.753*NO2
+ 0.2470*DELTA_N + 4.0000*DELTA_C
# 2.70E-12 @ -360.0;
! GLY and MGLY uptake
<HET_GLY> GLY = AGLYJ - 4.0000*DELTA_C # 1.0~<HETERO_GLY>;
<HET_MGLY> MGLY = AGLYJ - 3.0000*DELTA_C # 1.0~<HETERO_MGLY>;
! heteorogeneous reactions from hetchem and poaaging routines version 5.0.2
<HET_N2O5> N2O5 = 2.000*HNO3 # 1.0~<HETERO_N2O5IJ>;
<HET_NO2> NO2 = 0.500*HONO + 0.500*HNO3 # 1.0~<HETERO_NO2>;
! hetorogeneous uptake of HO2
<HET_HO2> HO2 = # 1.0~<HETERO_HO2>;
! heterogeneous uptake of NO3
<HET_NO3> NO3 = HNO3 # 1.0~<HETERO_NO3>;
! Simplified ozone loss from oceanic halogens excluding chlorine
<HAL_Ozone> O3 = %H # [email protected] & [email protected] & 2.0E-6;
<HET_IEPOX> IEPOX = IEPOXP + 5.0000*DELTA_C # 1.0~<HETERO_IEPOX>;
<HET_ISO3TET> IEPOXP = AISO3NOSJ - 5.0000*DELTA_C
# 1.0~<HETERO_ISO3NOSJ>;
<HET_IEPOXOS> IEPOXP + ASO4J = AISO3OSJ - 5.0000*DELTA_C
# 1.0~<HETERO_ISO3OSJ>;
! AMORE Heterogeneous reactions
<HET_IPX> IPX = AISO4J # 2.0~<HETERO_IEPOX>;
<HET_INALD> INALD = AISO5J + HNO3 # 0.5~<HETERO_IEPOX>;