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The Effects of Active Chlorines on Photooxidation of 2-Methyl-2-butene

Permanent Link: http://ufdc.ufl.edu/UFE0042640/00001

Material Information

Title: The Effects of Active Chlorines on Photooxidation of 2-Methyl-2-butene
Physical Description: 1 online resource (91 p.)
Language: english
Creator: Im, Yunseok
Publisher: University of Florida
Place of Publication: Gainesville, Fla.
Publication Date: 2010

Subjects

Subjects / Keywords: 2methyl2butene, active, chlorine, explicit, model, radical
Environmental Engineering Sciences -- Dissertations, Academic -- UF
Genre: Environmental Engineering Sciences thesis, M.E.
bibliography   ( marcgt )
theses   ( marcgt )
government publication (state, provincial, terriorial, dependent)   ( marcgt )
born-digital   ( sobekcm )
Electronic Thesis or Dissertation

Notes

Abstract: Active chlorines comprising hypochlorite (OCl-), hypochlorous acid (HOCl) and chlorine (Cl2) are the active constituents in bleach solution for a variety of industrial and consumer applications. However, the strong oxidative reactivity of active chlorine can cause adverse effects on both human health and the environment. In this study, the aerosolized Oxone? 2KHSO5 KHSO4 K2SO4 with saline solution has been utilized to produce active chlorines (HOCl and Cl2). To investigate the impact of active chlorines on volatile organic compound (VOC) oxidation, 2-Methyl-2-butene (MB) as a surrogate VOC was photoirradiated in the presence of active chlorines using a 2 m3 Teflon film indoor chamber. The resulting carbonyl products produced from photooxidation of MB were derivatized with O-(2,3,4,5,6-pentafluorobenzyl) hydroxyamine hydrochloride (PFBHA) and analyzed using gas chromatograph-ion trap mass spectroscopy (GC/ITMS). The photooxidation of MB in the presence of active chlorines was simulated with an explicit kinetic model using a chemical solver (Morpho) which included both a Master Chemical Mechanism (MCM) and Cl radical reactions. The reaction rate constants of a Cl radical with MB and its oxidized products were estimated using Structure-Reactivity Relationship method. Under the dark condition no effect of active chlorines on MB oxidation appears, whereas under the UV condition rapid MB oxidation was observed due to active chlorines. The model simulation agrees with chamber data showing rapid production of oxygenated products that are characterized using a GC/ITMS. Ozone formation was enhanced when MB was oxidized in the presence of active chlorines under high NOx concentration.
General Note: In the series University of Florida Digital Collections.
General Note: Includes vita.
Bibliography: Includes bibliographical references.
Source of Description: Description based on online resource; title from PDF title page.
Source of Description: This bibliographic record is available under the Creative Commons CC0 public domain dedication. The University of Florida Libraries, as creator of this bibliographic record, has waived all rights to it worldwide under copyright law, including all related and neighboring rights, to the extent allowed by law.
Statement of Responsibility: by Yunseok Im.
Thesis: Thesis (M.E.)--University of Florida, 2010.
Local: Adviser: Jang, Myoseon.

Record Information

Source Institution: UFRGP
Rights Management: Applicable rights reserved.
Classification: lcc - LD1780 2010
System ID: UFE0042640:00001

Permanent Link: http://ufdc.ufl.edu/UFE0042640/00001

Material Information

Title: The Effects of Active Chlorines on Photooxidation of 2-Methyl-2-butene
Physical Description: 1 online resource (91 p.)
Language: english
Creator: Im, Yunseok
Publisher: University of Florida
Place of Publication: Gainesville, Fla.
Publication Date: 2010

Subjects

Subjects / Keywords: 2methyl2butene, active, chlorine, explicit, model, radical
Environmental Engineering Sciences -- Dissertations, Academic -- UF
Genre: Environmental Engineering Sciences thesis, M.E.
bibliography   ( marcgt )
theses   ( marcgt )
government publication (state, provincial, terriorial, dependent)   ( marcgt )
born-digital   ( sobekcm )
Electronic Thesis or Dissertation

Notes

Abstract: Active chlorines comprising hypochlorite (OCl-), hypochlorous acid (HOCl) and chlorine (Cl2) are the active constituents in bleach solution for a variety of industrial and consumer applications. However, the strong oxidative reactivity of active chlorine can cause adverse effects on both human health and the environment. In this study, the aerosolized Oxone? 2KHSO5 KHSO4 K2SO4 with saline solution has been utilized to produce active chlorines (HOCl and Cl2). To investigate the impact of active chlorines on volatile organic compound (VOC) oxidation, 2-Methyl-2-butene (MB) as a surrogate VOC was photoirradiated in the presence of active chlorines using a 2 m3 Teflon film indoor chamber. The resulting carbonyl products produced from photooxidation of MB were derivatized with O-(2,3,4,5,6-pentafluorobenzyl) hydroxyamine hydrochloride (PFBHA) and analyzed using gas chromatograph-ion trap mass spectroscopy (GC/ITMS). The photooxidation of MB in the presence of active chlorines was simulated with an explicit kinetic model using a chemical solver (Morpho) which included both a Master Chemical Mechanism (MCM) and Cl radical reactions. The reaction rate constants of a Cl radical with MB and its oxidized products were estimated using Structure-Reactivity Relationship method. Under the dark condition no effect of active chlorines on MB oxidation appears, whereas under the UV condition rapid MB oxidation was observed due to active chlorines. The model simulation agrees with chamber data showing rapid production of oxygenated products that are characterized using a GC/ITMS. Ozone formation was enhanced when MB was oxidized in the presence of active chlorines under high NOx concentration.
General Note: In the series University of Florida Digital Collections.
General Note: Includes vita.
Bibliography: Includes bibliographical references.
Source of Description: Description based on online resource; title from PDF title page.
Source of Description: This bibliographic record is available under the Creative Commons CC0 public domain dedication. The University of Florida Libraries, as creator of this bibliographic record, has waived all rights to it worldwide under copyright law, including all related and neighboring rights, to the extent allowed by law.
Statement of Responsibility: by Yunseok Im.
Thesis: Thesis (M.E.)--University of Florida, 2010.
Local: Adviser: Jang, Myoseon.

Record Information

Source Institution: UFRGP
Rights Management: Applicable rights reserved.
Classification: lcc - LD1780 2010
System ID: UFE0042640:00001


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2.1. Teflon F ilm I ndoor C hamber E xperiment s

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2.2. MB O xidation P roduct A nalysis

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.

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3.1. Determination of Mechanism and Reaction R ate C onstants

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3.2. Active C hlorine F ormation in S alineOxone A erosol

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3.3. Simulation

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4.1. Effect of A ctive C hlorines on MB O xidation 4.1.1. MB with A ctive C hlorines under the D ark C ondition 4.1.2. Effect of A ctive C hlorines on M B O xidation under the UV C ondition

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4.2. Oxygenated P roducts from MB P hotooxidation

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4.3. Model S imulation vs. Observation

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4.4. Impact of A ctive C hlorines on O zone F ormation

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Products RTa (min) MW Deriv. MW CI EI M+1 M197 181 M225 M211 M197 M181 M30 M17 M15 M-1 M M+1 M+181 239 43

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A.1 Inor ganic Reaction Mechanism // I == INORGANIC CHEMISTRY =========================================== // a) NO2 photolysis -------------------------------------------------NAMES PhotoRateIDs += { NO2_to_O3P }; R[Ia1]= NO2 hv > NO + O3P @ j[NO2_to_O3P]; R[Ia2]= O3P + O2 + M ----> O3 + M @ 6.0E34*T_300^ 2.3; R[Ia3]= O3 + NO ----> NO2 + O2 @ 2.0E12*EXP( 1400.0 /TK); //(1.8E 14) // Ia2, Ia3 NASA97, T1 R[Ia4]= O3P + NO2 ----> NO + O2 @ 6.5E12*EXP( 120.0 /TK); // Ia4 NASA97, T1 R[Ia5]= O3P + NO2 ---> NO3 + O2 @ TROE( 9.00E 32*T_300^ 2.0, 2.2E 11 ,b[M], 0.6); R[Ia6]= O3P + NO ---> NO2 @ TROE( 9.00E 32*T_300^ 1.5, 3.0E 11 b[M], 0.6 ); // Ia5 and Ia6 NASA97, T2 R[Ia7]= NO + NO + O2 ----> 2.0*NO2 @ 3.30E 39 *EXP(530.0 /TK); // Ia7 IUPAC97 // b) NO3 CHEMISTRY -------------------------------------------------NAMES PhotoRateIDs += { NO3_to_NO, NO3_to_NO2 }; R[Ib1] = O3 + NO2 ---> NO3 + O2 @ 1.2E 13 *EXP( 2450.0 /TK); //(3E 17) R[Ib2] = NO3 hv> NO + O2 @ j[NO3_to_NO]; R[Ib2b]= NO3 hv> NO2 + O3P @ j[NO3_to_NO2]; R[Ib3] = NO3 + NO ----> 2.0*NO2 @ 1.50E 11 *EXP( 170.0 /TK); R[Ib4] = NO3 + NO2 ---> NO + NO2 + O2 @ 4.50E 14 *EXP( 1260.0 /TK); R[Ib5f]= NO3 + NO2 -M -> N2O5 @ TROE( 2.20E 30*T_300^ 3.9, 1.50E 12 *T_300^ 0.7 b[M], 0.6 ) ; R[Ib5r]= N2O5 ---> NO3 + NO2 @ k[Ib5f]/(2.7E 27 *EXP( 11000.0 /TK)) ; // Ib5f NASA97, T2; // Ib5r Ke=2.7E 27*EXP(11000/T) R[Ib7]= N2O5 + H2O ----> 2.0*HNO3 @ 1.5E 21 ; // homogeneous rate only // c) OZONE photolysis -----------------------------------------------NAMES PhotoRateIDs += { O3_to_O3P, O3_to_O1D }; R[Ic1] = O3 hv > O3P + O2 @ j[O3_to_O3P] ; R[Ic2] = O3 hv > O1D + O2 @ j[O3_to_O1D] ; R[Ic3] = O1D + M ----> O3P + M @ 1.92E11*EXP( 126.0 /TK) ; // ave of N2 and O2 rates R[Ic4] = O1D + H2O ----> 2.0*OH @ 2.20E 10 ; R[Ic5] = O3 + OH ---> HO2 + O2 @ 1.60E 12 *EXP( 940.0 /TK) ; R[Ic6] = O3 + HO2 ----> OH + 2.0 O2 @ 1.10E14*EXP( 580.0 /TK) ; // d) HONO CHEMISTRY ------------------------------------------------NAMES PhotoRateIDs += { HONO_to_OH }; R[Id1] = NO + NO2 + H2O ----> 2.0 *HONO @ 4.4E 40 ; R[Id2] = HONO + HONO ---> NO + NO2 +H2O @ 1.0E 20 ; R[Id3] = OH + NO -M -> HONO @ TROE( 7.00E 31 *T_300^ 2.6 3.60E 11 *T_300^ 0.1 b[M], 0.6) ;

