!! 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: wendyg@cert.ucr.edu !! 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: William.R.Stockwell@gmail.com !! 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 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 !------------------------------------------------------------------------------ ! 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] = O3 = O3P # 1.0/; O3 = O1D # 1.0/; H2O2 = 2.000*HO # 1.0/; NO2 = O3P + NO # 1.0/; NO3 = NO # 1.0/; NO3 = O3P + NO2 # 1.0/; HONO = HO + NO # 1.0/; HNO3 = HO + NO2 # 1.0/; HNO4 = 0.200*HO + 0.800*HO2 + 0.800*NO2 + 0.200*NO3 # 1.0/; HCHO = CO # 1.0/; HCHO = 2.000*HO2 + CO # 1.0/; ACD = HO2 + MO2 + CO # 1.0/; ALD = HO2 + ETHP + CO # 1.0/; ACT = MO2 + ACO3 # 1.0/; ACT = 2.000*MO2 + CO # 1.0/; 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/; PINAL = HO2 + HC10P + CO - 1.0000*DELTA_C # 1.0/; LIMAL = HO2 + HC10P + CO - 1.0000*DELTA_C # 1.0/; MEK = 0.100*MO2 + ETHP + 0.900*ACO3 + 0.100*CO # 1.0/; KET = 1.500*ETHP + 0.500*ACO3 + 0.500*CO + 0.5000*DELTA_C # 1.0/; HKET = HO2 + ACO3 + HCHO # 1.0/; MACR = 0.340*HO + 0.660*HO2 + 0.670*ACO3 + 0.330*MACP + 0.340*XO2 + 0.670*CO + 0.670*HCHO # 1.0/; MVK = 0.300*MO2 + 0.300*MACP + 0.700*CO + 0.700*UALD - 1.7000*DELTA_C # 1.0/; GLY = 2.000*CO # 1.0/; GLY = HCHO + CO # 1.0/; GLY = 2.000*HO2 + 2.000*CO # 1.0/; MGLY = HO2 + ACO3 + CO # 1.0/; DCB1 = 1.500*HO2 + 0.250*ACO3 + 0.200*XO2 + CO + 0.500*GLY + 0.500*MGLY + 1.0000*DELTA_C # 1.0/; DCB2 = 1.500*HO2 + 0.250*ACO3 + 0.200*XO2 + CO + 0.500*GLY + 0.500*MGLY + 2.0000*DELTA_C # 1.0/; BALD = CHO + HO2 + CO - 2.0000*DELTA_C # 1.0/; OP1 = HO + HO2 + HCHO # 1.0/; OP2 = HO + HO2 + ALD - 1.0000*DELTA_C # 1.0/; OPB = HO + HO2 + ALD + 7.0000*DELTA_C # 1.0/; OP3 = HO + HO2 + ALD + 5.0000*DELTA_C # 1.0/; PAA = HO + MO2 + 1.0000*DELTA_C # 1.0/; ONIT = HO2 + NO2 + 0.200*ALD + 0.800*KET - 0.6000*DELTA_C # 1.0/; PAN = ACO3 + NO2 # 1.0/; PAN = MO2 + NO3 + 1.0000*DELTA_C # 1.0/; TRPN = NO2 + 0.670*KET + 0.330*UALD + 5.0000*DELTA_C # 1.0/; HONIT = HKET + NO2 + 7.0000*DELTA_C # 1.0/; O3 + HO = HO2 # 1.7E-12 @ 940.; O3 + HO2 = HO # 1.0E-14 @ 490.; O3 + NO = NO2 # 3.0E-12 @ 1500.; O3 + NO2 = NO3 # 1.2E-13 @ 2450.; O3P + O2 + M = O3 # 6.10E-34 ^ -2.4; O3P + O3 = # 8.0E-12 @ 2060.; O1D + O2 = O3P # 3.3E-11 @ -55.; O1D + N2 = O3P # 2.15E-11 @ -110.; O1D + H2O = 2.000*HO # 1.63E-10 @ -60.0; HO + H2 = HO2 # 2.80E-12 @ 1800.; HO + HO2 = # 4.8E-11 @ -250.; HO2 + HO2 = H2O2 %3 # 3.0E-13 @ -460. & 2.1E-33 @ -920.; HO2 + HO2 + H2O = H2O2 %3 # 4.20E-34 @ -2660. & 2.94E-54 @ -3120.; H2O2 + HO = HO2 # 1.8E-12 @ 0.; NO + O3P = NO2 # 9.1E-32 ^ -1.5 & 3.0E-11 ^ 0.0 ; NO + HO = HONO # 7.1E-31 ^ -2.6 & 3.6E-11 ^ -0.1; NO + HO2 = NO2 + HO # 3.44E-12 @ -260.; NO + HO2 = HNO3 %3 # 6.095e-14^-1.0@-270.0 & 6.857e-34^1.0@-270.0& -5.968e-14@-270.0; NO + NO + O2 = 2.000*NO2 # 4.25E-39 @ -663.5; HONO + HO = NO2 # 3.0E-12 @ -250.; NO2 + O3P = NO # 5.3E-12 @ -200.; NO2 + O3P = NO3 # 3.4E-31 ^ -1.6 & 2.3E-11 ^ -0.2; NO2 + HO = HNO3 # 1.80E-30 ^ -3.0 & 2.80E-11 ^ 0.0; HNO3 + HO = NO3 %2 # 2.4E-14 @ -460 & 2.7E-17 @ -2199 & 6.5E-34 @ -1335; NO3 + HO = HO2 + NO2 # 2.0E-11; NO3 + HO2 = 0.700*HO + 0.700*NO2 + 0.300*HNO3 # 3.50E-12; NO3 + NO = 2.000*NO2 # 1.7E-11 @ -125.; NO3 + NO2 = NO + NO2 # 4.35E-14 @ 1335.; NO3 + NO3 = 2.000*NO2 # 8.5E-13 @ 2450.; NO3 + NO2 = N2O5 # 2.40E-30 ^ -3.0 & 1.6E-12 ^ +0.1; N2O5 = NO2 + NO3 # 5.80E-27 @ -10840.0 *E; N2O5 + H2O = 2.000*HNO3 # 1.0E-22; NO2 + HO2 = HNO4 # 1.9E-31 ^ -3.4 & 4.0E-12 ^ -0.3; HNO4 = HO2 + NO2 # 2.10E-27 @ -10900.0 *E; HNO4 + HO = NO2 # 4.50E-13 @ -610.; SO2 + HO = HO2 + SULF + SULRXN # 2.9E-31 ^ -4.1 & 1.7E-12 ^ +0.2; CO + HO = HO2 + 1.0000*DELTA_C %3 # 1.44E-13 @ 0.0 & 2.74E-33 @ 0.0; HO + CH4 = MO2 - 1.0000*DELTA_C # 2.45E-12 @ 1775.; ETH + HO = ETHP # 7.66E-12 @ 1020.; HC3 + HO = HC3P + 0.0000281*ASOATJ - 0.0001*DELTA_C # 7.68E-12 @ 370.; HC5 + HO = HC5P + 0.00134*ASOATJ - 0.0093*DELTA_C # 1.01E-11 @ 245.; ETE + HO = ETEP # 1.0E-28 ^ -4.5 & 8.8E-12 ^ -0.85; OLT + HO = OLTP # 5.72E-12 @ -500.; OLI + HO = OLIP # 1.33E-11 @ -500.; 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 BEN + HO = 0.470*BENP + 0.530*PHEN + 0.530*HO2 # 2.33E-12 @ 193.; TOL + HO = 0.820*TOLP + 0.180*CSL + 0.180*HO2 - 0.3600*DELTA_C # 1.81E-12 @ -354.; XYL + HO = 0.830*XYLP + 0.170*CSL + 0.170*HO2 - 0.1700*DELTA_C # 2.33E-11; EBZ + HO = 0.820*EBZP + 0.180*CSL + 0.180*HO2 - 0.1800*DELTA_C #7.16E-12; !Isoprene AMORE mechanism 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; 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; ISO + HO = ISOP + 0.250*HCHO + 0.030*MACR + 0.050*MGLY - 0.5200*DELTA_C # 2.69E-11 @ -390; ISOP + HO2 = ISHP + 0.070*HO2 + 0.500*HO # 4.5E-13 @ -1300; 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; ISHP + HO = ISOP # 4.6E-12 @ -200; 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; INO2 + HO2 = 0.450*HO + 0.950*INALD + 0.020*IPX + 0.0500*DELTA_N + 0.1500*DELTA_C # 3.14E-11 @ -580; 