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mech_cracmm1amore_aq.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
!------------------------------------------------------------------------------
CRACMM1AMORE_AQ
ELIMINATE =
XN;
XC;
CO2;
END ELIMINATE
REACTIONS[CM] =
<R001> O3 = O3P # 1.0/<O3O3P_NASA06>;
<R002> O3 = O1D # 1.0/<O3O1D_NASA06>;
<R003> H2O2 = 2.0*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 = 0.20*HO + 0.80*HO2
+ 0.80*NO2
+ 0.20*NO3 # 1.0/<HNO4_RACM2>;
<R010> HCHO = CO # 1.0/<HCHO_MOL_JPL19>;
<R011> HCHO = HO2 + 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 = 2.0*MO2 + CO # 1.0/<CH3COCH3B_JPL19>;
<R015> UALD = 1.22*HO2 + 0.784*ACO3
+ 1.22*CO
+ 0.35*HCHO
+ 0.434*ALD
+ 0.216*KET # 1.0/<UALD_RACM2>;
<TRP01> PINAL = HO2 + HC10P
+ CO # 1.0/<ALD_JPL19>;
<TRP02> LIMAL = HO2 + HC10P
+ CO # 1.0/<ALD_JPL19>;
<R016> MEK = 0.10*MO2 + ETHP
+ 0.9*ACO3
+ 0.1*CO # 1.0/<MEK_JGR19>;
<R017> KET = 1.5*ETHP + 0.5*ACO3
+ 0.5*CO # 1.0/<KET_JGR19>;
<R018> HKET = HO2 + ACO3
+ HCHO # 1.0/<HKET_RACM2>;
<R019> MACR = 0.34*HO + 0.66*HO2
+ 0.67*ACO3
+ 0.33*MACP
+ 0.34*XO2
+ 0.67*CO
+ 0.67*HCHO # 1.0/<MACR_RACM2>;
<R020> MVK = 0.3*MO2 + 0.3*MACP
+ 0.7*CO
+ 0.7*UALD # 1.0/<MVK_RACM2>;
<R021> GLY = 2*CO # 1.0/<GLYH2_RACM2>;
<R022> GLY = HCHO + CO # 1.0/<GLYF_RACM2>;
<R023> GLY = 2*HO2 + 2*CO # 1.0/<GLYHX_RACM2>;
<R024> MGLY = HO2 + ACO3
+ CO # 1.0/<MGLY_RACM2>;
<R025> DCB1 = 1.5*HO2 + 0.25*ACO3
+ 0.2*XO2
+ CO
+ 0.5*GLY
+ 0.5*MGLY # 1.0/<MGLY_RACM2>;
<R026> DCB2 = 1.5*HO2 + 0.25*ACO3
+ 0.2*XO2
+ CO
+ 0.5*GLY
+ 0.5*MGLY # 1.0/<MGLY_RACM2>;
<R027> BALD = CHO + HO2
+ CO # 1.0/<BALD_RACM2>;
<R028> OP1 = HO + HO2
+ HCHO # 1.0/<OP1_RACM2>;
<R029> OP2 = HO + HO2
+ ALD # 1.0/<OP1_RACM2>;
<TRP03> OPB = HO + HO2
+ ALD # 1.0/<OP1_RACM2>;
<R029a> OP3 = HO + HO2
+ ALD # 1.0/<OP1_RACM2>;
<R030> PAA = HO + MO2 # 1.0/<PAA_RACM2>;
<R031> ONIT = HO2 + NO2
+ 0.20*ALD
+ 0.80*KET # 1.0/<ONIT_RACM2>;
<R032> PAN = ACO3 + NO2 # 1.0/<PAN1_RACM2>;
<R033> PAN = MO2 + NO3 # 1.0/<PAN2_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 = 2.0*HO # 1.63E-10 @ -60.0;
<R043> H2 + HO = 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]&
<R052> NO + NO + O2 = 2.0*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 = 0.7*HO + 0.7*NO2