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R[Id4] = HONO hv> OH + NO @ j[HONO_to_OH] ; R[Id5] = OH + HONO ---> NO2 + H2O @ 1.80E 11*EXP( 390.0 /TK); // e) NO/NO2 with HO2 -----------------------------------------------R[Ie1] = HO2 + NO ---> OH + NO2 @ 3.50E 12 *EXP(250.0 /TK) ; R[Ie2f] = HO2 + NO2 -M -> PNA @ TROE( 1.80E 31*T_300^ 3.2, 4.70E 12 *T_300^ 1.4, b[M], 0.6 ); R[Ie2r] = PNA -M -> HO2 + NO2 @ k[Ie2f]/( 2.1E27*EXP( 10900.0 /TK)); // Ie2f NASA97, T2; Ie2r Ke=2.1 E27*EXP(10900/T) R[Ie3] = OH + PNA ---> NO2 + H2O + O2 @ 1.30E 12 *EXP(380.0 /TK) ; // f) HO2 TERMINATION REACTIONS --------------------------------------NAMES PhotoRateIDs += { H2O2_to_OH }; R[If1] = OH + NO2 -M --> HNO3 @ TROE( 2.6E 30*T_300^ 2.9, 7.5E 11 *T_300^ 0.6 b[M], 0.41 ); //IUPAC 6:97 R[If2] = OH + HNO3 ---> NO3 +H2O @ 7.20E 15 *EXP( 785.0 /TK) + LMHW( 1.90E 33 *EXP( 725.0 /TK), 4.10E 16 *EXP( 1440.0 /TK),b[M]); // NASA97 R[If3] = HO2 + HO2 ----> H2O2 + O2 @ ( 2.2E13*EXP( 600.0 /TK) + 1.9E 33 *EXP( 980.0 /TK) b[M] ) ( 1.0 + 1.4E 21 *EXP( 2200.0 /TK) b[H2O] ); // IUPAC 97 R[If6] = H2O2 hv> 2.0*OH @ j[H2O2_to_OH]; R[If7] = OH + H2O2 ---> HO2 + H2O @ 2.90E 12 *EXP( 160.0 /TK) ; R[If8] = OH + HO2 ----> O2 + H2O @ 4.80E 11*EXP( 250.0 /TK) ; // If3 -If5 NASA97, T1, note B13 // g) OH basic PROPAGATION REACTIONS -------------------------------------R[Ig1] = OH + CO ---> HO2 + CO2 @ 1.50E 13 ( 1.0 + 0.6 *Patm) ; R[Ig2] = OH + CH4 ---> 'CH3O2.' + 'H COH' + HO2 @ 2.45E12*EXP( 1775.0 /TK); // NASA 97 // Declare species NR, which is used to provide // mass balance with ambient inputs of propane, etc.. R[NR_1] = ----> NR @ 0.0 ; // end of principle mechanism file. A.2 Act ive Chlorine Reaction Mechanism // HOCL chemistry =========================================== NAMES PhotoRateIDs += { HOCL_to_OH, CL2_to_CL, HCL_to_CL, CLO_to_CL }; R[HOCL1] = CLO hv > O3P + CL @ j[CLO_to_CL]; R[HOCL2] = HOCL hv > OH + CL @ j[HOCL_to_OH]; R[HOCL3] = CL2 hv > CL + CL @ j[CL2_to_CL]; R[HOCL4] = HCL hv > H + CL @ j[HCL_to_CL]; R[HOCL5] = O3P + HOCL ----> OH + CLO @ 1.7E 13 ; R[HOCL6] = CL + O3 ----> CLO + O2 @ 2.3E 11 *EXP( 200.0 /TK); R[HOCL7] = CL + H2 ----> HCL + HO2 @ 3.05E 11 *EXP( 2270.0/TK);

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R[HOCL 8] = CL + H2O2 ----> HCL + HO2 @ 1.1E 11 *EXP( 980.0 /TK); R[HOCL9] = CL + CLONO2 ----> CL2 + NO3 @ 6.8E 12 *EXP( 160.0 /TK); R[HOCL10] = CL + HOCL ----> CL2 + OH @ 2.5E 12 *EXP( 130.0 /TK); R[HOCL11] = CL + NO + M ----> NOCL + M @ 7.6E 32 *(TK/ 300.0 )^ 1.8; R[HOCL12] = CL + NO3 ----> CLO + NO2 @ 2.40E 11 ; R[HOCL13] = CLO + NO ----> CL + NO2 @ 6.4E 12 *EXP( 290.0 /TK) ; R[HOCL14] = CLO + HO2 ----> HOCL + O2 @ 4.8E 13 *EXP( 700.0 /TK) ; R[HOCL15] = CLO + O3P ----> CL + O2 @ 3.80E 11 ; R[HOCL16] = CLO + OH ----> HO2 + CL @ 1.1E 11 *EXP( 120.0 /TK)* 0.98 ; R[HOCL17] = CLO + OH ----> HCL + O2 @ 1.1E 11 *EXP( 120.0 /TK)* 0.02 ; R[HOCL18] = CLO + O3P ----> CL + O2 @ 2.8E 11 *EXP( 85.0 /TK) ; R[HOCL19] = CLO + NO2 + M ----> CLONO2 + M @ 1.8E 31 *(TK/ 300.0 )^ 3.4; //2.38E 12 ; R[HOCL20] = CLONO2 ----> CLO + NO2 @ 5.49E 04 ; R[HOCL21] = CLONO2 + OH ----> HOCL + NO3 + HNO3 + CLO @ 1.2E 12 *EXP( 330.0 /TK)* 0.5 ; R[HOCL22] = CLO + CLO ----> CL2 + O2 @ 1.0E 12 *EXP( 1590.0 /TK) ; R[HOCL23] = CLO + CLO ----> CLOO + CL @ 3.0E 11 *EXP( 2450.0 /TK) ; R[HOCL24] = CLO + CLO ----> OCLO + CL @ 3.5E 13 *EXP( 1370.0 /TK) ; R[HOCL25] = CLO + C LO + M ----> CL2O2 + M @ 1.6E 32 *(TK/ 300.0 )^ 4.5 ; R[HOCL26] = OH + HCL ----> CL + H20 @ 2.6E 12 *EXP( 350.0 /TK) ; R[HOCL27] = OH + HOCL ----> CLO + H20 @ 3.0E 12 *EXP( 500.0 /TK) ; R[HOCL28] = NO3 + HCL ----> HNO3 + CL @ 5.00E 17 ; R[HOCL29] = CL + NO2 + M ----> CLNO2 + M @ 1.8E 31 *(TK/ 300.0 )^ 2.0; R[HOCL30] = CL2 + OH ----> HOCL + CL @ 1.4E 12 *EXP( 900.0 /TK) ; R[HOCL31] = CLO + O3 ----> CLOO + O2 @ 1.4E 17 ; R[HOCL32] = CLO + O3 ----> OCLO + O2 @ 1.0E 12 *EXP( 4800.0 /TK); R[HOCL33] = CLO + CH4 ----> @ 4.0E 18 ; // end of principle mechanism file. A.3 MB Reaction Mechanism // ********************************************************************* // MECHANISM FOR 2 methly -2butene with OH and CL radicals // ********************************************************************* // //*****MCM reaction rate coefficients*****// SCALARS //simple rate coefficient KRO2NO, KRO2HO2, KAPHO2, KAPNO, KRO2NO3, KNO3AL, KDEC, KROPRIM KROSEC, //complex rate coeffieient KFPAN, KBPAN, KMT01, KMT02, KMT03, KMT04, KMT05,

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KMT06, KMT07, KMT08, KMT09, KMT10, K1, K3, K4, K2, KMT11, KMT12, KMT13, KMT14, KMT15, KMT16, KMT17; //simple rate coefficients withk KRO2NO = 2.54E 12 *EXP(360.0 /TK); wi thk KRO2HO2 = 2.91E 13 *EXP(1300.0 /TK); withk KAPHO2 = 4.30E 13 *EXP(1040.0 /TK); withk KAPNO = 8.10E 12 *EXP(270.0 /TK); withk KRO2NO3 = 2.50E 12 ; withk KNO3AL = 1.44E 12 *EXP(1862.0 /TK); withk KDEC = 1.00E+06 ; withk KROPRIM = 6.00E 14 *EXP(550.0 /TK); wit hk KROSEC = 1.50E 14 *EXP(200.0 /TK); //complex rate coefficients // withk KFPAN = TROE( 2.70E 28*(T_300)^ 7.1 1.20E 11 *(T_300)^ 0.9, b[M], 0.3); withk KBPAN = TROE( 4.90E 03 *EXP( 12100.0 /TK), 5.40E+16 *EXP( 13830.0 /TK), b[M], 0.3); withk KMT01 = TROE( 1.00E 31 *(T_300)^ 1.6, 3.00E 11 *(T_300)^ 0.3 b[M], 0.85 ); withk KMT02 = TROE( 1.30E 31*(T_300)^ 1.5 2.30E 11 *(TK/ 200)^ 0.24, b[M], 0.6); withk KMT03 = TROE( 3.60E 30*(T_300)^ 4.1 1.90E 12 *(T_300)^ 0.2, b[M], 0.35 ); withk KMT04 = TROE( 1.00E 03*(T_300)^ 3.5 *EXP( 11000.0 /TK), 9.70E+14 *(T_300)^ 0.1*EXP ( 11080.0 /TK), b[M], 0.35 ); withk KMT05 = 1 + (( 0.6*b[M])/(2.652E+19 *( 300.0 /TK))); withk KMT06 = 1 + (1.40E 21 *EXP( 2200.0 /TK)*b[H2O]); withk KMT07 = TROE( 7.40E 31*(T_300)^ 2.4 3.30E 11 *(T_300)^ 0.3, b[M], EXP( TK/14 20.0 )); withk KMT08 = TROE( 3.30E 30*(T_300)^ 3.0 4.10E 11 b[M], 0.4); withk KMT09 = TROE( 1.80E 31*(T_300)^ 3.2 4.70E 12 b[M], 0.6); withk KMT10 = TROE( 4.10E 05 *EXP( 10650.0 /TK), 4.80E+15 *EXP( 11170.0 /TK), b[M], 0.5 ); withk K1 = 2.40E 14 *EXP( 460.0 /TK) ; withk K3 = 6.50E 34 *EXP( 1335.0/TK); withk K4 = 2.70E 17 *EXP( 2199.0/TK); withk K2 = (K3*b[M])/( 1 +(K3*b[M]/K4)); withk KMT11 = K1 + K2 ; withk KMT12 = TROE( 4.00E 31*(T_300)^ 3.3 2.00E 12 b[M], 0.45 ); withk KMT13 = TROE( 2.50E 30 *(T_300)^ 5.5, 7.50E 12 b[M], 0.36 ); withk KMT14 = TROE( 9.00E 05*EXP( 9690.0 /TK), 1.10E+16 *EXP( 10560.0 /TK), b[M], 0.36); withk KMT15 = TROE( 7.00E 29*(T_300)^ 3.1 9.00E 12 b[M], 0.48 ); withk KMT16 = TROE( 8.00E 27*(T_300)^ 3.5 3.00E 11 b[M], 0.5); withk KMT17 = TROE( 5.00E 30*(TK/ 298.0 )^1.5, 9.40E 12 *EXP( 700.0/TK), b[M], EXP( TK/580.0 ) + EXP( 2320.0 /TK)); // //22 NAMES PhotoRateIDs += {