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; ISON + HO = HO + 0.350*INALD + 0.170*IEPOX + 0.650*NO2 + 2.4000*DELTA_C # 2.4E-11 @ -390; HO + INALD = CO + NO2 + 0.300*HO2 + HCHO + 3.0000*DELTA_C # 1.50E-11; ISON = HNO3 + ROH + 2.0000*DELTA_C # 4E-5; IPX + HO = 0.570*MACR + 0.430*MVK + 1.0000*DELTA_C # 3E-12; ! end AMORE isoprene chemistry API + HO = 0.975*APIP1 + 0.025*APIP2 # 1.21E-11 @ -440.; LIM + HO = 0.945*LIMP1 + 0.055*LIMP2 # 4.20E-11 @ -401.; PINAL + HO = 0.230*PINALP + 0.770*RCO3 + 5.3900*DELTA_C # 5.20E-12 @ -600.; LIMAL + HO = 0.830*LIMALP + 0.170*RCO3 + 1.1900*DELTA_C # 1.10E-10; HCHO + HO = HO2 + CO # 5.50E-12 @ -125.; ACD + HO = ACO3 # 4.70E-12 @ -345.; ALD + HO = RCO3 # 4.90E-12 @ -405.; ACT + HO = ACTP # 4.56E-14 ^ 3.65 @ 427; MEK + HO = MEKP # 1.5E-12 @ 90.; KET + HO = KETP # 2.8E-12 @ -10.; HKET + HO = HO2 + MGLY # 3.0E-12; MACR + HO = 0.570*MACP + 0.430*MCP # 8.00E-12 @ -380.; MVK + HO = MVKP # 2.60E-12 @ -610.; UALD + HO = 0.313*ACO3 + 0.687*UALP + 0.9390*DELTA_C # 5.77E-12 @ -533.; GLY + HO = HO2 + 2.000*CO # 1.1E-11; MGLY + HO = ACO3 + CO # 9.26E-13 @ -830.; 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.; 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.; 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; BALD + HO = BALP # 5.32E-12 @ -243.; 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.; 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; MCT + HO = MCTO # 2.05E-10 @ 0.0; MOH + HO = HO2 + HCHO # 2.85E-12 @ 345.; EOH + HO = HO2 + ACD # 3.0E-12 @ -20.; ROH + HO = HO2 + 0.719*ALD + 0.184*ACD + 0.4750*DELTA_C # 2.6E-12 @ -200.; ETEG + HO = HO2 + ALD - 1.0000*DELTA_C # 1.47E-11; OP1 + HO = 0.350*HO + 0.650*MO2 + 0.350*HCHO # 2.9E-12 @ -190.; 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; 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; 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; MAHP + HO = MACP # 3.0E-11; ORA1 + HO = HO2 + 1.0000*DELTA_C # 4.5E-13; ORA2 + HO = 0.640*MO2 + 0.360*ORAP + 0.6400*DELTA_C # 4.0E-14 @ -850.; PAA + HO = 0.350*HO + 0.650*ACO3 + 0.350*XO2 + 0.350*HCHO + 0.3500*DELTA_C # 2.93E-12 @ -190.; PAN + HO = XO2 + NO3 + HCHO + 1.0000*DELTA_C # 4.0E-14; PPN + HO = XO2 + NO3 + HCHO + 2.0000*DELTA_C # 4.0E-14; MPAN + HO = NO2 + HKET + 1.0000*DELTA_C # 3.2E-11; ONIT + HO = HC3P + NO2 + 1.0000*DELTA_C # 5.31E-12 @ 260.; 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; HONIT + HO = HKET + NO3 + 7.0000*DELTA_C %2 # 2.4E-14 @ -460 & 2.7E-17 @ -2199 & 6.5E-34 @ -1335; ETE + O3 = 0.080*HO + 0.150*HO2 + 0.430*CO + HCHO + 0.370*ORA1 + 0.2000*DELTA_C # 9.14E-15 @ 2580.; 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; 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; 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.; 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.; 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; 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; 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.; 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.; 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; 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; 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; 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; MCTO + O3 = MCTP # 2.86E-13; ETE + NO3 = 0.800*OLNN + 0.200*OLND - 1.0000*DELTA_C # 4.392E-13^2.0@2282.0; OLT + NO3 = 0.430*OLNN + 0.570*OLND # 1.79E-13 @ 450.; OLI + NO3 = 0.110*OLNN + 0.890*OLND + 2.0000*DELTA_C # 8.64E-13 @ -450.; API + NO3 = 0.975*APINP1 + 0.025*APINP2 # 1.19E-12 @ -490.; LIM + NO3 = 0.945*LIMNP1 + 0.055*LIMNP2 # 1.22E-11; 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.; HCHO + NO3 = HO2 + CO + HNO3 # 2.0E-12 @ 2440.; ACD + NO3 = ACO3 + HNO3 # 1.4E-12 @ 1900.; ALD + NO3 = RCO3 + HNO3 # 3.76E-12 @ 1900.; MACR + NO3 = 0.680*HCHO + 0.320*MACP + 0.680*XO2 + 0.680*MGLY + 0.320*HNO3 + 0.680*NO2 # 3.40E-15; UALD + NO3 = HO2 + XO2 + 0.668*CO + 0.332*HCHO + 0.332*ALD + ONIT - 0.9960*DELTA_C # 5.02E-13 @ 1076.; GLY + NO3 = HO2 + 2.000*CO + HNO3 # 2.90E-12 @ 1900.; MGLY + NO3 = ACO3 + CO + HNO3 # 3.76E-12 @ 1900.; 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; 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; MCT + NO3 = MCTO + HNO3 # 2.01E-10; MPAN + NO3 = MACP + NO2 + 1.0000*DELTA_N # 2.2E-14 @ 500.; PINALP = HOM # 0.029; LIMALP = HOM # 0.024; ACO3 + NO2 = PAN # 9.7E-29 ^ -5.6 & 9.3E-12 ^ -1.5; PAN = ACO3 + NO2 # 9.00E-29 @ -14000.0 *E; RCO3 + NO2 = PPN # 9.7E-29 ^ -5.6 & 9.3E-12 ^ -1.5; PPN = RCO3 + NO2 # 9.00E-29 @ -14000.0 *E; MACP + NO2 = MPAN # 2.80E-12 @ -181.; MPAN = MACP + NO2 # 1.60E+16 @ 13486.; MO2 + NO = HO2 + NO2 + HCHO # 2.80E-12 @ -300.; ETHP + NO = HO2 + NO2 + ACD # 2.6E-12 @ -365.; 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; 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; ETEP + NO = HO2 + NO2 + 1.600*HCHO + 0.200*ALD - 0.2000*DELTA_C # 9.0E-12; 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; 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 