+ 0.3*HNO3 # 3.50E-12;
<R060> NO3 + NO = 2.0*NO2 # 1.7E-11 @ -125.;
<R061> NO3 + NO2 = NO + NO2 # 4.35E-14 @ 1335.;
<R062> NO3 + NO3 = 2.0*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 = 2.0*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 %3 # 1.44E-13 @ 0.0 &
2.74E-33 @ 0.0;
<R071> CH4 + HO = MO2 # 2.45E-12 @ 1775.;
<R072> ETH + HO = ETHP # 7.66E-12 @ 1020.;
<R073> HC3 + HO = HC3P + 0.0000281*ASOATJ # 7.68E-12 @ 370.;
<R074> HC5 + HO = HC5P + 0.00134*ASOATJ # 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, XYM
<ROCARO31> BEN + HO = 0.4700*BENP + 0.5300*PHEN
+ 0.5300*HO2 # 2.33E-12 @ 193.;
<ROCARO41> TOL + HO = 0.8200*TOLP + 0.1800*CSL
+ 0.1800*HO2 # 1.81E-12 @ -354.;
<ROCARO51> XYM + HO = 0.8300*XYMP + 0.1700*CSL
+ 0.1700*HO2 # 2.33E-11;
<ROCARO61> XYE + HO = 0.8200*XYEP + 0.1800*CSL
+ 0.1800*HO2 #7.16E-12;
!Isoprene AMORE mechanism
<RAM01> ISO + O3 = 0.07*MACR + 0.189*MVK
+ 0.58*HCHO
+ 0.25*HO
+ 0.25*HO2
+ 0.58*HCHO
+ 0.08*MO2
+ 0.1*ACO3
+ 0.09*H2O2
+ 0.1*MACP
+ 0.461*MACR
+ 0.14*CO
+ 0.28*ORA1
+ 0.15*OLT # 1.58E-14 @ 2000;
<RAM02> ISO + NO3 = INO2 + 0.3*HCHO
+ 0.3*NO2
+ 0.3*NALD # 2.95E-12 @ 450;
<RAM03> ISO + HO = ISOP + 0.02*MO2 # 2.69E-11 @ -390;
<RAM04> ISOP + HO2 = ISHP + 0.6*HO2
+ 0.15*HCHO # 4.5E-13 @ -1300;
<RAM05> ISOP + NO = 0.14*ISON + 0.7*HCHO
+ 0.44*MVK
+ 0.88*HO2
+ 0.78*NO2
+ 0.28*MACR
+ 0.021*GLY # 2.7E-12 @ -350;
<RAM06> ISHP + HO = ISOP # 4.6E-12 @ -200;
<RAM07> INO2 + HO2 = IPN + HO # 3.14E-14 @ -580;
<RAM08> INO2 + NO = 0.9*HCHO + 0.5*MGLY
+ 0.8*MVK
+ 0.5*NO2
+ 1*HO2
+ 0.2*NALD
+ 0.1*MO2 # 9.42E-16 @ -580;
<RAM9> IPN + HO2 = 0.8*NO2 + 1.0*HO2
+ 0.4*HCHO
+ 0.05*GLY
+ 0.1*MGLY
+ 0.4*MACR
+ 0.94*MVK
+ 0.2*NALD
+ 0.1*MO2 # 3.4E-11 @ -390;
<RAM10> ISON + HO = NALD + HO
+ 0.2*IEPOX # 2.4E-7 @ -580;
<RAM11> ISHP + HO = 0.15*HCHO + 0.05*MGLY
+ 0.15*MACR
+ 0.02*GLY
+ 0.2*MVK
+ 0.4*NO2
+ 0.05*IPC
+ 0.58*IEPOX
+ 0.8*HO # 2.97E-11 @ -390;
<RAM12> ISHP = 0.4*HCHO + 0.1*MGLY
+ 0.06*ACO3 # 1.0/<HCHO_RAD_RACM2>;
<RAM13> IPC + NO = 0.35*NO2 + 0.8*NO # 1.0E-10;
<RAM14> NALD + HO = CO + 0.12*NO2 # 5E-11;
<RAM15> NALD + NO3 = CO # 2.0E-14;
<RAM16> ISON = HNO3 + ROH # 2.3E-5;
<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 = 0.23*PINALP + 0.77*RCO3 # 5.20E-12 @ -600.;