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MACR_to_Prods, HCHO_to_HO2, HCHO_to_H2, CH3CHO_TO_HCO, HOCH2CHO_to_RO2, iC3H7CHO_to_HCO, METHACRO_to_HCHO, HOCH2COCH3_to_CH3CO, GLY_to_HO 2, GLY_to_HCHO, MGLY_to_HO2, CH3COCOCH3_to_CH3CO, COOH_to_HO2, CH3COCH3_to_CH3CO, CH3CHNO3COCH3_to_NO2, iC5H11NO3_to_NO2, CH2NO3CHNO3CHCH2_to_NO2, tC4H9NO3_to_NO2, HONO_to_NO, CH3NO3_to_NO2, CH3OOH_to_CH3O, MVK_to_MARCO3}; // Add a bulk species to hold the sum of all RO2 conc NAMES BlkSpcIDs += { RO2 }; before b[RO2] = 0.0 ; //0 REFERENCE R[MBabs1]= 'CH3C(CH3)=CH CH3' + CL ----> 'CH3 C(CH3)=CHCH2O2.' + HCL @ 2.98E 11* 0.4 ; // 1 ATKINSON 1997 R[MBabs2]= 'CH3C(CH3)=CH CH3' + CL ----> 'CH2=CH C(CH3)(O2.) CH3'+ HCL @ 2.98E 11* 0.6 ; // 1 ATKINSON 1997 R[MBabs3]= 'CH3C(CH3)=CH CH3' + CL ----> 'CIS CH2(O2.)C(CH3)=CHCH3'+ HCL @ 2.98E 11* 0.5 ; // 1 ATKINSON 1997 R[MBabs4]= 'CH3C(CH3)=CH CH3' + CL ----> 'CH2=C(CH3) CH(O2.) CH3' + HCL @ 2.98E 11* 1.0 ; // 2 ATKINSON 1997 R[MBabs5]= 'CH3C(CH3)=CH CH3' + CL ----> 'TRAN CH2(O2.)-C(CH3)=CH CH3'+ HCL @ 2.98E 11* 0.5 ; // 2 ATKINSON 1997 //00 R[MBabs1H]= 'CH3 C(CH3)=CHCH3' + OH ----> 'CH3 C(CH3)=CHCH2O2.' @ 1.36E 13* 0.4 ; // 1 ATKINSON 1995 R[MBabs2H]= 'CH3 C(CH3)=CHCH3' + OH ----> 'CH2=CH C(CH3)(O2.) CH3' @ 1.36E 13* 0.6 ; // 1 ATKINSON 1995 R[MBabs3H]= 'CH3 C(CH3)=CHCH3' + OH ----> 'CIS CH2(O2.)C(CH3)=CHCH3' @ 1.36E 13* 0.5 ; // 1 ATKINSON 1995 R[MBabs4H]= 'CH3 C(CH3)=CHCH3' + OH ----> 'CH2=C(CH3) CH(O2.) CH3' @ 1.36E 13* 1.0 ; // 2 ATKINSON 1995 R[MBabs5H]= 'CH3 C(CH3)=CHCH3' + OH ----> 'TRAN CH2(O2.)-C(CH3)=CH CH3' @ 1.36E 13* 0.5 ; // 2 ATKINSON 1995 //1 R[MBabs7]= 'CH3C(CH3)=CH CH2 O2.' + RO2 ----> 'CH3 C(CH3)=CHCH2O.' @ 2.4E 12 0.8 ; // 1-0 ISOPAO2 R[MBabs8]= 'CH3C(CH3)=CH CH2 O2.' + RO2 ----> 'HCO CH=C(CH3)CH3)' @ 2.4E 12 0.1 ; // 1-1 ISOPAO2 (mw84) R[MBabs9]= 'CH3C(CH3)=CH CH2O2.' + RO2 ----> 'HO CH2 CH=C(CH3) CH3' @ 2.4E 12 0.1 ; // 1-2 ISOPAO2 //NOX OZONE R[MBabs9A]= 'CH3C(CH3)=CH CH2 O2.' + NO ---> 'CH3 C(CH3)=CHCH2O.' + NO2 @KRO2NO* 0.892 ; // ISOPAO2 R[MBabs10A]= 'CH3C(CH3)=CH CH2 O2.' + HO2 ---> HOO CH2CH=C(CH3) CH3' @KRO2HO2* 0.706 ; // ISOPAO2 R[MBabs11A]= 'CH3C(CH3)=CH CH2 O2.' + NO3 ---> 'CH3 C(CH3)=CHCH2O.' + NO2 @KRO2NO3 ; // ISOPAO2 R[MBabs12A]= 'HOOCH2 CH=C(CH3) CH3' + OH ---> 'HCO CH=C(CH3) CH3' + OH @ 1.07E 10 ; // 1-2 ISOPAOOH R[MBabs13A]= 'HOOCH2 CH=C(CH3) CH3' + CL ---> 'HCO CH=C(CH3) CH3' + OH +HCL @ 3.1E 11 ; // R[MBabs14A]= 'HOOCH2 CH=C(CH3) CH3' hv-> 'CH3 C(CH3)=CHCH2O2.' + OH @j[COOH_to_HO2] ; // COOH(j41) // R[MBabs10]= 'CH2=CH C(CH3)(O2 .) CH3' + RO2 ----> 'CH2=CH C(CH3)(O.) CH3' @ 1.6E 13 0.7 ; // 1-3 JENKIN 1995 R[MBabs11]= 'CH2=CH C(CH3)(O2.) CH3' + RO2 ----> 'CH3 C(CH3)(OH) CH=CH2' @ 1.6E 13 0.3 ; // 1-3 JENKIN 1995 // NOX OZONE R[MBabs15A]= 'CH2=CH C(CH3)(O2.) CH3' + NO ----> 'CH2=CH C(CH3)(NO3) CH3' @KRO2NO* 0.072 ; // ISOPBO2 R[MBabs16A]= 'CH2=CH C(CH3)(O2.) CH3' + NO ----> 'CH2=CH C(CH3)(O.) CH3' + NO2 @KRO2NO* 0.928 ; // ISOPBO2 R[MBabs17A]= 'CH2=CH C(CH3)(O2.) CH3' + HO2 ----> 'CH3 C(CH3)(OOH) CH=CH2' @KRO2HO2* 0.706 ; // ISOPBO2