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.; 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.; 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.; 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.; 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.; APIP2 + NO = 0.820*HO + 0.820*NO2 + HOM + 0.1800*DELTA_N # 4.0E-12; 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.; APINP2 + NO = 0.820*NO2 + 0.820*HO + HOM + 1.1800*DELTA_N # 4.0E-12; 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.; LIMP2 + NO = 0.770*HO + 0.770*NO2 + HOM + 0.2300*DELTA_N # 4.0E-12; 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.; LIMNP2 + NO = 0.770*NO2 + 0.770*HO + HOM + 1.2300*DELTA_N # 4.0E-12; PINALP + NO = 0.360*TRPN + 0.640*HOM + 0.640*NO2 # 2.7E-12 @ -360.; 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.; ACO3 + NO = MO2 + NO2 + 1.0000*DELTA_C # 8.1E-12 @ -270.; RCO3 + NO = ETHP + NO2 + 1.0000*DELTA_C # 8.1E-12 @ -270.; ACTP + NO = ACO3 + NO2 + HCHO # 2.9E-12 @ -300.; MEKP + NO = 0.670*HO2 + NO2 + 0.330*HCHO + 0.670*DCB1 + 0.3200*DELTA_C # 4.0E-12; 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; MACP + NO = 0.650*MO2 + 0.350*ACO3 + NO2 + 0.650*CO + 0.650*HCHO + 1.3500*DELTA_C # 2.54E-12 @ -360.; MCP + NO = NO2 + 0.500*HO2 + 0.500*HCHO + HKET + 0.5000*DELTA_C # 2.54E-12 @ -360.; 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.; 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.; BALP + NO = BAL1 + NO2 # 4.0E-12; BAL1 + NO = BAL2 + NO2 + 1.0000*DELTA_C # 4.0E-12; ADDC + NO = HO2 + NO2 + 0.320*HKET + 0.680*GLY + 0.680*OP2 + 3.3200*DELTA_C # 2.7E-12 @ -360.; MCTP + NO = MCTO + NO2 # 2.7E-12 @ -360.; ORAP + NO = NO2 + GLY + HO2 # 4.0E-12; OLNN + NO = NO2 + HO2 + ONIT - 1.0000*DELTA_C # 4.0E-12; OLND + NO = 2.000*NO2 + 0.287*HCHO + 1.240*ALD + 0.464*KET - 3.3270*DELTA_C # 4.0E-12; ADCN + NO = 2.000*NO2 + GLY + OP2 + 2.0000*DELTA_C # 2.7E-12 @ -360.; XO2 + NO = NO2 # 4.0E-12; BAL2 + NO2 = ONIT + 2.0000*DELTA_C # 2.0E-11; CHO + NO2 = ONIT + 4.0000*DELTA_C # 2.0E-11; MCTO + NO2 = ONIT + 3.0000*DELTA_C # 2.08E-12; MO2 + HO2 = OP1 # 4.1E-13 @ -750.; ETHP + HO2 = OP2 # 7.5E-13 @ -700.; HC3P + HO2 = OP2 + 1.0000*DELTA_C # 1.66E-13 @ -1300.; HC5P + HO2 = OP2 + 3.0000*DELTA_C # 1.66E-13 @ -1300.; ETEP + HO2 = OP2 # 1.90E-13 @ -1300.; OLTP + HO2 = OP2 + 1.0000*DELTA_C # 1.66E-13 @ -1300.; OLIP + HO2 = OP2 + 3.0000*DELTA_C # 1.66E-13 @ -1300.; ! MCM-based aromatics BENP + HO2 = 0.6021*OP2 + 0.3979*VROCN1OXY6 + 1.6126*DELTA_C # 2.91E-13 @ -1300.; TOLP + HO2 = 0.7195*OP2 + 0.2805*VROCN1OXY6 + 3.3170*DELTA_C # 2.91E-13 @ -1300.; XYLP + HO2 = 0.0482*OP2 + 0.6747*OP3 + 0.2771*VROCP0OXY4 - 0.2650*DELTA_C # 2.91E-13 @ -1300.; EBZP + HO2 = 0.0854*OP2 + 0.6341*OP3 + 0.2805*VROCP0OXY4 - 0.0486*DELTA_C # 2.91E-13 @ -1300.; 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.; APIP2 + HO2 = HOM # 1.5E-11; 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.; APINP2 + HO2 = HOM + 1.0000*DELTA_N # 1.5E-11; 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.; LIMP2 + HO2 = HOM # 1.5E-11; LIMNP1 + HO2 = 0.770*TRPN + 0.500*HO + 0.230*LIMAL + 0.230*NO2 + 0.270*HO2 # 2.71E-13 @ -1300.; LIMNP2 + HO2 = HOM + 1.0000*DELTA_N # 1.5E-11; PINALP + HO2 = 0.750*OPB + 0.250*HO + 0.250*HOM # 2.71E-13 @ -1300.; 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.; ACO3 + HO2 = 0.440*HO + 0.440*MO2 + 0.150*ORA2 + 0.410*PAA + 0.4400*DELTA_C # 4.3E-13 @ -1040.; RCO3 + HO2 = 0.440*HO + 0.440*ETHP + 0.150*ORA2 + 0.410*PAA + 1.0000*DELTA_C # 4.3E-13 @ -1040.; ACTP + HO2 = 0.150*HO + 0.150*ACO3 + 0.150*HCHO + 0.850*OP2 + 0.8500*DELTA_C # 1.15E-13 @ -1300.; MEKP + HO2 = OP2 + 2.0000*DELTA_C # 1.15E-13 @ -1300.; KETP + HO2 = OP2 + 3.0000*DELTA_C # 1.15E-13 @ -1300.; MACP + HO2 = MAHP # 1.82E-13 @ -1300.; MCP + HO2 = MAHP # 1.82E-13 @ -1300.; MVKP + HO2 = OP2 + 2.0000*DELTA_C # 2.91E-13 @ -1300.; UALP + HO2 = OP2 + 3.0000*DELTA_C # 2.91E-13 @ -1300.; ADDC + HO2 = OP2 + 5.0000*DELTA_C # 3.75E-13 @ -980.; CHO + HO2 = CSL - 1.0000*DELTA_C # 1.00E-11; MCTP + HO2 = OP2 + 5.0000*DELTA_C # 3.75E-13 @ -980.; ORAP + HO2 = OP2 # 1.15E-13 @ -1300.; OLNN + HO2 = ONIT - 1.0000*DELTA_C # 1.66E-13 @ -1300.; OLND + HO2 = ONIT - 1.0000*DELTA_C # 1.66E-13 @ -1300.; ADCN + HO2 = OP2 + 1.0000*DELTA_N + 4.0000*DELTA_C # 3.75E-13 @ -980.; XO2 + HO2 = OP2 - 2.0000*DELTA_C # 1.66E-13 @ -1300.; MO2 + MO2 = 0.740*HO2 + 1.370*HCHO + 0.630*MOH # 9.5E-14 @ -390.; ETHP + MO2 = HO2 + 0.750*HCHO + 0.750*ACD + 0.250*MOH + 0.250*EOH # 1.18E-13 @ -158.; 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.; 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.; ETEP + MO2 = HO2 + 1.950*HCHO + 0.150*ALD + 0.250*MOH + 0.250*ETEG - 0.1500*DELTA_C # 1.71E-13 @ -708.; 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.; 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 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.; 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.; 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.; 