<TRP05> LIMAL + HO = 0.70*LIMALP + 0.30*RCO3 # 1.00E-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 = 0.57*MACP + 0.43*MCP # 8.00E-12 @ -380.;
<R097> MVK + HO = MVKP # 2.60E-12 @ -610.;
<R098> UALD + HO = 0.313*ACO3 + 0.687*UALP # 5.77E-12 @ -533.;
<R099> GLY + HO = HO2 + 2.0*CO # 1.1E-11;
<R100> MGLY + HO = ACO3 + CO # 9.26E-13 @ -830.;
<R101> DCB1 + HO = 0.52*HO2 + 0.33*CO
+ 0.40*ALD
+ 0.78*KET
+ 0.10*GLY
+ 0.01*MGLY # 2.8E-11 @ -175.;
<R102> DCB2 + HO = 0.52*HO2 + 0.33*CO
+ 0.13*MEK
+ 0.10*GLY
+ 0.01*MGLY
+ 0.78*OP2 # 2.8E-11 @ -175.;
<R103> DCB3 + HO = 0.56*HO2 + 0.21*MACP
+ 0.11*CO
+ 0.27*GLY
+ 0.01*MGLY
+ 0.79*OP2 # 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 # 6.75E-12 @ -405.;
<R106> CSL + HO = 0.200*ASOATJ + 0.584*HO2
+ 0.160*ADDC
+ 0.056*CHO
+ 0.584*MCT # 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 # 2.6E-12 @ -200.;
<R112> ETEG + HO = HO2 + ALD # 1.47E-11;
<R113> OP1 + HO = 0.35*HO + 0.65*MO2
+ 0.35*HCHO # 2.9E-12 @ -190.;
<R114> OP2 + HO = 0.01*HO + 0.44*HC3P
+ 0.07*XO2
+ 0.08*ALD
+ 0.41*KET # 3.40E-12 @ -190.0;
<TRP06> OPB + HO = 0.01*HO + 0.44*HC10P
+ 0.07*XO2
+ 0.08*ALD
+ 0.41*KET # 3.40E-12 @ -190.0;
<R114a> OP3 + HO = 0.01*HO + 0.44*HC10P
+ 0.07*XO2
+ 0.08*ALD
+ 0.41*KET # 3.40E-12 @ -190.0;
<R116> MAHP + HO = MACP # 3.0E-11;
<R117> ORA1 + HO = HO2 # 4.5E-13;
<R118> ORA2 + HO = 0.64*MO2 + 0.36*ORAP # 4.0E-14 @ -850.;
<R119> PAA + HO = 0.35*HO + 0.65*ACO3
+ 0.35*XO2
+ 0.35*HCHO # 2.93E-12 @ -190.;
<R120> PAN + HO = XO2 + NO3
+ HCHO # 4.0E-14;
<R121> PPN + HO = XO2 + NO3
+ HCHO # 4.0E-14;
<R122> MPAN + HO = NO2 + HKET # 3.2E-11;
<R123> ONIT + HO = HC3P + NO2 # 5.31E-12 @ 260.;
<TRP07> TRPN + HO = HOM # 4.80E-12;
<R126> ETE + O3 = 0.08*HO + 0.15*HO2
+ 0.43*CO
+ HCHO
+ 0.37*ORA1 # 9.14E-15 @ 2580.;
<R127> OLT + O3 = 0.22*HO + 0.32*HO2
+ 0.08*MO2
+ 0.06*ETHP
+ 0.04*HC3P
+ 0.02*HC5P
+ 0.068*H2O2
+ 0.43*CO
+ 0.02*ETH
+ 0.015*HC3
+ 0.006*HC5
+ 0.032*BEN
+ 0.56*HCHO
+ 0.01*ACD
+ 0.44*ALD
+ 0.03*ACT
+ 0.02*BALD
+ 0.06*MEK
+ 0.01*HKET
+ 0.03*ORA1
+ 0.06*ORA2 # 4.33E-15 @ 1800.0;
<R128> OLI + O3 = 0.46*HO + 0.07*HO2
+ 0.32*MO2
+ 0.07*ETHP
+ 0.04*HC3P
+ 0.09*ACO3
+ 0.37*CO
+ 0.026*H2O2
+ 0.01*ETH
+ 0.01*HC3
+ 0.09*HCHO
+ 0.457*ACD