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R[MBabs18A]= 'CH2=CH C(CH3)(O2.) CH3' + NO3 ----> 'CH2=CH C(CH3)(O.) CH3' + NO2 @KRO2NO3 ; // ISOPBO2 R[MBabs19A]= 'CH2=CH C(CH3)(NO3) CH3' hv -> 'CH2=CH C(CH3)(O.) CH3' @j[tC4H9NO3_to_NO2]; //t C4h9no3.cqy(J55) R[MBabs20A]= 'CH3C(CH3)(OOH) CH=CH2' + OH ----> 'CH2=CH C(CH3)(O2.) CH3' @ 4.20E 11 ; // ISOPBOOH R[MBabs21A]= 'CH3C(CH3)(OOH) CH=CH2' + CL ----> 'CH2=CH C(CH3)(O2.) CH3' +HCL @ 4.4E 11 ; // ISOPBOOH R[MBabs22A]= 'CH3C(CH3)(OOH) CH=CH2' hv -> 'CH2=CH C(CH3)(O.) CH3' + OH @j[COOH_to_HO2]; // COOH(j41) // R[MBabs12]= 'CISCH2(O2.) C(CH3)=CH CH3' + RO2 ----> 'CIS CH2(O.) C(CH3)=CH CH3' @ 2.4E 12 0.8 ; // 1-4 ISOPAO2 R[MBabs13]= 'CISCH2(O2.) C(CH3)=CH CH3' + RO2 ----> 'CIS -HCOC(CH3)=CH CH3' @ 2.4E 12 0.1 ; // 1-5 ISOPAO2 (mw84) R[MBabs14]= 'CISCH2(O2.) C(CH3)=CH CH3' + RO2 ----> 'CIS HO CH2C(CH3)=CH CH3' @ 2.4E 12 0.1 ; // 1-6 ISOPAO2 // R[MBabs23A]= 'CISCH2(O2.) C(CH3)=CH CH3' + NO ----> 'CIS -C H2(O.) C(CH3)=CH CH3' + NO2 @KRO2NO* 0.892 ; // ISOPAO2 R[MBabs23B]= 'CISCH2(O2.) C(CH3)=CH CH3' + NO ----> 'CIS NO3CH2 C(CH3)=CH CH3' @KRO2NO* 0.108 ; // ISOPAO2 R[MBabs23C]= 'CISCH2(O2.) C (CH3)=CH CH3' + NO3 ----> 'CIS CH2(O.) C(CH3)=C HCH3' + NO2 @KRO2NO3 ; // ISOPAO2 R[MBabs24A]= 'CISCH2(O2.) C(CH3)=CH CH3' + HO2 ----> 'CIS HOOCH2 C(CH3)=CH CH3' @KRO2HO2* 0.706 ; // ISOPAO2 R[MBabs25A]= 'CISHOO CH2C(CH3)=CH CH3' + OH ----> 'CIS -HCOC(CH3)=CH CH3' + OH @ 1.07E 10 ; // ISOPAOOH R[MBabs26A]= 'CISHOO CH2C(CH3)=CH CH3' + CL ----> 'CIS -HCOC(CH3)=CH CH3' + OH +HCL @ 3.1E 11 ; // R[MBabs27A]= 'CISHOO CH2C(CH3)=CH CH3' hv -> 'CIS CH2(O.) C(CH3)=CH CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) //1-0 R[MBabs16]= 'CH3C(CH3)=CH CH2 O.' + O2 ----> 'HCO CH=C(CH3)CH3' @KROPRIM ; // 1-1 IPEAO R[MBabs17]= 'CH3C(CH3)=CH CH2 O.' ----> 'CIS HO CH2CH=C(CH3) CH2O2.' @ 3.05E+11 *EXP( 4240 /TK)* 0.5 ; // IPEAO R[MBabs17B]= 'CH3C(CH3)=CH CH2 O.' ----> 'CH3 CO CH3' + CO + 'H CO H' @ 3.05E+11 *EXP( 4240 /TK)* 0.5 ; // IPEAO R[MBabs18]= 'CISHOCH2 CH=C(CH3) CH2O2.' + RO2 ----> 'CIS HO CH2CH=C(CH3) CH2O.' @ 2.00E 12* 0.8 ; // ISOPCO2 R [MBabs19]= 'CISHOCH2 CH=C(CH3) CH2O2.' + RO2 ----> 'CIS HO CH2CH=C(CH3) CO H' @ 2.00E 12* 0.1 ; // 1-0-1 ISOPCO2 R[MBabs20]= 'CISHOCH2 CH=C(CH3) CH2O2.' + RO2 ----> 'CIS HO CH2C(CH3)=CH CH2OH' @ 2.00E 12* 0.1 ; // 1-0-2 ISOPCO2 R[MBabs21]= 'CISHOCH2 CH=C(CH3) CH2O.' ----> 'CIS HO CH2C(CH3)=CH CO H' + HO2 @ 8.4E+10 *EXP(3523/TK)* 0.3; // 1-0-2 ISOPCO R[MBabs22]= 'CISHOCH2 CH=C(CH3) CH2O.' ----> 'HCO H' + 'HO CH2C0H' + 'CO(O2.) CH3' @ 8.4E+10 *EXP(3523/TK)* 0.7; // 1-02ISOPCO // R[MBabs28A]= 'CISHOCH2CH=C(CH3) CH2O2.' + NO ----> 'CIS HO CH2CH=C(CH3) CH2NO3' @KRO2NO* 0.108 ; // ISOPCO2 R[MBabs29A]= 'CISHOCH2 CH=C(CH3) CH2O2.' + NO ----> 'CIS HO CH2CH=C(CH3) CH2O.' + NO2 @KRO2NO* 0.892 ; // ISOPCO2 R[MBabs30A]= 'CISHOCH2 CH=C(CH3) CH2O2.' + NO3 ----> 'CIS HO CH2CH=C(CH3) CH2O.' + NO2 @KRO2NO3 ; // ISOPCO2 R[MBabs31A]= 'CISHOCH2 CH=C(CH3) CH2O2.' + HO2 ----> 'CIS HOOCH2 C(CH3)=CH CH2OH' @KRO2HO2* 0.706 ; // ISOPCO2 R[MBabs32A]= 'CISHOO CH2C(CH3)=CH CH2 OH' + OH ----> 'CIS HO CH2CH=C(CH3) CO H' @ 1.07E 10; // ISOPCOOH R[MBabs33A]= 'CISHOO CH2C(CH3)=CH CH2 OH' + CL ----> 'CIS HO CH2CH=C(CH3) CO H'+HCL @ 4.4E 11 ; // ISOPCOOH R[MBabs34A]= 'CISHOO CH2C(CH3)=CH CH2 OH' hv -> 'CIS HO CH2CH=C(CH3) CH 2O.' @j[COOH_to_HO2] ; // COOH(j41) R[MBabs35A]= 'CISHOCH2 CH=C(CH3) CH2NO3' + OH ----> 'CIS HO CH2CH=C(CH3) CO H' + NO2 @ 8.91E 11; // ISOPCNO3 R[MBabs36A]= 'CISHOCH2 CH=C(CH3) CH2NO3' + CL ----> 'CIS HO CH2CH=C(CH3) CO H' +HCL + NO2 @ 3.75E 10 ; // R[MBabs37A]= 'CISHOCH2 CH=C(CH3) CH2NO3' hv -> 'CIS HO CH2CH=C(CH3) CH2O.' + NO2 @j[CH2NO3CHNO3CHCH2_to_NO2] ; // (J53) //1 -0-1 R[MBabs23]= 'CIS HO CH2CH=C(CH3) CO H' + OH ----> 'CISHOCH2 CH=C(CH3) CO O2.' @ 2.21E 11* 0.48; // HC4CCHO R[MBabs24]= 'CIS HO CH2CH=C(CH3) CO H' + CL ----> 'CISHOCH2 CH=C(CH3) CO O2.' +HCL @ 4.22E 10* 0.3; // R[MBabs25]= 'CIS HO CH2CH=C(CH3) CO H' + OH ----> 'HOCH2CH(OH) C(CH3)(O2.) COH' @ 4 .52E 11* 0.52 ; // 1-0-1-1 HC4CCHO R[MBabs26]= 'CIS HO CH2CH=C(CH3) CO H' + CL ----> 'HOCH2CH(CL) C(CH3)(O2.) COH' +HCL @ 2.21E 10* 0.7 ; // 1-0-1-2 R[MBabs27]= 'CIS HO CH2CH=C(CH3) CO H' hv -> 'CISHOCH2 CH=C(CH3) CO O2.' + HO2 @j[MACR_to_Prods] ; // Macr(j19) R [MBabs28]= 'CIS HO CH2CH=C(CH3) CO H' hv -> 'CO(O2.) CH3' + HO2 + CO + 'HO CH2COH' @j[METHACRO_to_HCHO] ; // METHACRO(j18) R[MBabs29]= 'CISHOCH2 CH=C(CH3) CO O2.' + RO2 ----> 'CISHOCOC(CH3)=CH CH2OH' @ 1.00E 11* 0.3 ; // HC4CCO3 R[MBabs30]= 'CISHOCH2 CH=C(CH3) CO O2.' + RO2 ----> 'HOCH2COH' + 'CO(O2.) CH3' @ 1.00E 11* 0.7 ; // HC4CCO3 R[MBabs31]= 'CISHOCOC(CH3)=CH CH2OH' + OH ----> 'HOCH2COH' + 'CO(O2.) CH3' @ 2.52E 11 ; // HC4CCO2H R[MBabs32]= 'CISHOCOC(CH3)=CHCH2OH' + CL ----> 'HOCH2COH' + 'CO(O2.) CH3'+HCL @ 1.03E 10 ; // // R[MBabs22B]= 'CIS HO CH2CH=C(CH3) CO H' + O3 ----> 'H CO CO CH3' + 'HO CH2 C(=O O) H' @ 2.4E 17 0.5 ; // HC4CCHO R[MBabs24B]= 'CIS HO CH2CH=C(CH3) CO H' + O3 ---> 'HOCH 2COH' + 'H CO C(=OO)CH3' @ 2.4E 17 0.5 ; // HC4CCHO //GAOOB R[MBabs25B]= 'HO CH2 C(=O O)H' ----> 'HOCH2C(=O O) H( 2 )' @KDEC* 0.11 ; // GAOOB R[MBabs26B]= 'HO CH2 C(=O O)H' ----> OH + HO2 + CO + 'H CO H' @KDEC* 0.89 ; // GAOOB //GAOO R[MBabs27B]= 'HO CH2 C(=O O)H(2 )' + CO ----> 'HOCH2COH' @ 1.2E 15 ; // GAOO