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.; 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.; 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; APIP2 + MO2 = HO2 + 0.750*HCHO + 0.250*MOH + HOM # 1.00E-10; 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; APINP2 + MO2 = 0.750*HO2 + 0.750*NO2 + 0.250*MOH + 0.750*HCHO + HOM + 0.2500*DELTA_N # 1.00E-10; LIMP1 + MO2 = 0.250*MOH + LIMAL + 1.030*HCHO + HO2 - 0.2800*DELTA_C # 2.00E-12; LIMP2 + MO2 = HO2 + 0.750*HCHO + 0.250*MOH + HOM # 1.00E-10; LIMNP1 + MO2 = 0.690*TRPN + 0.910*HCHO + 0.090*MOH + 1.010*HO2 + 0.310*LIMAL + 0.310*NO2 # 2.0E-12; LIMNP2 + MO2 = 0.750*HO2 + 0.750*HCHO + 0.750*NO2 + 0.250*MOH + HOM + 0.2500*DELTA_N # 1.00E-10; ACO3 + MO2 = 0.900*HO2 + 0.900*MO2 + HCHO + 0.100*ORA2 + 0.9000*DELTA_C # 2.0E-11 @ -500.; RCO3 + MO2 = 0.900*HO2 + 0.900*MO2 + HCHO + 0.100*ORA2 + 1.9000*DELTA_C # 2.0E-11 @ -500.; 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.; MEKP + MO2 = 0.834*HO2 + HCHO + 0.334*DCB1 + 0.250*MOH + 0.250*ROH + 1.3300*DELTA_C # 6.91E-13 @ -508.; KETP + MO2 = HO2 + 0.750*HCHO + 0.500*DCB1 + 0.250*MOH + 0.250*ROH + 1.7500*DELTA_C # 6.91E-13 @ -508.; 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.; 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.; 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; 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.; BALP + MO2 = HO2 + BAL1 + HCHO # 3.56E-14 @ -708.; BAL1 + MO2 = HO2 + BAL2 + HCHO + 1.0000*DELTA_C # 3.56E-14 @ -708.; ADDC + MO2 = 2.000*HO2 + HCHO + 0.320*HKET + 0.680*GLY + 0.680*OP2 + 3.3200*DELTA_C # 3.56E-14 @ -708.; MCTP + MO2 = HO2 + MCTO + HCHO # 3.56E-14 @ -708.; ORAP + MO2 = HCHO + HO2 + GLY # 7.50E-13 @ -500.; OLNN + MO2 = 2.000*HO2 + HCHO + ONIT - 1.0000*DELTA_C # 1.6E-13 @ -708.; 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.; ADCN + MO2 = HO2 + 0.700*NO2 + HCHO + 0.700*GLY + 0.700*OP2 + 0.300*ONIT + 2.0000*DELTA_C # 3.56E-14; XO2 + MO2 = HO2 + HCHO # 5.99E-15 @ -1510.; ETHP + ACO3 = 0.500*HO2 + 0.500*MO2 + ACD + 0.500*ORA2 + 0.5000*DELTA_C # 1.03E-12 @ -211.; 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.; 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.; 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.; 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.; 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 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.; 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.; 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.; 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.; 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.; 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.; APIP2 + ACO3 = 0.500*HO + 0.500*MO2 + 0.500*ORA2 + HOM + 0.5000*DELTA_C # 1.0E-10; 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.; APINP2 + ACO3 = 0.500*NO2 + 0.500*MO2 + 0.500*ORA2 + HOM + 0.5000*DELTA_N + 0.5000*DELTA_C # 1.0E-10; LIMP1 + ACO3 = LIMAL + 0.560*HCHO + HO2 + MO2 + 0.4400*DELTA_C # 2.0E-12 @ -500.; LIMP2 + ACO3 = 0.500*HO + 0.500*MO2 + 0.500*ORA2 + HOM + 0.5000*DELTA_C # 1.0E-10; LIMNP1 + ACO3 = MO2 + 0.460*NO2 + 0.460*LIMAL + 0.540*TRPN + 0.540*HO2 + 1.0000*DELTA_C # 2.0E-12 @ -500.; LIMNP2 + ACO3 = 0.500*MO2 + 0.500*NO2 + 0.500*ORA2 + HOM + 0.5000*DELTA_N + 0.5000*DELTA_C # 1.0E-10; ACO3 + ACO3 = 2.000*MO2 + 2.0000*DELTA_C # 2.5E-12 @ -500.; RCO3 + ACO3 = MO2 + ETHP + 2.0000*DELTA_C # 2.5E-12 @ -500.; ACTP + ACO3 = 0.500*MO2 + 0.500*ACO3 + HCHO + 0.750*ORA2 + 1.0000*DELTA_C # 7.51E-13 @ -565.; 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.; KETP + ACO3 = 0.500*HO2 + 0.500*MO2 + 0.500*DCB1 + 0.500*ORA2 + 3.0000*DELTA_C # 7.51E-13 @ -565.; MACP + ACO3 = 0.635*ORA2 + 0.500*MO2 + 0.269*ACO3 + 0.500*CO + HCHO + 2.1920*DELTA_C # 8.4E-14 @ -221.; 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.; 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.; 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.; BALP + ACO3 = MO2 + BAL1 + 1.0000*DELTA_C # 7.4E-13 @ -765.; BAL1 + ACO3 = MO2 + BAL2 + 2.0000*DELTA_C # 7.4E-13 @ -765.; ADDC + ACO3 = 2.000*HO2 + MO2 + 0.320*HKET + 0.680*GLY + 0.680*OP2 + 4.3200*DELTA_C # 7.4E-13 @ -708.; MCTP + ACO3 = HO2 + MO2 + MCTO + 1.0000*DELTA_C # 7.4E-13 @ -708.; ORAP + ACO3 = MO2 + GLY + 1.0000*DELTA_C # 7.51E-13 @ -565.; OLNN + ACO3 = HO2 + MO2 + ONIT # 8.85E-13 @ -765.; 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.; ADCN + ACO3 = HO2 + MO2 + 0.700*NO2 + 0.700*GLY + 0.700*OP2 + 0.300*ONIT + 3.0000*DELTA_C # 7.4E-13 @ -708.; XO2 + ACO3 = MO2 + 1.0000*DELTA_C # 3.4E-14 @ -1560.; RCO3 + RCO3 = 2.000*ETHP + 2.0000*DELTA_C # 2.50E-12 @ -500.0; MO2 + NO3 = HO2 + HCHO + NO2 # 1.20E-12; ETHP + NO3 = HO2 + NO2 + ACD # 1.2E-12; 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; 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; ETEP + NO3 = HO2 + NO2 + 1.600*HCHO + 0.200*ALD - 0.2000*DELTA_C # 1.2E-12; 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; 