+ 0.73*ALD
+ 0.11*ACT
+ 0.017*KET
+ 0.044*HKET
+ 0.017*ORA2 # 4.40E-15 @ 845.0;
<R131> API + O3 = 0.90*HO + 0.90*APIP1
+ 0.05*APIP2
+ 0.05*PINAL
+ 0.05*H2O2
+ 0.14*CO # 5.0E-16 @ 530.;
<R132> LIM + O3 = 0.84*HO + 0.84*LIMP1
+ 0.11*LIMP2
+ 0.05*LIMAL
+ 0.05*H2O2
+ 0.14*CO # 2.95E-15 @ 783.;
<TRP08> LIMAL + O3 = 0.04*HO + 0.67*HC10P
+ 0.79*HCHO
+ 0.33*KET
+ 0.04*HO2
+ 0.20*CO # 8.30E-18;
<TRP09> TRPN + O3 = HOM # 1.67E-16;
<R132> MACR + O3 = 0.19*HO + 0.14*HO2
+ 0.10*ACO3
+ 0.22*CO
+ 0.50*MGLY
+ 0.45*ORA1 # 1.36E-15 @ 2112.;
<R134> MVK + O3 = 0.16*HO + 0.11*HO2
+ 0.28*ACO3
+ 0.01*XO2
+ 0.56*CO
+ 0.10*HCHO
+ 0.54*MGLY
+ 0.07*ORA1
+ 0.07*ORA2
+ 0.10*ALD # 8.50E-16 @ 1520.;
<R135> UALD + O3 = 0.100*HO + 0.072*HO2
+ 0.008*MO2
+ 0.002*ACO3
+ 0.10*XO2
+ 0.243*CO
+ 0.080*HCHO
+ 0.420*ACD
+ 0.028*KET
+ 0.491*GLY
+ 0.003*MGLY
+ 0.044*ORA1 # 1.66E-18;
<R136> DCB1 + O3 = 0.05*HO + HO2
+ 0.60*RCO3
+ 0.60*XO2
+ 1.50*CO
+ 0.05*HCHO
+ 0.05*GLY
+ 0.08*MGLY
+ 0.65*OP2 # 2.0E-16;
<R137> DCB2 + O3 = 0.05*HO + HO2
+ 0.60*RCO3
+ 0.60*XO2
+ 1.50*CO
+ 0.05*HCHO
+ 0.05*GLY
+ 0.08*MGLY
+ 0.70*DCB1
+ 0.65*OP2 # 2.0E-16;
<R138> DCB3 + O3 = 0.05*HO + HO2
+ 1.50*CO
+ 0.48*GLY
+ 0.70*DCB1
+ 0.25*ORA1
+ 0.25*ORA2
+ 0.11*PAA # 9.0E-17;
<R140> MCTO + O3 = MCTP # 2.86E-13;
<R141> ETE + NO3 = 0.80*OLNN + 0.20*OLND # 4.392E-13^[email protected];
<R142> OLT + NO3 = 0.43*OLNN + 0.57*OLND # 1.79E-13 @ 450.;
<R143> OLI + NO3 = 0.11*OLNN + 0.89*OLND # 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 = HOM # 3.15E-14 @ 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 = 0.68*HCHO + 0.32*MACP
+ 0.68*XO2
+ 0.68*MGLY
+ 0.32*HNO3
+ 0.68*NO2 # 3.40E-15;
<R152> UALD + NO3 = HO2 + XO2
+ 0.668*CO
+ 0.332*HCHO
+ 0.332*ALD
+ ONIT # 5.02E-13 @ 1076.;
<R153> GLY + NO3 = HO2 + 2.0*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
+ 0.85*ADDC
+ 0.424*ADCN
+ 0.424*HNO3 # 3.78E-12;
<R156> CSL + NO3 = 0.200*ASOATJ + 0.320*CHO
+ 0.08*ADDC
+ 0.4*ADCN
+ 0.4*HNO3 # 1.06E-12;
<R158> MCT + NO3 = MCTO + HNO3 # 2.01E-10;
<R159> MPAN + NO3 = MACP + NO2 # 2.2E-14 @ 500.;
<TRP11> PINALP = HOM # 1.0;
<TRP12> LIMALP = HOM # 1.0;
<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 # 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 # 4.0E-12;