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R[MBabs28B]= 'HO CH2 C(=O O)H(2 )' + H2O ----> 'HOCO CH2OH' @ 1.0E 17 ; // GAOO R[MBabs29B]= 'HO CH2 C(=O O)H(2 )' + NO ----> 'H OCH2COH' + NO2 @ 1.0E 14 ; // GAOO R[MBabs30B]= 'HO CH2 C(=O O)H(2 )' + H2O ----> 'HOCH2COH' + H2O2 @ 6.0E 18 ; // GAOO R[MBabs31B]= 'HO CH2 C(=O O)H(2 )' + NO2 ----> 'HOCH2COH' + NO3 @ 1.0E 15 ; // GAOO //MGLYOOA R[MBabs32B]= 'HCO C(=O O) CH3' ----> 'H CO C(=OO)CH3( 2 )' @KDEC* 0.11 ; // MGLYOOA R[MBabs33B]= 'HCO C(=O O) CH3' ----> OH + CO + 'CO(O2.) CH3' @KDEC* 0.89 ; // MGLYOOA //MGLYOOA R[MBabs34B]= 'HCO C(=O O) CH3(2 )' + CO ----> 'H CO CO CH3' @ 1.2E 15 ; // MGLYOOA R[MBabs35B]= 'HCO C(=O O) CH3(2 )' + NO ----> 'H CO CO CH3' + NO2 @ 1.0E 14 ; // GAOO R[MBabs36B]= 'HCO C(=O O) CH3(2 )' + H2O ----> 'H CO CO CH3' + H2O2 @ 6.0E 18 ; // GAOO R[MBabs37B]= 'HCO C(=O O) CH3(2 )' + NO2 ----> 'H CO CO CH3' + NO3 @ 1.0E 15 ; // GAOO // R[MBabs38A]= 'CISHOCH2 CH=C(CH3) CO O2.' + HO2 ----> 'CISHOO CO C(CH3)=CH CH2OH' @KAPHO2* 0.71 ; // HC4CCO3 R[MBabs39A]= 'CISHOCH2 CH=C(CH3) CO O2.' + HO2 ----> 'CISHOCOC(CH3)=CH CH2OH' + O3 @KAPHO2* 0.29 ; // HC4CCO3 R[MBabs40A]= 'CISHOCH2 CH=C(CH3) CO O2.' + NO2 ----> 'CISHOCH2 CH=C(CH3) CO -ONO3' @KFPAN ; // HC4CCO3 R[MBabs41A]= 'CISHOCH2 CH=C(CH3) CO O2.' + NO ----> 'HOCH2CO-H + 'CO(O2.) CH3' + NO2 @KAPNO ; // HC4CCO3 R[MBabs42A]= 'CISHOCH2 CH=C(CH3) CO O2.' + NO3 ----> 'HOCH2COH' + 'CO(O2.) CH3' + NO2 @KRO2NO3* 1.6 ; // HC4CCO3 R[MBabs43A]= 'CISHOO CO C(CH3)=CH CH2OH' + OH ----> 'CISHOCH2 CH=C(CH3) CO O2.' @ 2.88E 11 ; // HC4CCO3H R[MBabs44A]= 'CISHOO CO C(CH3)=CH CH2OH' + CL ----> 'CISHOCH2 CH=C(CH3) CO O2.'+HCL @ 4.4E 11 ; // R[MBabs45A]= 'CISHOO CO C(CH3)=CH CH2OH' h v -> 'HOCH2COH' + 'CO(O2.) CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs46A]= 'CISHOCH2 CH=C(CH3) CO -ONO3' ----> 'CISHOCH2 CH=C(CH3) CO O2.' + NO2 @KBPAN ; // C5PAN19 R[MBabs47A]= 'CISHOCH2 CH=C(CH3) CO -ONO3' + OH ----> 'HOCH2CH(OH) COCH3' + CO + NO2 @ 2.52E 11 ; // C5PAN19 R[MBabs48A]= 'CISHOCH2 CH=C(CH3) CO -ONO3' + CL ----> 'HOCH2CH(OH) COCH3' + CO + NO2 +HCL @ 1.03E 10 ; // C5PAN19 // HO12CO3C4 R[MBabs49A]= 'HOCH2CH(OH) COCH3' + OH ----> 'HOCH2COCOCH3' + HO2 @ 1.88E 11 ; // R[MBabs50A]= 'HOCH2CH(OH) COCH3' + CL ----> 'HOCH2COCOCH3' + HO2 + HCL @ 4.12E 11 ; // R[MBabs51A]= 'HOCH2CH(OH) COCH3' hv -> 'HOCH2COH' + 'CO(O2.) CH3' + HO2 @j[HOCH2COCH3_to_CH3CO]; //OHAcetone(j22) //1 -0-1-1 R[MBabs34]= 'HOCH2CH(OH) C(CH3)(O2.) -COH' + RO2 ----> 'HOCH2CH(OH) C(CH3)(OH) CO H' @ 9.20E 14* 0.3 ; // C57O2 R[MBabs35]= 'HOCH2CH(OH) C(CH3)(O2.) COH' + RO2 ----> 'HOCH2CH(OH) C(CH3)(O.) CO H' @ 9.20E 14* 0.7 ; // C57O2 R[MBabs36]= 'HOCH2CH(OH) C(CH3)(OH) CO H' + OH ----> 'HOCH2CH(OH) C(CH3)(O.) CO H' @ 3.04E 11 ; // C57OH R[MBabs37]= 'HOCH2CH(OH) C(CH3)(OH) CO H' + CL ----> 'HOCH2CH(OH) C(CH3)(O.) CO H' + HCL @ 7.5E 11 ; // R[MBabs38]= 'HOCH2CH(OH) C(CH3)(O.) CO H' ----> 'HOCH2COH' + 'H CO CO CH3' + HO2 @KDEC ; // C57O // R[MBabs52A]= 'HOCH2CH(OH) C(CH3)(O2.) COH' + NO ----> 'HOCH2CH(OH) C(CH3)(O.) CO H' + NO2 @KRO2NO ; // C57O2 R[MBabs53A]= 'HOCH2CH(OH) C(CH3)(O2.) COH' + NO3 ----> 'HOCH2CH(OH) C(CH3)(O.) CO H' + NO2 @KRO2NO3 ; / / C57O2 R[MBabs54A]= 'HOCH2CH(OH) C(CH3)(O2.) COH' + HO2 ----> 'H CO C(CH3)(OOH) CH(OH) CH2OH' @KRO2HO2* 0.706 ; // C57O2 R[MBabs55A]= 'H CO C(CH3)(OOH) CH(OH) CH2OH' hv -> 'HOCH2CH(OH) C(CH3)(O.) CO H'+ OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs56A]= 'H CO C(CH3)(OOH) CH(OH) CH2OH' + OH ----> 'HOCH2CH(OH) C(CH3)(O2.) COH' @ 3.16E 11; // C57O2 R[MBabs57A]= 'H CO C(CH3)(OOH) CH(OH) CH2OH' + CL ----> 'HOCH2CH(OH) C(CH3)(O2.) COH' + HCL @ 4.4E 11 ; // C57O2 //1 -0-12 R [MBabs40]= 'HOCH2CH(CL) C(CH3)(O2.) COH' + RO2 ----> 'HOCH2CH(CL) C(CH3)(OH) CO H' @ 9.20E 14* 0.3 ; // R[MBabs41]= 'HOCH2CH(CL) C(CH3)(O2.) COH' + RO2 ----> 'HOCH2CH(CL) C(CH3)(O.) CO H' @ 9.20E 14* 0.7 ; // R[MBabs42]= 'HOCH2CH(CL) C(CH3)(OH) CO H' + OH ----> 'HOCH2CH(CL) C(CH3)(O.) CO H' @ 3.04E 11 ; // C57OH R[MBabs43]= 'HOCH2CH(CL) C(CH3)(OH) CO H' + CL ----> 'HOCH2CH(CL) C(CH3)(O.) CO H' + HCL @ 1.13E 10 ; // R[MBabs44]= 'HOCH2CH(CL) C(CH3)(O.) CO H' ----> 'HOCH2CH(CL) O2.' + 'H CO CO CH3' @KDEC ; // C57O R[MBabs45]= 'HOCH2CH(CL) O2.' + RO2 ----> 'HOCH2CH(CL) O.' @ 8.80E 13* 0.60 ; // JENKIN1997 R[MBabs46]= 'HOCH2CH(CL) O2.' + RO2 ----> 'HOCH2COCL' @ 8.80E 13* 0.20 ; // JENKIN1997 R[MBabs47]= 'HOCH2CH(CL) O2.' + RO2 ----> 'HOCH2CH(OH) CL' @ 8.80E 13* 0.20 ; // JENKIN1997 R[MBabs48]= 'HOCH2CH(CL) O.' ---> 'H CO H' + 'CL COH' + HO2 @KDEC ; // CL12PRCO // R[MBabs58A]= 'HOCH2CH(CL) C(CH3)(O2.) COH' + NO ----> 'HOCH2CH(CL) C(CH3)(O.) CO H' + NO2 @KRO2NO ; // C57O2 R[MBabs59A]= 'HOCH2CH(CL) C(CH3)(O2.) COH' + NO3 ----> 'HOCH2CH(CL) C(CH3)(O.) CO H' + NO2 @KRO2NO3 ; // C57O2 R[MBabs60A]= 'HOCH2CH(CL) C(CH3)(O2.) COH' + HO2 ----> 'H CO C(CH3)(OOH) CH(CL) CH2OH' @KRO2HO2* 0.706 ; //C57O2 R[MBabs61A]= 'H CO C(CH3)(OOH) CH(CL) CH2OH' hv -> 'HOCH2CH(CL) C(CH3)(O.) CO H' + OH @j[COOH_to_HO2] ; //COOH(j41)