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 BENP + NO3 = NO2 + HO2 + 0.000*BALD + GLY + 0.500*FURANONE + 0.250*DCB2 + 0.250*DCB3 - 0.5000*DELTA_C # 2.3E-12; 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; 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; 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; 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; 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; LIMP1 + NO3 = HO2 + NO2 + LIMAL + 0.560*HCHO - 0.5600*DELTA_C # 2.3E-12; 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; LIMNP1 + NO3 = 1.460*NO2 + 0.460*LIMAL + 0.540*TRPN + 0.540*HO2 # 2.3E-12; ACO3 + NO3 = MO2 + NO2 + 1.0000*DELTA_C # 4.0E-12; RCO3 + NO3 = ETHP + NO2 + 1.0000*DELTA_C # 4.0E-12; ACTP + NO3 = ACO3 + NO2 + HCHO # 1.2E-12; MEKP + NO3 = 0.670*HO2 + NO2 + 0.330*HCHO + 0.670*DCB1 + 0.3200*DELTA_C # 1.2E-12; KETP + NO3 = HO2 + NO2 + DCB1 # 1.2E-12; MACP + NO3 = HCHO + 0.538*ACO3 + CO + NO2 + 0.9240*DELTA_C # 1.2E-12; MCP + NO3 = NO2 + HO2 + HCHO + HKET # 1.2E-12; 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; 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; BALP + NO3 = BAL1 + NO2 # 2.5E-12; BAL1 + NO3 = BAL2 + NO2 + 1.0000*DELTA_C # 2.5E-12; ADDC + NO3 = HO2 + NO2 + 0.320*HKET + 0.680*GLY + 0.680*OP2 + 3.3200*DELTA_C # 1.2E-12; MCTP + NO3 = NO2 + MCTO # 1.2E-12; ORAP + NO3 = NO2 + GLY + HO2 # 1.2E-12; OLNN + NO3 = HO2 + NO2 + ONIT - 1.0000*DELTA_C # 1.2E-12; OLND + NO3 = 2.000*NO2 + 0.287*HCHO + 1.240*ALD + 0.464*KET - 3.3270*DELTA_C # 1.2E-12; ADCN + NO3 = 2.000*NO2 + GLY + OP2 + 2.0000*DELTA_C # 1.2E-12; OLNN + OLNN = HO2 + 2.000*ONIT - 2.0000*DELTA_C # 7.0E-14 @ -1000.; 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.; OLND + OLND = NO2 + 0.504*HCHO + 1.210*ALD + 0.285*KET + ONIT - 3.5590*DELTA_C # 2.96E-14 @ -1000.; XO2 + NO3 = NO2 # 1.2E-12; XO2 + RCO3 = ETHP + 1.0000*DELTA_C # 2.5E-12 @ -500.; XO2 + XO2 = # 7.13E-17 @ -2950.; 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; 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; 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; 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; 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; 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; 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; 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; 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; 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; 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; 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 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 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 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 ACRO + HO = 0.570*MACP + 0.430*MCP - 1.0000*DELTA_C # 8.E-12@-380; ACRO + O3 = 0.840*CO + 0.560*HO2 + 0.280*HO + 0.720*HCHO + 0.620*GLY + 0.2000*DELTA_C # 2.9E-19; 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 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/; ! BDE13 from SAPRC18/mechgen with MCM rate constant for T10 BDE13 + HO = 0.667*BDE13P + 0.333*UALD + 0.333*HO2 - 0.3330*DELTA_C # 1.48E-11@-448.; 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; BDE13P + NO3 = HO2 + NO2 + 0.925*ACRO + 0.925*HCHO + 0.075*FURAN - 0.0750*DELTA_C #2.3E-12; BDE13P + HO2 = OP2 + 2.0000*DELTA_C # 1.61E-11; 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; 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; 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.; 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 FURAN + HO = 0.490*DCB1 + 0.490*HO2 + 0.510*FURANO2 # 5.01E-11; 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.; 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.; 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; FURAN + O3 = 0.020*HO + ALD + 2.0000*DELTA_C # 3.43E-17; 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 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 SESQ + NO3 = SESQNRO2 # 1.9E-11; SESQNRO2 + HO2 = VROCP0OXY4 + 1.0000*DELTA_N + 5.0000*DELTA_C # 2.84E-13 @ -1300.0; SESQNRO2 + NO = VROCP3OXY2 + 2.000*NO2 + 4.0000*DELTA_C # 2.70E-12 @ -360.0; SESQNRO2 + NO3 = VROCP3OXY2 + 2.000*NO2 + 4.0000*DELTA_C # 2.3E-12; SESQ + O3 = 0.982*VROCP3OXY2 + 0.018*VROCN2OXY2 + 3.8920*DELTA_C # 1.2E-14; SESQ + HO = SESQRO2 # 1.97E-10; SESQRO2 + HO2 = VROCP0OXY2 + 1.0000*DELTA_C # 2.84E-13 @ -1300.0; SESQRO2 + NO3 = VROCP3OXY2 + 1.0000*DELTA_N + 4.0000*DELTA_C # 2.3E-12; 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 GLY = AGLYJ - 4.0000*DELTA_C # 1.0~; MGLY = AGLYJ - 3.0000*DELTA_C # 1.0~; ! heteorogeneous reactions from hetchem and poaaging routines version 5.0.2 N2O5 = 2.000*HNO3 # 1.0~; NO2 = 0.500*HONO + 0.500*HNO3 # 1.0~; ! hetorogeneous uptake of HO2 HO2 = # 1.0~; ! heterogeneous uptake of NO3 NO3 = HNO3 # 1.0~; ! Simplified ozone loss from oceanic halogens excluding chlorine O3 = %H # 6.7006E-11@-10.7435 & 3.4153E-08@0.6713 & 2.0E-6; IEPOX = IEPOXP + 