<R177> ETEP + NO = HO2 + NO2
+ 1.6*HCHO
+ 0.2*ALD # 9.0E-12;
<R178> OLTP + NO = 0.78*HO2 + 0.97*NO2
+ 0.78*HCHO
+ 0.012*ACD
+ 0.44*ALD
+ 0.06*ACT
+ 0.13*MEK
+ 0.03*ONIT # 4.00E-12;
<R179> OLIP + NO = 0.83*HO2 + 0.95*NO2
+ 0.81*ACD
+ 0.68*ALD
+ 0.20*ACT
+ 0.09*KET
+ 0.02*HKET
+ 0.05*ONIT # 4.00E-12;
! MCM-based aromatics with Lu et al. updates
<ROCARO33> BENP + NO = 0.0000*ONIT
+ 0.0012*VROCP4OXY2
+ 0.0008*VROCN1OXY6
+ 0.9980*NO2
+ 0.9980*HO2
+ 0.0000*BALD
+ 0.9980*GLY
+ 0.4990*FURANONE
+ 0.2495*DCB2
+ 0.2495*DCB3 # 2.7E-12 @ -360.;
<ROCARO43> TOLP + NO = 0.0002*ONIT
+ 0.0013*VROCP4OXY2
+ 0.0006*VROCN1OXY6
+ 0.9980*NO2
+ 0.9980*HO2
+ 0.0852*BALD
+ 0.5477*GLY
+ 0.3651*MGLY
+ 0.3651*FURANONE
+ 0.5477*DCB1 # 2.7E-12 @ -360.;
<ROCARO53> XYMP + NO = 0.0001*ONIT
+ 0.0013*VROCP3OXY2
+ 0.0006*VROCP0OXY4
+ 0.9980*NO2
+ 0.9980*HO2
+ 0.0481*BALD
+ 0.7029*GLY
+ 0.2470*MGLY
+ 0.3515*FURANONE
+ 0.5984*DCB2 # 2.7E-12 @ -360.;
<ROCARO63> XYEP + NO = 0.0002*ONIT
+ 0.0013*VROCP3OXY2
+ 0.0006*VROCP0OXY4
+ 0.9980*NO2
+ 0.9980*HO2
+ 0.0852*BALD
+ 0.5477*GLY
+ 0.3651*MGLY
+ 0.4564*FURANONE
+ 0.4564*DCB2 # 2.7E-12 @ -360.;
<R189> APIP1 + NO = 0.82*HO2 + 0.82*NO2
+ 0.82*PINAL
+ 0.18*TRPN # 4.0E-12;
<TRP13> APIP2 + NO = 0.82*HO + 0.82*NO2
+ HOM # 4.0E-12;
<TRP14> APINP1 + NO = 2*NO2 + PINAL # 4.0E-12;
<TRP15> APINP2 + NO = 0.82*NO2 + 0.82*HO
+ HOM # 4.0E-12;
<R190> LIMP1 + NO = 0.77*HO2 + 0.77*NO2
+ 0.49*LIMAL
+ 0.28*HCHO
+ 0.28*UALD
+ 0.23*TRPN # 4.0E-12;
<TRP16> LIMP2 + NO = 0.77*HO + 0.77*NO2
+ HOM # 4.0E-12;
<TRP17> LIMNP1 + NO = 2*NO2 + LIMAL # 4.0E-12;
<TRP18> LIMNP2 + NO = 0.77*NO2 + 0.77*HO
+ HOM # 4.0E-12;
<TRP19> PINALP + NO = 0.95*HO2 + 0.95*NO2
+ 0.05*TRPN
+ 0.95*HCHO
+ 0.95*KET # 2.7E-12 @ -360.;
<TRP20> LIMALP + NO = 0.94*HO2 + 0.94*NO2
+ 0.06*TRPN
+ 0.94*HCHO
+ 0.94*KET # 2.7E-12 @ -360.;
<R191> ACO3 + NO = MO2 + NO2 # 8.1E-12 @ -270.;
<R192> RCO3 + NO = ETHP + NO2 # 8.1E-12 @ -270.;
<R193> ACTP + NO = ACO3 + NO2
+ HCHO # 2.9E-12 @ -300.;
<R194> MEKP + NO = 0.67*HO2 + NO2
+ 0.33*HCHO
+ 0.67*DCB1 # 4.0E-12;
<R195> KETP + NO = 0.77*HO2 + 0.23*ACO3
+ 0.16*XO2
+ NO2
+ 0.46*ALD
+ 0.54*MGLY # 4.0E-12;
<R196> MACP + NO = 0.65*MO2 + 0.35*ACO3
+ NO2
+ 0.65*CO
+ 0.65*HCHO # 2.54E-12 @ -360.;
<R197> MCP + NO = NO2 + 0.50*HO2