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R[MBabs62A]= 'H CO C(CH3)(OOH) CH(CL) CH2-O H' + OH ----> 'HOCH2CH(CL) C(CH3)(O2.) COH' @ 3.16E 11; // C57O2 R[MBabs63A]= 'H CO C(CH3)(OOH) CH(CL) CH2OH' + CL ----> 'HOCH2CH(CL) C(CH3)(O2.) COH' + HCL @ 4.4E 11 ; // // R[MBabs64A]= 'HOCH2CH(CL) O2.' + NO ----> 'HOCH2CH(CL) O.' + NO2 @KRO2NO ; // JENKIN1997 R[MBabs65A]= 'HOCH2CH(CL) O2.' + NO3 ----> 'HOCH2CH(CL) O.' + NO2 @KRO2NO3 ; // JENKIN1997 R[MBabs66A]= 'HOCH2CH(CL) O2.' + HO2 ----> 'HOOCH(CL) CH2 OH' @KRO2HO2* 0.706 ; // JENKIN1997 R[MBabs67A]= 'HOOCH(CL) CH2 OH' + OH ----> 'HOCH2CH(CL) O2.' @ 3.16E 11; // JENKIN1997 R[MBabs68A]= 'HOOCH(CL) CH2 OH' + CL ----> 'HOCH2CH(CL) O2.' + HCL @ 4.4E 11 ; // JENKIN1997 R[MBabs69A]= 'HOOCH(CL) CH2 OH' hv -> 'HO-C H2CH(CL) O.' @j[COOH_to_HO2] ; // COOH(j41) //1 -0-2 R[MBabs50]= 'CISHOCH2 C(CH3)=CH CH2OH' + OH ----> 'CISHOCH2 C(CH3)=CH C O H' + HO2 @ 9.30E 11* 0.5 ; // ISOPAOH R[MBabs51]= 'CISHOCH2 C(CH3)=CH CH2OH' + CL ----> 'CISHOCH2 C(CH3)=CH CO H' + HO2 + HCL @ 4.16E 10* 0.5 ; // R[MBabs52]= 'CISHOCH2 C(CH3)=CH CH2OH' + OH ----> 'CISHOCH2 CH=C(CH3) CO H' + HO2 @ 9.30E 11* 0.5 ; // 1-0-1 ISOPAOH R[MBabs53]= 'CISHOCH2 C(CH3)=CH CH2OH' + CL ----> 'CISHOCH2 CH=C(CH3) CO H' + HO2 + HCL @ 4.16E 10* 0.5 ; // 1-0-1 R[MBabs54]= 'CISHOCH2 CH=C(CH3) CO H' + OH ----> 'CISHOCH2 C(CH3)=CH CO O2.' @ 4.52E 11* 0.48 ; // 1-0-2-1 HC4ACHO R[MBabs55]= 'CISHOCH2 CH=C(CH3) CO H' + CL ----> 'CISHOCH2 C(CH3)=CH CO O2.' + HCL @ 2.21E 10* 0.5 ; // 1-0-2-1 R[MBabs56]= 'CISHOCH2 CH=C(CH3) CO H' + OH ----> 'HOCH2C(CH3)(O2.) CH(OH) COH' @ 4.52E 11* 0.52 ; // 1-0-2-1 HC4ACHO R[MBabs57]= 'CISHOCH2 CH=C(CH3) CO H' + CL ----> 'HOCH2C(CH3)(O2.) CH(CL) -COH' @ 2.21E 10* 0.5 ; // 1-0-2-2 R[MBabs58]= 'CISHOCH2 CH=C(CH3) CO H' hv -> 'CISHOCH2 C(CH3)=CH CO O2.' @j[MACR_to_Prods] ; // Macr(j19) R[MBabs59]= 'CISHOCH2 CH=C(CH3) CO H' hv -> 'HOCH2COCH3' + 2 *HO2 + 2 *CO @j[METHACRO_to_HCHO] ; // METHACRO(j18) R[MBabs57C]= 'CISHOCH2 CH=C(CH3) CO H' + O3 ----> 'HOCH2COCH3' + 'H CO C(=O O) H' @ 2.40E 17* 0.5 ; // 1-0-2-2 HC4ACHO R[MBabs58C]= 'CISHOCH2 CH=C(CH3) CO H' + O3 ----> 'H CO CO H' + 'HO CH2 C(=OO)CH3' @ 2.40E -17 0.5 ; // 1-0-2-2 HC4ACHO R[MBabs59C]= 'H CO C(=OO)H' ----> 'H CO C(=OO)H( 2 )' @KDEC* 0.11 ; // 1-0-2-2 GLYOOC R[MBabs60C]= 'H CO C(=OO)H' ----> OH + HO2 + CO + CO @KDEC* 0.89 ; // 1-0-2-2 GLYOOC //GLYOO R[MBabs61C]= 'H CO C(=OO)H( 2 )' + CO ----> 'H CO CO H' @ 1.2E 15 ; // 1-0-2-2 GLYOO R[MBabs62C]= 'H CO C(=OO)H( 2 )' + H2O ----> 'HOCO CO H' @ 1.0E 17 ; // 1-0-2-2 GLYOO R[MBabs63C]= 'H CO C(=OO)H( 2 )' + NO ----> 'H CO CO H' + N O2 @ 1.0E 14 ; // 1-0-2-2 GLYOO R[MBabs64C]= 'H CO C(=OO)H( 2 )' + H2O ----> 'H CO CO H' + H2O2 @ 6.0E 18 ; // 1-0-2-2 GLYOO R[MBabs65C]= 'H CO C(=OO)H( 2 )' + NO2 ----> 'H CO CO H' + NO3 @ 1.0E 15 ; // 1-0-2-2 GLYOO //1 -0-2-1 R[MBabs61]= 'CISHOCH2 C(CH3)=CH CO O2.' + RO2 ----> 'CISHOCOCH=C(CH3) CH2OH' @ 1.00E 11* 0.3 ; // HC4ACO3 R[MBabs62]= 'CISHOCH2 C(CH3)=CH CO O2.' + RO2 ----> 'HOCH2COCH3' + HO2 + CO @ 1.00E 11* 0.7 ; // HC4ACO3 R[MBabs63]= 'CISHOCOCH=C(CH3) CH2OH' + OH ----> 'HOCH2COCH3' + HO2 + CO @ 2.52E 11 ; // HC4ACO2H R[MBabs64]= 'CISHOCOCH=C(CH3) CH2OH' + CL ----> 'HOCH2COCH3' + HO2 + CO + HCL @ 7.39E 11 ; // ACID R[MBabs65]= 'HOCH2C(CH3)(O2.) CH(O H)COH' + RO2 ---> 'HOCH2C(CH3)(OH) CH(OH) CO H' @ 9.20E 14* 0.3 ; // 1-0-2-1-1 C58O2 R[MBabs66]= 'HOCH2C(CH3)(O2.) CH(OH) COH' + RO2 ----> 'HOCH2C(CH3)(O.) CH(OH) CO H' @ 9.20E 14* 0.7 ; // C58O2 R[MBabs67]= 'HOCH2C(CH3)(O.) CH(OH) CO -H' ----> 'H CO CO H' + 'HO CH2 CO CH3' @KDEC ; // C58O2 // R[MBabs70A]= 'CISHOCH2 C(CH3)=CH CO O2.' + HO2 ----> 'CISHOCOCH=C(CH3) CH2OH' + O3 @KAPHO2* 0.29 ; // HC4ACO3 R[MBabs71A]= 'CISHOCH2 C(CH3)=CH CO O2.' + HO2 ----> 'CISHOO CO CH=C(CH3) CH2OH' @KAPHO2* 0.71 ; // HC4ACO3 R[MBabs72A]= 'CISHOCH2 C(CH3)=CH CO O2.' + NO2 ----> 'CISHOCH2 C(CH3)=CH CO -ONO3' @KFPAN ; // HC4ACO3 R[MBabs73A]= 'CISHOCH2 C(CH3)=CH CO O2.' + NO ----> 'HOCH2COCH3' + HO2 + CO + NO2 @KAPNO ; // HC4ACO3 R[MBabs74A]= 'CISHOCH2 C(CH3)=CH CO O2.' + NO3 ----> 'HOCH2COCH3' + HO2 + CO + NO2 @KRO2NO3* 1.6 ; // HC4ACO3 R[MBabs75A]= 'CISHOO CO CH=C(CH3) CH2OH' + OH ----> 'CISHOCH2 C(CH3)=CH CO O2.' @ 2.88E 11 ; // HC4ACO3H R[MBabs76A]= 'CISHOO CO CH=C(CH3) CH2OH' + CL ----> 'CISHOCH2 C(CH3)=CH CO O2.' + HCL @ 4.4E 11 ; // HC4ACO3H R[MBabs77A]= 'CISHOO CO CH=C(CH3) CH2OH' hv -> 'HOCH2COCH3' + HO2 + CO + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs78A]= 'CISHOCH2 C(CH3)=CH CO -ONO3' ----> 'CISHOCH2 C(CH3)=CH CO O2.' + NO2 @KBPAN ; // C5PAN17 R[MBabs79A]= 'CISHOCH2 C(CH3)=CH CO -ONO3' + OH ----> 'HOCH2C(CH3)(OH) CO H' + NO2 + CO @ 2.52E 11 ; // C5PAN17 R[MBabs80A]= 'CISHOCH2 C(CH3)=C HCO -ONO3' + CL ----> 'HOCH2C(CH3)(CL) CO H' + NO2 + CO @ 1.0E 10 ; // C5PAN17 // R[MBabs80B]= 'HOCH2C(CH3)(CL) CO H' + OH ----> 'HOCH2C(CH3)(CL) CO O2.' @ 3.60E 11 ; // HOIPRCHO R[MBabs81B]= 'HOCH2C(CH3)(CL) CO H' + CL ----> 'H OCH2C(CH3)(CL) CO O2.' + HCL @ 2.2E 11 ; // HOIPRCHO

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R[MBabs82B]= 'HOCH2C(CH3)(CL) CO H' hv -> 'HOCH2C(CL)(O2.) CH3' + CO + HO2 @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) R[MBabs83B]= 'HOCH2C(CH3)(CL) CO H' + NO3 ----> 'HOCH2C(CH3)(CL) -COO2.' + HNO3 @KNO3AL* 4.0 ; // HOIPRCHO // R[MBabs84B]= 'HOCH2C(CH3)(CL) CO O2.' + RO2 ----> 'HO COC(CH3)(CL) CH2OH' @ 1.00E 11* 0.3 ; // HOIPRCO3 R[MBabs85B]= 'HOCH2C(CH3)(CL) CO O2.' + RO2 ----> 'HO CH2 C(CL)(O2.) CH3' @ 1.00E 11* 0.7 ; // HOIPRCO3 R[MBabs86B]= 'HOCH2C(CH3)(CL) CO O2.' + HO2 ----> 'HO COC(CH3)(CL) CH2OH' + O3 @KAPHO2* 0.29 ; // HOIPRCO3 R[MBabs87B]= 'HOCH2C(CH3)(CL) CO O2.' + HO2 ----> 'HOO CO C(CH3)(CL) CH2 OH' @KAPHO2* 0.71 ; // HOIPRCO3 R[MBabs88B]= 'HOCH2C(CH3)(CL) CO O2.' + NO2 ----> 'HO CH2 C(CH3)(CL) CO-ONO3' @KFPAN ; // HOIPRCO3 R[MBabs89B]= 'HOCH2C(CH3)(CL) CO O2.' + NO ----> 'HO CH2 C(CL)(O2.) CH3' + NO2 @KAPNO ; // HOIPRCO3 R[MBabs90B]= 'HOCH2C(CH3)(CL) CO O2.' + NO3 ----> 'HO CH2 C(CL)(O2.) CH3' + NO2 @KRO2NO3* 1.6 ; // HOIPRCO3 // R[MBabs90BB]= 'HOCH2C(CL)(O2.) CH3' + RO2 ----> 'HO CH2 C(CL)(O.) CH3' @ 9.20E 14* 0.7; // HYPROPO2 R [MBabs91B]= 'HOCH2C(CL)(O2.) CH3' + RO2 ----> 'HO CH2 C(CL)(OH) CH3' @ 9.20E 14* 0.3 ; // HYPROPO2 R[MBabs92B]= 'HOCH2C(CL)(O2.) CH3' + HO2 ----> 'HO CH2 C(CL)(OOH) CH3' @KRO2HO2* 0.520 ; // HYPROPO2 R[MBabs93B]= 'HOCH2C(CL)(O2.) CH3' + NO ----> 'HO CH2 C(CL)(O.) CH3' + NO2 @KRO2NO* 0.97 ; // HYPROPO2 R[MBabs94B]= 'HOCH2C(CL)(O2.) CH3' + NO3 ----> 'HO CH2 C(CL)(O.) CH3' + NO2 @KRO2NO3 ; // HYPROPO2 // R[MBabs95B]= 'HOCO C(CH3)(CL) CH2 OH' + OH ----> 'HO CH2 C(CL)(O2.) CH3' @ 1.46E 11 ; // HOIPRCO2H R[MBabs96B]= 'HOCO C(CH3)(CL)CH2 OH' + CL ----> 'HO CH2 C(CL)(O2.) CH3' + HCL @ 6.5E 11 ; // HOIPRCO2H // R[MBabs97B]= 'HOOCOC(CH3)(CL) CH2OH' hv-> 'HOCH2C(CL)(O2.) CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs98B]= 'HOOCOC(CH3)(CL) CH2OH' + OH ---> 'HOCH2C(CH3)(CL) CO O2.' @ 1.82E 11 ; // HOIPRCO3H R[MBabs99B]= 'HOOCOC(CH3)(CL) CH2OH' + CL ---> 'HOCH2C(CH3)(CL) CO O2.' + HCL @ 4.4E 11 ; // HOIPRCO3H // R[MBabs100B]= 'HOCH2C(CH3)(CL) CO -ONO3' + NO2 ----> 'HO CH2 C(CH3)(CL) COO2.' @KBPAN ; // HOIPRCO3 R[MBabs101B]= 'HOCH2C(CH3)(CL) CO -ONO3' + OH ----> 'HO CH2 C(CH3)(CL) COO2.' @ 4.50E 12; // C5PAN15 R[MBabs102B]= 'HOCH2C(CH3)(CL) CO -ONO3' + CL ----> 'HO CH2 CO CL' + 'H CO H' + CO + NO2 @ 1.02E 10; // C5PAN1 5 // R[MBabs103B]= 'HOCH2C(CL)(O.) CH3' ----> 'HCO H' + 'CL CO CH3' + HO2 @ 2.00E+14 *EXP( 6410 /TK); // HYPROPO // R[MBabs104B]= 'HOCH2C(CL)(OH) CH3' + OH ----> 'HCO C(CL)(OH) CH3' + HO2 @ 1.20E 11* 0.387 ; // PROPGLY R[MBabs105B]= 'HOCH2C(CL)(OH) CH3' + CL ----> 'HCO C(CL)(OH) CH3' + HO2 + HCL @ 9.2E 11 0.6 ; // R[MBabs104BB]= 'HO CH2 C(CL)(OH) CH3' + OH ----> 'HO CH2 CO CH3' + HO2 @ 1.20E 11* 0.613 ; // PROPGLY R[MBabs105BB]= 'HO CH2 C(CL)(OH) CH3' + CL ----> 'HO CH2 CO CH3' + HO2 + HCL @ 9.2E 11 0.4 ; // // R[MBabs106B]= 'H CO C(CL)(OH) CH3' + OH ----> 'CO(O2.) C(CL)(OH) CH3' @ 2.65E 11 ; // CH3CHOHCHO R[MBabs107B]= 'H CO C(CL)(OH) CH3' + CL ----> 'CO(O2.) C(CL)(OH) CH3' + HCL @ 1.09E -10 ; // R[MBabs108B]= 'H CO C(CL)(OH) CH3' + NO3 ----> 'CO(O2.) C(CL)(OH) CH3' + HNO3 @KNO3AL* 2.4 ; // CH3CHOHCHO R[MBabs109B]= 'H CO C(CL)(OH) CH3' hv -> 'CL COCH3' + 2 *HO2 + CO @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) // R[MBabs110B] = 'CO(O2.) C(CL)(OH) CH3' + RO2 ----> 'CL COCH3' + HO2 @ 1.0E 11 ; // CH3CHOHCO3 R[MBabs111B]= 'CO(O2.) C(CL)(OH) CH3' + HO2 ----> 'HOO CO C(CL)(OH) CH3' @KAPHO2 ; // CH3CHOHCO3 R[MBabs112B]= 'CO(O2.) C(CL)(OH) CH3' + NO ----> 'CL COCH3' + HO2 + NO2 @KAPNO ; // CH3CHOHCO3 R[MBabs113B]= 'CO(O2.) C(CL)(OH) CH3' + NO3 ----> 'CL COCH3' + HO2 + NO2 @KRO2NO3 ; // CH3CHOHCO3 // R[MBabs114B]= 'HOOCOC(CL)(OH) CH3' + OH ----> 'CO(O2.) C(CL)(OH)CH3' @ 9.34E 12 ; // IPROPOLPER R[MBabs115B]= 'HOOCOC(CL)(OH) CH3' + CL ----> 'CO(O2.) C(CL)(OH)CH3' + HCL @ 4.4E 11 ; // R[MBabs116B]= 'HOOCOC(CL)(OH) CH3' hv -> 'CL COCH3' + HO2 + OH @j[COOH_to_HO2] ; // COOH(j41) // R[MBabs81A]= 'HOCH2C(CH3)(O2.) CH(OH) COH' + NO ----> 'HOCH2C(CH3)(NO3) CH(OH) COH' @KRO2NO* 0.019 ; // 1-0-2-1-1 C58O2 R[MBabs82A]= 'HOCH2C(CH3)(O2.) CH(OH) COH' + NO ----> 'HOCH2C(CH3)(O.) CH(OH) CO H' + NO2 @KRO2NO* 0.981 ; // C58O2 R[MBabs83A]= 'HOCH2C(CH3)(O2.) CH(OH) COH' + NO3 ----> 'HOCH2C(CH3)(O.) CH(OH) CO H' + NO2 @KRO2NO3 ; // C58O2 R[MBabs84A]= 'HOCH2C(CH3)(O2.) CH(OH) COH' + HO2 ----> 'HOCH2C(CH3)(OOH) CH(OH) COH' @KRO2HO2* 0.706 ; // C58O2 R[MBabs85A]= 'HOCH2C(CH3)(NO3) CH(OH) COH' + OH ----> 'H CO CO H' + 'HO CH2 CO CH3' + HO2 + NO2 @ 2.32E 11 ; // C58NO3 R[MBabs86A]= 'HOCH2C(CH3)(NO3) CH(OH) COH' + CL ----> 'H CO CO H' + 'HO CH2 CO CH3' + HO2 + NO2 + HCL @ 8.01E 11 ; // C58NO3 R[MBabs87A]= 'HOCH2C(CH3)(OOH) CH(OH) COH' hv -> 'HOCH2C(CH3)(O.) CH(OH) CO H' + OH @j[COOH_to_HO2] ; // COOH(j41)