5.0000*DELTA_C # 1.0~; IEPOXP = AISO3NOSJ - 5.0000*DELTA_C # 1.0~; IEPOXP + ASO4J = AISO3OSJ - 5.0000*DELTA_C # 1.0~; ! AMORE Heterogeneous reactions IPX = AISO4J # 2.0~; INALD = AISO5J + HNO3 # 0.5~; ! IEPOX = AISO3J # 1.0~; ! ROCALK chemistry based on GECKO (Lannuque et al. 2018 ACP) ! with autoxidation from Praske et al. 2018 PNAS ! HO not regenerated due to actual radical chemistry VROCP6ALK + HO = VROCP6ALKP # 1.53e-11; VROCP5ALK + HO = VROCP5ALKP # 1.68e-11; VROCP4ALK + HO = VROCP4ALKP # 2.24e-11; VROCP3ALK + HO = VROCP3ALKP # 2.67e-11; VROCP2ALK + HO = VROCP2ALKP # 3.09e-11; VROCP1ALK + HO = VROCP1ALKP # 3.38e-11; HC10 + HO = HC10P # 1.10e-11; ! RO+NO updated to MCM values to include T dep VROCP6ALKP + NO = 0.720*VROCP6ALKP2 + 0.280*VROCP4OXY2 + 0.720*NO2 + 0.2800*DELTA_N + 1.1200*DELTA_C # 2.7e-12 @ -360.; VROCP5ALKP + NO = 0.720*VROCP5ALKP2 + 0.280*VROCP3OXY2 + 0.720*NO2 + 0.2800*DELTA_N + 0.8400*DELTA_C # 2.7e-12 @ -360.; VROCP4ALKP + NO = 0.720*VROCP4ALKP2 + 0.280*VROCP2OXY2 + 0.720*NO2 + 0.2800*DELTA_N + 1.6800*DELTA_C # 2.7e-12 @ -360.; VROCP3ALKP + NO = 0.720*VROCP3ALKP2 + 0.280*VROCP1OXY1 + 0.720*NO2 + 0.2800*DELTA_N + 1.1200*DELTA_C # 2.7e-12 @ -360.; VROCP2ALKP + NO = 0.720*VROCP2ALKP2 + 0.280*VROCP0OXY2 + 0.720*NO2 + 0.2800*DELTA_N + 2.8000*DELTA_C # 2.7e-12 @ -360.; VROCP1ALKP + NO = 0.720*VROCP1ALKP2 + 0.280*VROCN1OXY1 + 0.720*NO2 + 0.2800*DELTA_N + 1.9600*DELTA_C # 2.7e-12 @ -360.; HC10P + NO = 0.740*HC10P2 + 0.260*ONIT + 0.740*NO2 + 1.5600*DELTA_C # 2.7E-12 @ -360.; VROCP6ALKP + NO3 = VROCP6ALKP2 + NO2 # 2.30e-12; VROCP5ALKP + NO3 = VROCP5ALKP2 + NO2 # 2.30e-12; VROCP4ALKP + NO3 = VROCP4ALKP2 + NO2 # 2.30e-12; VROCP3ALKP + NO3 = VROCP3ALKP2 + NO2 # 2.30e-12; VROCP2ALKP + NO3 = VROCP2ALKP2 + NO2 # 2.30e-12; VROCP1ALKP + NO3 = VROCP1ALKP2 + NO2 # 2.30e-12; HC10P + NO3 = HC10P2 + NO2 # 2.30e-12; VROCP6ALKP + HO2 = VROCP3OXY2 + 2.0000*DELTA_C # 2.17e-11; VROCP5ALKP + HO2 = VROCP2OXY2 + 2.0000*DELTA_C # 2.20e-11; VROCP4ALKP + HO2 = VROCP1OXY1 + 1.0000*DELTA_C # 2.25e-11; VROCP3ALKP + HO2 = VROCP0OXY2 + 7.0000*DELTA_C # 2.26e-11; VROCP2ALKP + HO2 = VROCN1OXY1 + 4.0000*DELTA_C # 2.27e-11; VROCP1ALKP + HO2 = VROCN2OXY2 + 10.0000*DELTA_C # 2.27e-11; HC10P + HO2 = OP2 + 8.0000*DELTA_C # 2.66e-13 @ -1300.; VROCP6ALKP2 = HO2 + VROCP3OXY2 + 2.0000*DELTA_C # 1.88e-1; VROCP5ALKP2 = HO2 + VROCP2OXY2 + 2.0000*DELTA_C # 1.88e-1; VROCP4ALKP2 = HO2 + VROCP1OXY1 + 1.0000*DELTA_C # 1.88e-1; VROCP3ALKP2 = HO2 + VROCP0OXY2 + 7.0000*DELTA_C # 1.88e-1; VROCP2ALKP2 = HO2 + VROCN1OXY1 + 4.0000*DELTA_C # 1.88e-1; VROCP1ALKP2 = HO2 + VROCN2OXY2 + 10.0000*DELTA_C # 1.88e-1; HC10P2 = HO2 + VROCP4OXY2 + 1.0000*DELTA_C # 1.88e-1; ! RO2+NO,NO3 products updated to assume alkoxy radical proceeds ! entirely through ketone channel (same as MCM) VROCP6ALKP2 + NO = 0.140*VROCP2OXY2 + 0.860*NO2 + 0.860*VROCP3OXY2 + 0.860*HO2 + 0.1400*DELTA_N + 1.8600*DELTA_C # 2.7E-12 @ -360.; VROCP5ALKP2 + NO = 0.140*VROCP1OXY3 + 0.860*NO2 + 0.860*VROCP2OXY2 + 0.860*HO2 + 0.1400*DELTA_N + 2.1400*DELTA_C # 2.7E-12 @ -360.; VROCP4ALKP2 + NO = 0.140*VROCP0OXY2 + 0.860*NO2 + 0.860*VROCP1OXY1 + 0.860*HO2 + 0.1400*DELTA_N + 1.4200*DELTA_C # 2.7E-12 @ -360.; VROCP3ALKP2 + NO = 0.140*VROCN1OXY1 + 0.860*NO2 + 0.860*VROCP0OXY2 + 0.860*HO2 + 0.1400*DELTA_N + 6.1600*DELTA_C # 2.7E-12 @ -360.; VROCP2ALKP2 + NO = 0.140*VROCN2OXY2 + 0.860*NO2 + 0.860*VROCN1OXY1 + 0.860*HO2 + 0.1400*DELTA_N + 4.4200*DELTA_C # 2.7E-12 @ -360.; VROCP1ALKP2 + NO = VROCN2OXY2 + 0.860*NO2 + 0.860*HO2 + 0.1400*DELTA_N + 10.0000*DELTA_C # 2.7E-12 @ -360.; HC10P2 + NO = 0.120*ONIT + 0.880*NO2 + 0.880*KET + 0.880*HO2 + 5.1200*DELTA_C # 2.7E-12 @ -360.; VROCP6ALKP2 + NO3 = NO2 + VROCP3OXY2 + HO2 + 2.0000*DELTA_C # 2.30e-12; VROCP5ALKP2 + NO3 = NO2 + VROCP2OXY2 + HO2 + 2.0000*DELTA_C # 2.30e-12; VROCP4ALKP2 + NO3 = NO2 + VROCP1OXY1 + HO2 + 1.0000*DELTA_C # 2.30e-12; VROCP3ALKP2 + NO3 = NO2 + VROCP0OXY2 + HO2 + 7.0000*DELTA_C # 2.30e-12; VROCP2ALKP2 + NO3 = NO2 + VROCN1OXY1 + HO2 + 4.0000*DELTA_C # 2.30e-12; VROCP1ALKP2 + NO3 = NO2 + VROCN2OXY2 + HO2 + 10.0000*DELTA_C # 2.30e-12; HC10P2 + NO3 = NO2 + KET + HO2 + 5.0000*DELTA_C # 2.30e-12; VROCP6ALKP2 + HO2 = VROCP1OXY3 + 2.0000*DELTA_C # 2.17e-11; VROCP5ALKP2 + HO2 = VROCP0OXY2 # 2.20e-11; VROCP4ALKP2 + HO2 = VROCN1OXY1 - 2.0000*DELTA_C # 2.25e-11; VROCP3ALKP2 + HO2 = VROCN2OXY2 + 4.0000*DELTA_C # 2.26e-11; VROCP2ALKP2 + HO2 = VROCN2OXY2 + 7.0000*DELTA_C # 2.27e-11; VROCP1ALKP2 + HO2 = VROCN2OXY2 + 10.0000*DELTA_C # 2.27e-11; HC10P2 + HO2 = VROCP2OXY2 - 2.0000*DELTA_C # 2.66e-13 @ -1300.; ! IVOC aromatic oxidation following MCM with autoxidation ! added to bicyclic RO2 channel. Epoxide channel eliminated ! and nitrate yield reduced following Xu et al. JPCA 2020. ! RO2+RO2 rates from RACM2 aromatic RO2s ! ROCP6ARO VROCP6ARO + HO = 0.840*VROCP6AROP + 0.160*HO2 + 0.160*VROCP4OXY2 + 0.6400*DELTA_C # 1.81E-11; VROCP6AROP + HO2 = 0.0595*VROCP4OXY2 + 0.9048*VROCP1OXY3 + 0.0357*VROCN2OXY4 + 2.1190*DELTA_C # 2.91E-13 @ -1300.; VROCP6AROP + NO = 0.0001*VROCP4OXY2 + 0.0018*VROCP2OXY2 + 0.0001*VROCN1OXY3 + 0.998*NO2 + 0.998*HO2 + 0.0594*BALD + 0.4693*GLY + 0.4693*MGLY + 0.4693*FURANONE + 0.4693*DCB2 + 0.0020*DELTA_N + 5.5210*DELTA_C # 2.7E-12 @ -360.; VROCP6AROP + NO3 = NO2 + 0.9405*HO2 + 0.0595*BALD + 0.4702*GLY + 0.4702*MGLY + 0.4702*FURANONE + 0.4702*DCB2 + 5.5305*DELTA_C # 2.3E-12; VROCP6AROP + MO2 = 0.680*HCHO + 1.3105*HO2 + 0.320*MOH + 0.0595*BALD + 0.4702*GLY + 0.4702*MGLY + 0.4702*FURANONE + 0.4702*DCB2 + 5.5305*DELTA_C # 3.56E-14 @ -708.; VROCP6AROP + ACO3 = 0.700*MO2 + 0.9405*HO2 + 0.300*ORA2 + 0.0595*BALD + 0.4702*GLY + 0.4702*MGLY + 0.4702*FURANONE + 0.4702*DCB2 + 6.2305*DELTA_C # 7.4E-13 @ -765.; ! ROCP5ARO VROCP5ARO + HO = 0.840*VROCP5AROP + 0.160*HO2 + 0.160*VROCP3OXY2 + 0.4800*DELTA_C # 1.81E-11; VROCP5AROP + HO2 = 0.0595*VROCP3OXY2 + 0.9048*VROCP0OXY2 + 0.0357*VROCN2OXY4 + 0.2856*DELTA_C # 2.91E-13 @ -1300.; VROCP5AROP + NO = 0.0001*VROCP3OXY2 + 0.0018*VROCP1OXY3 + 0.0001*VROCN2OXY4 + 0.998*NO2 + 0.998*HO2 + 0.0594*VROCP4OXY2 + 0.4693*GLY + 0.4693*MGLY + 0.4693*FURANONE + 0.4693*DCB2 + 0.0020*DELTA_N + 6.4039*DELTA_C # 2.7E-12 @ -360.; VROCP5AROP + NO3 = NO2 + 0.9405*HO2 + 0.0595*VROCP4OXY2 + 0.4702*GLY + 0.4702*MGLY + 0.4702*FURANONE + 0.4702*DCB2 + 6.4115*DELTA_C # 2.3E-12; VROCP5AROP + MO2 = 0.680*HCHO + 1.3105*HO2 + 0.320*MOH + 0.0595*VROCP4OXY2 + 0.4702*GLY + 0.4702*MGLY + 0.4702*FURANONE + 0.4702*DCB2 + 6.4115*DELTA_C # 3.56E-14 @ -708.; VROCP5AROP + ACO3 = 0.700*MO2 + 0.9405*HO2 + 0.300*ORA2 + 0.0595*VROCP4OXY2 + 0.4702*GLY + 0.4702*MGLY + 0.4702*FURANONE + 0.4702*DCB2 + 7.1115*DELTA_C # 7.4E-13 @ -765.; ! NAPH NAPH + HO = 0.840*NAPHP + 0.160*HO2 + 0.160*VROCP3OXY2 - 0.1600*DELTA_C # 2.31E-11; NAPHP + HO2 = 0.0595*VROCP3OXY2 + 0.9048*VROCP1OXY3 + 0.0357*VROCN2OXY8 - 0.8572*DELTA_C # 2.91E-13 @ -1300.; NAPHP + NO = 0.0595*VROCP4OXY2 + 0.0018*VROCP2OXY2 + 0.0001*VROCN2OXY8 + 0.998*NO2 + 0.998*HO2 + 0.4693*GLY + 0.4693*MGLY + 0.4693*FURANONE + 0.4693*DCB2 + 0.0020*DELTA_N + 2.4027*DELTA_C # 2.7E-12 @ -360.; NAPHP + NO3 = NO2 + 0.9405*HO2 + 0.0595*VROCP4OXY2 + 0.4702*GLY + 0.4702*MGLY + 0.4702*FURANONE + 0.4702*DCB2 + 2.4115*DELTA_C # 2.3E-12; NAPHP + MO2 = 0.680*HCHO + 1.3105*HO2 + 0.320*MOH + 0.0595*VROCP4OXY2 + 0.4702*GLY + 0.4702*MGLY + 0.4702*FURANONE + 0.4702*DCB2 + 2.4115*DELTA_C # 3.56E-14 @ -708.; NAPHP + ACO3 = 0.700*MO2 + 0.9405*HO2 + 0.300*ORA2 + 0.0595*VROCP4OXY2 + 0.4702*GLY + 0.4702*MGLY + 0.4702*FURANONE + 0.4702*DCB2 + 3.1115*DELTA_C # 7.4E-13 @ -765.; ! Multigenerational oxidation of LVOCs and SVOCs ! Aging of ROCOXY with explicit low MW species VROCN2OXY8 + HO = HO + 0.0854*VROCN2OXY8 + 0.2581*DCB1 + 0.2581*MEK + 0.2581*ACD + 0.2581*ALD + 0.2581*MO2 + 0.2581*ETHP + 0.2581*HC3P + 0.2581*MEKP + 0.2078*DELTA_C # 5.90e-11; VROCN2OXY4 + HO = HO + 0.464*VROCN2OXY8 + 0.1977*VROCN2OXY4 + 0.0121*VROCN1OXY6 + 0.0152*VROCN1OXY3 + 0.0624*VROCP0OXY4 + 0.0388*VROCP1OXY3 + 0.0491*VROCP2OXY2 + 0.0398*VROCP3OXY2 + 0.0183*VROCP4OXY2 + 0.0308*OP3 + 0.004*OP2 + 0.0794*DCB1 + 0.0794*MEK + 0.0794*KET + 0.0794*ACD + 0.0794*ALD + 0.0794*MO2 + 0.0794*ETHP + 0.0794*HC3P + 0.0794*MEKP + 0.0794*HC5P + 0.0794*KETP - 0.2954*DELTA_C # 6.07e-11; VROCN2OXY2 + HO = HO + 0.1041*VROCN2OXY8 + 0.5638*VROCN2OXY4 + 0.2141*VROCN2OXY2 + 0.0153*VROCN1OXY6 + 0.0298*VROCN1OXY3 + 0.0096*VROCN1OXY1 + 0.0189*VROCP0OXY4 + 0.0456*VROCP0OXY2 + 0.0314*VROCP1OXY3 + 0.0199*VROCP1OXY1 + 0.0459*VROCP2OXY2 + 0.0452*VROCP3OXY2 + 0.0455*VROCP4OXY2 + 0.0325*VROCP5OXY1 + 0.0369*VROCP6OXY1 + 0.0026*OP3 + 0.039*DCB1 + 0.039*HKET + 0.039*MEK + 0.039*ACD + 0.039*ALD + 0.039*MO2 + 0.039*ETHP + 0.039*HC3P + 0.039*MEKP + 0.0925*HC5P + 0.5632*DELTA_C # 5.54e-11; VROCN1OXY6 + HO = HO + 0.2036*VROCN2OXY8 + 0.0071*VROCN2OXY4 + 0.184*DCB1 + 0.184*MEK + 0.184*KET + 0.184*ACD + 0.184*ALD + 0.184*MO2 + 0.184*ETHP + 0.184*HC3P + 0.184*MEKP + 0.184*HC5P + 0.2406*DELTA_C # 5.63e-11; VROCN1OXY3 + HO = HO + 0.2792*VROCN2OXY8 + 0.4025*VROCN2OXY4 + 0.0088*VROCN2OXY2 + 0.0319*VROCN1OXY6 + 0.0076*VROCN1OXY3 + 0.0194*VROCP0OXY4 + 0.0104*VROCP0OXY2 + 0.051*VROCP1OXY3 + 0.0075*VROCP1OXY1 + 0.0512*VROCP2OXY2 + 0.0462*VROCP3OXY2 + 0.0512*VROCP4OXY2 + 0.0138*VROCP5OXY1 + 0.0135*OP2 + 0.0646*DCB1 + 0.0646*HKET + 0.0646*MEK + 0.0646*ACD + 0.0646*ALD + 0.0646*MO2 + 0.0646*ETHP + 0.0646*HC3P + 0.0646*MEKP + 0.1753*HC5P - 0.2888*DELTA_C # 5.46e-11; VROCN1OXY1 + HO = HO + 0.0074*VROCN2OXY8 + 0.119*VROCN2OXY4 + 0.7261*VROCN2OXY2 + 0.0122*VROCN1OXY6 + 0.0305*VROCN1OXY3 + 0.007*VROCN1OXY1 + 0.0291*VROCP0OXY4 + 0.0454*VROCP0OXY2 + 0.0234*VROCP1OXY3 + 0.0352*VROCP1OXY1 + 0.0624*VROCP2OXY2 + 0.0518*VROCP3OXY2 + 0.0509*VROCP4OXY2 + 0.0347*VROCP5OXY1 + 0.0748*VROCP6OXY1 + 0.0163*OP3 + 0.0062*OP2 + 0.0244*DCB1 + 0.0244*HKET + 0.0244*MEK + 0.0244*ACD + 0.0244*ALD + 0.0244*MO2 + 0.0244*ETHP + 0.0244*HC3P + 0.0244*MEKP + 0.0537*HC5P + 0.0078*DELTA_C # 4.50e-11; VROCP0OXY4 + HO = HO + 0.2822*VROCN2OXY8 + 0.1165*VROCN2OXY4 + 0.032*VROCN1OXY6 + 0.0183*VROCN1OXY3 + 0.0011*VROCP0OXY4 + 0.066*VROCP2OXY2 + 