+ 0.50*HCHO
+ HKET # 2.54E-12 @ -360.;
<R198> MVKP + NO = 0.3*HO2 + 0.7*ACO3
+ 0.7*XO2
+ NO2
+ 0.3*HCHO
+ 0.7*ALD
+ 0.3*MGLY # 2.54E-12 @ -360.;
<R199> UALP + NO = HO2 + NO2
+ 0.61*CO
+ 0.03*HCHO
+ 0.27*ALD
+ 0.18*GLY
+ 0.7*KET
+ 0.21*MGLY # 2.54E-12 @ -360.;
<R200> BALP + NO = BAL1 + NO2 # 4.0E-12;
<R201> BAL1 + NO = BAL2 + NO2 # 4.0E-12;
<R202> ADDC + NO = HO2 + NO2
+ 0.32*HKET
+ 0.68*GLY
+ 0.68*OP2 # 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 # 4.0E-12;
<R206> OLND + NO = 2.00*NO2 + 0.287*HCHO
+ 1.24*ALD
+ 0.464*KET # 4.0E-12;
<R207> ADCN + NO = 2.0*NO2 + GLY
+ OP2 # 2.7E-12 @ -360.;
<R208> XO2 + NO = NO2 # 4.0E-12;
<R209> BAL2 + NO2 = ONIT # 2.0E-11;
<R210> CHO + NO2 = ONIT # 2.0E-11;
<R211> MCTO + NO2 = ONIT # 2.08E-12;
<R212> MO2 + HO2 = OP1 # 4.1E-13 @ -750.;
<R213> ETHP + HO2 = OP2 # 7.5E-13 @ -700.;
<R214> HC3P + HO2 = OP2 # 1.66E-13 @ -1300.;
<R215> HC5P + HO2 = OP2 # 1.66E-13 @ -1300.;
<R217> ETEP + HO2 = OP2 # 1.90E-13 @ -1300.;
<R218> OLTP + HO2 = OP2 # 1.66E-13 @ -1300.;
<R219> OLIP + HO2 = OP2 # 1.66E-13 @ -1300.;
! MCM-based aromatics
<ROCARO32> BENP + HO2 = 0.0000*OP2
+ 0.6021*OP2
+ 0.3979*VROCN1OXY6 # 2.91E-13 @ -1300.;
<ROCARO42> TOLP + HO2 = 0.0854*OP2
+ 0.6341*OP2
+ 0.2805*VROCN1OXY6 # 2.91E-13 @ -1300.;
<ROCARO52> XYMP + HO2 = 0.0482*OP2
+ 0.6747*OP3
+ 0.2771*VROCP0OXY4 # 2.91E-13 @ -1300.;
<ROCARO62> XYEP + HO2 = 0.0854*OP2
+ 0.6341*OP3
+ 0.2805*VROCP0OXY4 # 2.91E-13 @ -1300.;
<R229> APIP1 + HO2 = OPB # 1.5E-11;
<TRP21> APIP2 + HO2 = HOM # 1.5E-11;
<TRP22> APINP1 + HO2 = TRPN # 1.5E-11;
<TRP23> APINP2 + HO2 = HOM # 1.5E-11;
<R230> LIMP1 + HO2 = OPB # 1.5E-11;
<TRP24> LIMP2 + HO2 = HOM # 1.5E-11;
<TRP25> LIMNP1 + HO2 = TRPN # 1.5E-11;
<TRP26> LIMNP2 + HO2 = HOM # 1.5E-11;
<TRP27> PINALP + HO2 = OPB # 2.91E-13 @ -1300.;
<TRP28> LIMALP + HO2 = OPB # 2.91E-13 @ -1300.;
<R231> ACO3 + HO2 = 0.44*HO + 0.44*MO2
+ 0.15*ORA2
+ 0.41*PAA # 4.3E-13 @ -1040.;
<R232> RCO3 + HO2 = 0.44*HO + 0.44*ETHP
+ 0.15*ORA2
+ 0.41*PAA # 4.3E-13 @ -1040.;
<R233> ACTP + HO2 = 0.150*HO + 0.150*ACO3
+ 0.150*HCHO
+ 0.850*OP2 # 1.15E-13 @ -1300.;
<R234> MEKP + HO2 = OP2 # 1.15E-13 @ -1300.;
<R235> KETP + HO2 = OP2 # 1.15E-13 @ -1300.;
<R236> MACP + HO2 = MAHP # 1.82E-13 @ -1300.;