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R[MBabs88A]= 'HOCH2C(CH3)(OOH) CH(OH) COH' + OH ----> 'HOCH2C(CH3)(O2.) CH(OH) COH' @ 3.16E 11; // C58OOH R[MBabs89A]= 'HOCH2C(CH3)(OOH) CH(OH) COH' + CL ----> 'HOCH2C(CH3)(O2.) CH(OH) COH' + HCL @ 4.4E 10 ; // C58OOH //1 -0-2-1-1 R[MBabs69]= 'HOCH2C(CH3)(OH) CH(OH) CO H' + OH ----> 'HOCH2C(CH3)(O.) CH(OH) CO H' @ 3.04E 11 ; // C58OH R[MBabs70]= 'HOCH2C(CH3)(OH) CH(OH) -COH' + CL ----> 'HOCH2C(CH3)(O.) CH(OH) CO H' + HCL @ 1.45E 10 ; // R[MBabs71]= 'HOCH2C(CH3)(O.) CH(OH) CO H' ----> 'H CO CO H' + 'HO CH2 CO CH3' @KDEC ; // C58O //1 -0-2-2 R[MBabs73]= 'HOCH2C(CH3)(O2.) CH(CL) COH' + RO2 ----> 'HOCH2C(CH3)(OH) CH(CL) CO H' @ 9.20E 14* 0.3 ; // JENKIN1997 R[MBabs74]= 'HOCH2C(CH3)(O2.) CH(CL) COH' + RO2 ----> 'HOCH2C(CH3)(O.) CH(CL) CO H' @ 9.20E 14* 0.7 ; // JENKIN1997 R[MBabs75]= 'HOCH2C(CH3)(O.) CH(CL) CO H' ----> 'H CO CH(CL)O2.' + 'HO CH2 CO CH3' @ KDEC ; // JENKIN1997 R[MBabs76]= 'HOCH2C(CH3)(OH) CH(CL) CO H' + OH ----> 'HOCH2C(CH3)(O.) CH(CL) CO H' @ 3.04E 11 ; // C58OH R[MBabs77]= 'HOCH2C(CH3)(OH) CH(CL) CO H' + CL ----> 'HOCH2C(CH3)(O.) CH(CL) CO H' + HCL @ 7.52E 11 ; // // R[MBabs90A]= 'HOCH2C(CH3)(O2.) CH(CL) COH' + NO ----> 'HOCH2C(CH3)(NO3) CH(CL) COH' @KRO2NO* 0.019 ; // 1-0-2-1-1 C58O2 R[MBabs91A]= 'HOCH2C(CH3)(O2.) CH(CL) COH' + NO ----> 'HOCH2C(CH3)(O.) CH(CL)CO H' + NO2 @KRO2NO* 0.981 ; // C58O2 R[MBabs92A]= 'HOCH2C(CH3)(O2.) CH(CL) COH' + NO3 ----> 'HOCH2C(CH3)(O.) CH(CL) CO H' + NO2 @KRO2NO3 ; // C58O2 R[MBabs93A]= 'HOCH2C(CH3)(O2.) CH(CL) COH' + HO2 ----> 'HOCH2C(CH3)(OOH) CH(CL) CO-H @KRO2HO2* 0.706 ; // C58O2 R[MBabs94A]= 'HOCH2C(CH3)(NO3) CH(CL) COH' + OH ----> 'H CO CH(CL)O2.' + 'HO CH2 CO CH3' + NO2 @ 2.32E 11 ; // C58NO3 R[MBabs95A]= 'HOCH2C(CH3)(NO3) CH(CL) COH' + CL ----> 'H CO CH(CL)O2.' + 'HO CH2 CO CH3' + NO2 + HCL @ 7.5E 11 ; // C58NO3 R[MBabs96A]= 'HOCH2C(CH3)(OOH) CH(CL) COH' hv -> 'HOCH2 C(CH3)(O.) CH(CL) CO H' + OH @j[COOH_to_HO2] ; //COOH(j41) R[MBabs97A]= 'HOCH2C(CH3)(OOH) CH(CL) COH' + OH ----> 'HOCH2C(CH3)(O2.) CH(CL) COH' @ 3.16E11 ; // C58OOH R[MBabs98A]= 'HOCH2C(CH3)(OOH) CH(CL) COH' + CL ----> 'HOCH2C(CH3)(O2.) CH(CL) COH'+ HCL @ 4.4E 11 ; // C58OOH // R[MBabs99A]= 'HCOCH(CL) O2.' + RO2 ---> 'CL COCOH' @ 8.8E 13 0.2 ; // ATKINSON1997(STOP) R [MBabs100A]= 'HCOCH(CL) O2.' + RO2 ---> 'CL CH(OH) CO H' @ 8.8E 13 0.2 ; // ATKINSON1997 R[MBabs101A]= 'HCOCH(CL) O2.' + RO2 ---> 'HCO CH(CL) O.' @ 8.8E 13 0.6 ; // ATKINSON1997 R[MBabs102A]= 'HCOCH(CL) O2.' + NO --> 'HCO CH(CL) O.' +NO2 @KRO2NO ; // ATKINSON1997 R[MBabs103A]= 'HCOCH(CL) O2.' + NO3 ---> 'HCO CH(CL) O.' +NO2 @KRO2NO3 ; // ATKINSON1997 R[MBabs104A]= 'HCOCH(CL) O2.' + HO2 ---> 'HOO CH(CL)COH' @KRO2HO2* 0.706 ; // ATKINSON1997 R[MBabs105A]= 'HOO CH(CL) COH' hv-> 'HCO CH(CL) O.' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs106A]= 'HOO CH(CL) COH' + OH --> 'HCO CH(CL) O2.' @ 1.90E 12*EXP( 190/TK) ; // HCOCH2OOH R[MBabs107A]= HOOCH(CL) COH' + CL ---> 'HCO CH(CL) O2.' @ 4.4E 11 ; // HCOCH2OOH R[MBabs108A]= 'HOO CH(CL) COH' + OH ---> 'CL COCOH' + OH @ 2.9E 11 ; // HCOCH2OOH R[MBabs109A]= 'HOO CH(CL) COH' + CL ---> 'CL COCOH' + OH + H CL @ 4.4E 11 ; // HCOCH2OOH R[MBabs110A]= 'HOO CH(CL) COH' hv-> 'CL COH' + OH + CO + HO2 @j[HOCH2CHO_to_RO2] ; // HOCH2CHO(J15) // R[MBabs111A]= 'HCOCH(CL) O.' ---> 'CL COH' + CO + HO2 @KDEC ; // ATKINSON1997 R[MBabs112A]= 'CL CH(OH)COH' + OH ---> 'CL CH(OH) CO O2.' @ 6.18E 12 ; // CL2OHCHO R[MBabs113A]= 'CL CH(OH)COH' + CL ---> 'CL CH(OH) CO O2.' + HCL @ 1.18E 11 ; // R[MBabs114A]= 'CL CH(OH)COO2.' + NO2 ---> 'CL CH(OH) CO -ONO3' @KFPAN ; // CL2OHCO3 R[MBabs115A]= 'CL CH(OH)COO2.' + HO2 ---> 'HOO CO CH(CL) OH' @KAPHO2* 0.71 ; // CL2OHCO3 R[MBabs116A]= 'CL CH(OH)COO2.' + RO2 ---> 'CL COH' + HO2 @ 1.0E 11 0.7 ; // CL2OHCO3 R[MBabs117A]= 'CL CH(OH)COO2.' + NO ---> 'CL COH' + HO2 + NO2 @KAPNO ; // CL2OHCO3 R[MBabs118A]= 'CL CH(OH)COO2.' + NO3 ---> 'CL COH' + HO2 + NO2 @KRO2NO3* 1.6 ; // CL2OHCO3 //1 -1 R[MBabs79]= 'HCO CH=C(CH3) CH3' + OH ----> 'H CO CH(OH)C(CH3)(O2.) CH3' @ 4.52E 11* 0.52 ; // 1-1-1 HC4ACHO R[MBabs80]= 'HCO CH=C(CH3) CH3' + OH ----> 'CO(O2.) CH=C(CH3) CH3' @ 4.52E 11* 0.48 ; // 1-1-2 HC4ACHO R[MBabs81]= 'HCO CH=C(CH3) CH3' + CL ----> 'H CO CH(CL)C(CH3)(O2.) CH3' @ 2.11E 10* 0.5 ; // 1-1-1 R[MBabs82]= 'HCO CH=C(CH3) CH3' + CL ----> 'CO(O2.) CH=C(CH3) CH3' + HCL @ 2.11E 10* 0.5 ; // 1-1-1 R[MBabs83]= 'HCO CH=C(CH3) CH3' hv -> 'CO(O2.) CH=C(CH3) CH3' + HO2 @j[MACR_to_Prods] ; // 1-1-1 Macr(j19) R[MBabs84]= 'HCO CH=C(CH3) CH3' hv -> 'HOCH2COCH3' + 2 *HO2 + 2 *CO @j[METHACRO_to_HCHO] ; // METHACRO(j18) // R[MBabs78B]= 'HCO CH=C(CH3) CH3' + O3 ----> 'CH3COCH3' + 'H COC(=OO) H' @ 2.4E 17 0.5 ; // 1-1-1 HC4ACHO R[MBabs79B]= 'HCO CH=C(CH3) CH3' + O3 ----> 'CH3C(=O O) CH3' + 'HCOCO H' @ 2.4E 17 0.5 ; // 1-1-1 HC4ACHO // //1 -1-1