0.0535*VROCP3OXY2 + 0.0246*VROCP4OXY2 + 0.0054*OP2 + 0.1068*DCB1 + 0.1068*MEK + 0.1068*KET + 0.1068*ACD + 0.1068*ALD + 0.1068*MO2 + 0.1068*ETHP + 0.1068*HC3P + 0.1068*MEKP + 0.1068*HC5P + 0.1068*KETP + 0.4786*DELTA_C # 5.17e-11; VROCP0OXY2 + HO = HO + 0.0659*VROCN2OXY8 + 0.4579*VROCN2OXY4 + 0.1156*VROCN2OXY2 + 0.0325*VROCN1OXY6 + 0.0657*VROCN1OXY3 + 0.0046*VROCN1OXY1 + 0.0307*VROCP0OXY4 + 0.0024*VROCP0OXY2 + 0.0395*VROCP1OXY3 + 0.0215*VROCP1OXY1 + 0.0539*VROCP2OXY2 + 0.0516*VROCP3OXY2 + 0.0519*VROCP4OXY2 + 0.0371*VROCP5OXY1 + 0.0421*VROCP6OXY1 + 0.0105*OP3 + 0.0445*DCB1 + 0.0445*HKET + 0.0445*MEK + 0.0445*ACD + 0.0445*ALD + 0.0445*MO2 + 0.0445*ETHP + 0.0445*HC3P + 0.0445*MEKP + 0.1055*HC5P - 0.0259*DELTA_C # 4.73e-11; VROCP1OXY3 + HO = HO + 0.1778*VROCN2OXY8 + 0.1924*VROCN2OXY4 + 0.0004*VROCN2OXY2 + 0.074*VROCN1OXY6 + 0.0452*VROCN1OXY3 + 0.0631*VROCP0OXY4 + 0.0007*VROCP0OXY2 + 0.0006*VROCP1OXY3 + 0.0227*VROCP2OXY2 + 0.0585*VROCP3OXY2 + 0.0649*VROCP4OXY2 + 0.0174*VROCP5OXY1 + 0.0154*OP3 + 0.017*OP2 + 0.0818*DCB1 + 0.0818*HKET + 0.0818*MEK + 0.0818*ACD + 0.0818*ALD + 0.0818*MO2 + 0.0818*ETHP + 0.0818*HC3P + 0.0818*MEKP + 0.222*HC5P + 0.6832*DELTA_C # 4.60e-11; VROCP1OXY1 + HO = HO + 0.0023*VROCN2OXY8 + 0.134*VROCN2OXY4 + 0.3349*VROCN2OXY2 + 0.008*VROCN1OXY6 + 0.1193*VROCN1OXY3 + 0.0758*VROCN1OXY1 + 0.0292*VROCP0OXY4 + 0.0766*VROCP0OXY2 + 0.0277*VROCP1OXY3 + 0.0118*VROCP1OXY1 + 0.0651*VROCP2OXY2 + 0.0709*VROCP3OXY2 + 0.0668*VROCP4OXY2 + 0.0423*VROCP5OXY1 + 0.0911*VROCP6OXY1 + 0.0066*OP3 + 0.0025*OP2 + 0.0297*DCB1 + 0.0297*HKET + 0.0297*MEK + 0.0297*ACD + 0.0297*ALD + 0.0297*MO2 + 0.0297*ETHP + 0.0297*HC3P + 0.0297*MEKP + 0.0654*HC5P + 0.3011*DELTA_C # 3.80e-11; VROCP2OXY2 + HO = HO + 0.0445*VROCN2OXY8 + 0.1726*VROCN2OXY4 + 0.0104*VROCN2OXY2 + 0.0513*VROCN1OXY6 + 0.1118*VROCN1OXY3 + 0.0013*VROCN1OXY1 + 0.1337*VROCP0OXY4 + 0.0403*VROCP0OXY2 + 0.0511*VROCP1OXY3 + 0.0068*VROCP1OXY1 + 0.0236*VROCP2OXY2 + 0.0293*VROCP3OXY2 + 0.0733*VROCP4OXY2 + 0.0523*VROCP5OXY1 + 0.0595*VROCP6OXY1 + 0.0041*OP3 + 0.0023*OP2 + 0.0628*DCB1 + 0.0628*HKET + 0.0628*MEK + 0.0628*ACD + 0.0628*ALD + 0.0628*MO2 + 0.0628*ETHP + 0.0628*HC3P + 0.0628*MEKP + 0.1489*HC5P + 0.4027*DELTA_C # 3.93e-11; VROCP3OXY2 + HO = HO + 0.0317*VROCN2OXY8 + 0.0765*VROCN2OXY4 + 0.0009*VROCN2OXY2 + 0.0526*VROCN1OXY6 + 0.0489*VROCN1OXY3 + 0.155*VROCP0OXY4 + 0.0155*VROCP0OXY2 + 0.1051*VROCP1OXY3 + 0.0013*VROCP1OXY1 + 0.0535*VROCP2OXY2 + 0.0086*VROCP3OXY2 + 0.0426*VROCP4OXY2 + 0.0582*VROCP5OXY1 + 0.0661*VROCP6OXY1 + 0.0506*OP3 + 0.0114*OP2 + 0.0698*DCB1 + 0.0698*HKET + 0.0698*MEK + 0.0698*ACD + 0.0698*ALD + 0.0698*MO2 + 0.0698*ETHP + 0.0698*HC3P + 0.0698*MEKP + 0.1656*HC5P + 0.4732*DELTA_C # 3.52e-11; VROCP4OXY2 + HO = HO + 0.0117*VROCN2OXY8 + 0.0167*VROCN2OXY4 + 0.048*VROCN1OXY6 + 0.0246*VROCN1OXY3 + 0.0881*VROCP0OXY4 + 0.0916*VROCP1OXY3 + 0.0073*VROCP1OXY1 + 0.0972*VROCP2OXY2 + 0.0456*VROCP3OXY2 + 0.0024*VROCP4OXY2 + 0.0479*VROCP5OXY1 + 0.0745*VROCP6OXY1 + 0.0607*OP3 + 0.0155*OP2 + 0.0786*DCB1 + 0.0786*HKET + 0.0786*MEK + 0.0786*ACD + 0.0786*ALD + 0.0786*MO2 + 0.0786*ETHP + 0.0786*HC3P + 0.0786*MEKP + 0.173*HC5P - 0.3482*DELTA_C # 3.12e-11; VROCP5OXY1 + HO = HO + 0.0103*VROCN2OXY4 + 0.0006*VROCN2OXY2 + 0.009*VROCN1OXY6 + 0.0146*VROCN1OXY3 + 0.0702*VROCP0OXY4 + 0.0153*VROCP0OXY2 + 0.1038*VROCP1OXY3 + 0.0031*VROCP1OXY1 + 0.165*VROCP2OXY2 + 0.1566*VROCP3OXY2 + 0.0724*VROCP4OXY2 + 0.0062*VROCP5OXY1 + 0.1398*VROCP6OXY1 + 0.0216*OP3 + 0.0384*OP2 + 0.0526*DCB1 + 0.0526*HKET + 0.0526*MEK + 0.0526*ACD + 0.0526*ALD + 0.0526*MO2 + 0.0526*ETHP + 0.0526*HC3P + 0.0526*MEKP + 0.128*HC5P + 0.5282*DELTA_C # 2.40e-11; VROCP6OXY1 + HO = HO + 0.0061*VROCN1OXY6 + 0.0049*VROCN1OXY3 + 0.0224*VROCP0OXY4 + 0.0503*VROCP1OXY3 + 0.0022*VROCP1OXY1 + 0.0879*VROCP2OXY2 + 0.1384*VROCP3OXY2 + 0.1463*VROCP4OXY2 + 0.0432*VROCP5OXY1 + 0.0957*VROCP6OXY1 + 0.0316*OP3 + 0.0585*OP2 + 0.0571*DCB1 + 0.0571*HKET + 0.0571*MEK + 0.0571*ACD + 0.0571*ALD + 0.0571*MO2 + 0.0571*ETHP + 0.0571*HC3P + 0.0571*MEKP + 0.1544*HC5P + 0.1638*DELTA_C # 2.05e-11; OP3 + HO = HO + 0.1188*VROCN2OXY8 + 0.0008*VROCN2OXY4 + 0.039*VROCN1OXY6 + 0.0114*VROCP0OXY4 + 0.2266*DCB1 + 0.2266*MEK + 0.2266*ACD + 0.2266*ALD + 0.2266*MO2 + 0.2266*ETHP + 0.2266*HC3P + 0.2266*MEKP + 1.2952*DELTA_C # 4.69e-11; ! ECH4 (emitted methane) ECH4 + HO = MO2 # 2.45E-12 @ 1775.; ! monoterpene nitrate hydrolysis ATRPNJ = AHOMJ + HNO3 - 1.0000*DELTA_N - 1.0000*DELTA_C # 9.26E-05; AHONITJ = AHOMJ + HNO3 - 1.0000*DELTA_N - 1.0000*DELTA_C # 9.26E-05; ! MCM-based styrene chemistry STY + HO = STYP # 5.8E-11; STYP + HO2 = VROCP3OXY2 - 3.0000*DELTA_C # 2.91E-12 @ -1300; STYP + NO = NO2 + HO2 + HCHO + BALD # 2.70E-12 @ -360; STYP + NO3 = NO2 + HO2 + HCHO + BALD # 2.3E-12; STYP + MO2 = 1.370*HO2 + 1.680*HCHO + BALD + 0.320*MOH + 0.0000*DELTA_C # 2.5E-13; STYP + ACO3 = HO2 + HCHO + BALD + 0.700*MO2 + 0.300*ORA2 + 0.7000*DELTA_C # 2.5E-13; END MECH CONSTANTS ATM_AIR = 1.0E+06 ATM_H2 = 0.56 ATM_N2 = 0.7808E+06 ATM_O2 = 0.2095E+06 ATM_CH4 = 1.85 END CONSTANTS