<R237> MCP + HO2 = MAHP # 1.82E-13 @ -1300.;
<R238> MVKP + HO2 = OP2 # 2.91E-13 @ -1300.;
<R239> UALP + HO2 = OP2 # 2.91E-13 @ -1300.;
<R240> ADDC + HO2 = OP2 # 3.75E-13 @ -980.;
<R241> CHO + HO2 = CSL # 1.00E-11;
<R242> MCTP + HO2 = OP2 # 3.75E-13 @ -980.;
<R243> ORAP + HO2 = OP2 # 1.15E-13 @ -1300.;
<R244> OLNN + HO2 = ONIT # 1.66E-13 @ -1300.;
<R245> OLND + HO2 = ONIT # 1.66E-13 @ -1300.;
<R246> ADCN + HO2 = OP2 # 3.75E-13 @ -980.;
<R247> XO2 + HO2 = OP2 # 1.66E-13 @ -1300.;
<R248> MO2 + MO2 = 0.74*HO2 + 1.37*HCHO
+ 0.63*MOH # 9.5E-14 @ -390.;
<R249> ETHP + MO2 = HO2 + 0.75*HCHO
+ 0.75*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 # 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 # 1.0E-13 @ -467.;
<R253> ETEP + MO2 = HO2 + 1.95*HCHO
+ 0.15*ALD
+ 0.250*MOH
+ 0.250*ETEG # 1.71E-13 @ -708.;
<R254> OLTP + MO2 = HO2 + 1.50*HCHO
+ 0.705*ALD
+ 0.045*KET
+ 0.250*MOH
+ 0.250*ROH # 1.46E-13 @ -708.;
<R255> OLIP + MO2 = HO2 + 0.750*HCHO
+ 1.28*ALD
+ 0.218*KET
+ 0.250*MOH
+ 0.250*ROH # 9.18E-14 @ -708.;
! MCM-based aromatics
<ROCARO35> BENP + MO2 = 0.6800*HCHO
+ 1.3700*HO2
+ 0.3200*MOH
+ 0.0000*BALD
+ 1.0000*GLY
+ 0.5000*FURANONE
+ 0.2500*DCB2
+ 0.2500*DCB3 # 3.56E-14 @ -708.;
<ROCARO45> TOLP + MO2 = 0.6800*HCHO
+ 1.2846*HO2
+ 0.3200*MOH
+ 0.0854*BALD
+ 0.5488*GLY
+ 0.3659*MGLY
+ 0.3659*FURANONE
+ 0.5488*DCB1 # 3.56E-14 @ -708.;
<ROCARO55> XYMP + MO2 = 0.6800*HCHO
+ 1.3218*HO2
+ 0.3200*MOH
+ 0.0482*BALD
+ 0.7043*GLY
+ 0.2475*MGLY
+ 0.3522*FURANONE
+ 0.5996*DCB2 # 3.56E-14 @ -708.;
<ROCARO65> XYEP + MO2 = 0.6800*HCHO
+ 1.2846*HO2
+ 0.3200*MOH
+ 0.0854*BALD
+ 0.5488*GLY
+ 0.3659*MGLY
+ 0.4573*FURANONE
+ 0.4573*DCB2 # 3.56E-14 @ -708.;
<R264> ISOP + MO2 = HO2 + 1.31*HCHO
+ 0.159*MACR
+ 0.250*MVK
+ 0.250*MOH
+ 0.250*ROH
+ 0.023*ALD
+ 0.018*GLY
+ 0.016*HKET # 3.4E-14 @ -221.;
<R265> APIP1 + MO2 = HO2 + 0.680*HCHO
+ 0.600*PINAL
+ 0.070*KET
+ 0.320*MOH
+ 0.250*ROH # 3.56E-14 @ -708.;
<TRP29> APIP2 + MO2 = HO2 + 0.750*HCHO
+ 0.250*MOH
+ HOM # 1.00E-10;
<TRP30> APINP1 + MO2 = 0.37*HO2 + 0.860*NO2
+ 0.680*HCHO
+ 0.860*PINAL
+ 0.320*MOH
+ 0.140*TRPN # 3.56E-14 @ -708.;
<TRP31> APINP2 + MO2 = 0.75*HO2 + 0.750*NO2
+ 0.250*MOH
+ 0.750*HCHO
+ HOM # 1.00E-10;
<R266> LIMP1 + MO2 = HO2 + HCHO
+ 0.420*LIMAL
+ 0.300*KET
+ 0.320*MOH
+ 0.270*ROH # 3.56E-14 @ -708.;
<TRP32> LIMP2 + MO2 = HO2 + 0.750*HCHO
+ 0.250*MOH
+ HOM # 1.00E-10;
<TRP33> LIMNP1 + MO2 = 0.37*HO2 + 0.680*HCHO
+ 0.700*LIMAL
+ 0.700*NO2
+ 0.320*MOH
+ 0.300*TRPN # 3.56E-14 @ -708.;
<TRP34> LIMNP2 + MO2 = 0.75*HO2 + 0.750*HCHO
+ 0.750*NO2
+ 0.250*MOH
+ HOM # 1.00E-10;
<R267> ACO3 + MO2 = 0.9*HO2 + 0.9*MO2
+ HCHO
+ 0.1*ORA2 # 2.0E-11 @ -500.;
<R268> RCO3 + MO2 = 0.9*HO2 + 0.9*MO2
+ HCHO
+ 0.1*ORA2 # 2.0E-11 @ -500.;
<R269> ACTP + MO2 = 0.50*HO2 + 0.50*ACO3
+ 1.50*HCHO
+ 0.25*MOH
+ 0.25*ROH
+ 0.125*ORA2 # 7.5E-13 @ -500.;
<R270> MEKP + MO2 = 0.834*HO2 + HCHO
+ 0.334*DCB1
+ 0.25*MOH
+ 0.25*ROH # 6.91E-13 @ -508.;
<R271> KETP + MO2 = HO2 + 0.75*HCHO
+ 0.50*DCB1
+ 0.25*MOH
+ 0.25*ROH # 6.91E-13 @ -508.;
<R272> MACP + MO2 = 0.50*HO2 + 0.269*ACO3
+ 0.500*CO
+ 1.66*HCHO
+ 0.067*ORA2
+ 0.250*MO2
+ 0.250*MOH
+ 0.250*ROH # 3.4E-14 @ -221.;
<R273> MCP + MO2 = NO2 + HO2
+ 1.50*HCHO
+ 0.50*HKET
+ 0.250*MOH
+ 0.250*ROH # 3.4E-14 @ -221.;
<R274> MVKP + MO2 = HO2 + 1.16*ACO3
+ 1.16*XO2
+ 1.5*HCHO
+ 1.75*ALD
+ 0.500*MGLY
+ 0.250*MOH
+ 0.250*ROH
+ 0.292*ORA2 # 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 # 3.4E-14 @ -221.;
<R276> BALP + MO2 = HO2 + BAL1
+ HCHO # 3.56E-14 @ -708.;
<R277> BAL1 + MO2 = HO2 + BAL2
+ HCHO # 3.56E-14 @ -708.;
<R278> ADDC + MO2 = 2.0*HO2 + HCHO
+ 0.32*HKET
+ 0.68*GLY
+ 0.68*OP2 # 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 = 2.00*HO2 + HCHO
+ ONIT # 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 # 9.68E-14 @ -708.;
<R283> ADCN + MO2 = HO2 + 0.7*NO2
+ HCHO
+ 0.7*GLY
+ 0.7*OP2
+ 0.3*ONIT # 3.56E-14;
<R284> XO2 + MO2 = HO2 + HCHO # 5.99E-15 @ -1510.;
<R285> ETHP + ACO3 = 0.500*HO2 + 0.5*MO2
+ ACD
+ 0.5*ORA2 # 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 # 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 # 5.59E-13 @ -522.;
<R289> ETEP + ACO3 = 0.5*HO2 + 0.5*MO2
+ 1.6*HCHO
+ 0.2*ALD
+ 0.5*ORA2 # 9.48E-13 @ -765.;
<R290> OLTP + ACO3 = 0.500*HO2 + 0.500*MO2
+ HCHO
+ 0.940*ALD
+ 0.060*KET
+ 0.500*ORA2 # 8.11E-13 @ -765.;
<R291> OLIP + ACO3 = 0.500*HO2 + 0.500*MO2
+ 1.71*ALD
+ 0.290*KET
+ 0.500*ORA2 # 5.09E-13 @ -765.;
! MCM-based aromatics
<ROCARO36> BENP + ACO3 = 0.7000*MO2
+ 1.0000*HO2
+ 0.3000*ORA2