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R[MBabs86]= 'H CO CH(OH)C(CH3)(O2.) CH3' + RO2 ----> 'H CO CH(OH)C(CH3)(OH) CH3' @ 9.20E 14* 0.3 ; // 1-1-1-1 JENKIN 1997 R[MBabs87]= 'H CO CH(OH)C(CH3)(O2.) CH3' + RO2 ----> 'H CO CH(OH)C(CH3)(O.) CH3' @ 9.20E 14* 0.7 ; // JENKIN 1997 R[MBabs88]= 'H CO CH(OH)C(CH3)(O.) CH3' ----> 'H CO CO H' + 'CH3 CO CH3' + HO2 @KDEC ; // R[MBabs89]= 'H CO CH(CL)C(CH3)(O2.) CH3' + RO2 ----> 'CH3C(CH3)(OH) CH(CL)COH' @ 9.20E 14* 0.3 ; // 1-2-2-1 JENKIN 1997 R[MBabs90]= 'H CO CH(CL)C(CH3)(O2.) CH3' + RO2 ----> 'H CO CH(CL)C(CH3)(O.) CH3' @ 9.20E 14* 0.7 ; // JENKIN 1997 R[MBabs91]= 'H CO CH(CL)C(CH3)(O.) CH3' ----> 'H CO CH(CL)O2.' + 'CH3 CO CH3' + HO2 @KDEC ; // // R[MBabs119A]= 'H CO CH(OH)C(CH3)(O2.) CH3' + HO2 ----> 'CH3C(CH3)(OOH) CH(OH) COH' @KRO2HO2* 0.706 ; // R[MBabs120A]= 'H CO CH(OH)C(CH3)(O2.) CH3' + NO ----> 'H CO CH(OH)C(CH3)(O.) CH3' +NO2 @KRO2NO ; // JENKIN 1997 R[MBabs121A]= 'H CO CH(OH)C(CH3)(O2.) CH3' + NO3 ----> 'H CO CH(OH)C(CH3)(O.) CH3' +NO2 @KRO2NO3 ; // JENKIN 1997 R [MBabs122A]= 'CH3C(CH3)(OOH) CH(OH) COH' hv -> 'H CO CH(OH)C(CH3)(O.) CH3'+ OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs123A]= 'CH3C(CH3)(OOH) CH(OH) COH' + OH ----> 'H CO CH(OH)C(CH3)(O2.) CH3' @ 3.16E 11 ; // C58OOH R[MBabs124A]= 'CH3C(CH3)(OOH) CH(OH) COH' + CL ----> 'H CO CH(OH)C(CH3)(O2.) CH3'+ HCL @ 4.4E 11 ; // C5 8OOH // R[MBabs125A]= 'H CO CH(CL)C(CH3)(O2.) CH3' + HO2 ----> 'CH3C(CH3)(OOH) CH(CL) COH' @KRO2HO2* 0.706 ; // R[MBabs126A]= 'H CO CH(CL)C(CH3)(O2.) CH3' + NO ----> 'H CO CH(CL)C(CH3)(O.) CH3' +NO2 @KRO2NO ; // JENKIN 1997 R[MBabs127A]= 'H CO CH(CL)C(CH3)(O2.) CH3' + NO3 ----> 'H CO CH(CL)C(CH3)(O.) CH3' +NO2 @KRO2NO3 ; // JENKIN 1997 R[MBabs128A]= 'CH3C(CH3)(OOH) CH(CL) COH' hv -> 'H CO CH(CL)C(CH3)(O.) CH3'+ OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs129A]= 'CH3C(CH3)(OOH) CH(CL) COH' + OH ----> 'H CO CH(CL)C(CH3)(O2.) CH3' @ 3.16E 11 ; // C58OOH R[MBabs130A]= 'CH3C(CH3)(OOH) CH(CL) COH' + CL ----> 'H CO CH(CL)C(CH3)(O2.) CH3'+ HCL @ 4.4E 11 ; // C58OOH //1 -1-1-1 R[MBabs93]= 'H CO CH(OH)C(CH3)(OH) CH3' + OH ---> 'CO(O2.) CH(OH) C(CH3)(OH) CH3' @ 2.75E 11 ; // MBOBCO R[MBabs94]= 'H CO CH(OH)C(CH3)(OH) CH3' + CL ---> 'CO(O2.) CH(OH) C(CH3)(OH) CH3' + HCL @ 1.35E 10 ; // R[MBabs95]= 'H CO CH(OH)C(CH3)(OH) CH3' hv-> 'H CO C(CH3)(OH) CH3' +CO + 2 *HO2 @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) R[MBabs96]= 'CO(O2.) CH(OH) C(CH3)(OH) CH3' + RO2 ---> 'H CO C(CH3)(OH) CH3' + HO2 @ 1.00E 11 ; // C4OH2CO3 R[MBabs97]= 'H CO C(CH3)(OH) CH3' + OH ---> 'CO(O2.) C(CH3)(OH) CH3' @ 2.20E 11 ; // 1-1-1-1-1 IBUTALOH R[MBabs98]= 'H CO C(CH3)(OH) CH3' + CL ---> 'CO(O2.) C(CH3)(OH) CH3' + HCL @ 1.3E 10 ; // 1-1-1-1-1 R[MBabs99]= 'H CO C(CH3)(OH) CH3' hv-> 'CH3COCH3' + CO+ 2 *HO2 @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) // R[MBabs131A]= 'CO(O2.) CH(OH) C(CH3)(OH) CH3' + NO ----> 'H CO C(CH3)(OH) CH3' + HO2 + NO2 @KAPNO ; // C4OH2CO3 R[MBabs132A]= 'CO(O2.) CH(OH) C(CH3)(OH) CH3' + NO3 ----> 'H CO C(CH3)(OH) CH3' + HO2 + NO2 @KRO2NO3* 1.6 ; // C4OH2CO 3 R[MBabs133A]= 'CO(O2.) CH(OH) C(CH3)(OH) CH3' + NO2 ----> 'NO3-OCO CH(OH)C(CH3)(OH) CH3' @KFPAN ; // C4OH2CO3 R[MBabs134A]= 'CO(O2.) CH(OH) C(CH3)(OH) CH3' + HO2 ----> 'HOOCOCH(OH) C(CH3)(OH) CH3' @KAPHO2 ; // C4OH2CO3 R[MBabs135A]= 'NO3-OCO CH(OH)C(CH3)(OH) CH3' ----> 'CO(O2.) CH(OH) C(CH3)(OH) CH3'+ NO2 @KFPAN ; // C4OH2CO3 R[MBabs136A]= 'NO3-OCO CH(OH)C(CH3)(OH) CH3' + OH ----> 'H CO C(CH3)(OH) CH3' + CO + NO2 @ 7.24E 12 ; // C4OH2CPAN R[MBabs137A]= 'NO3-OCO CH(OH)C(CH3)(OH) CH3' + CL ----> 'H CO C(CH3)(OH) CH3' + CO + NO2+ HCL @ 5.83E 11 ; // C4OH2CPAN R[MBabs138A]= 'HOOCOCH(OH) C(CH3)(OH) CH3' + OH ----> 'CO(O2.) CH(OH) C(CH3)(OH) CH3' @ 1.05E 11 ; // C4OH2CO3H R[MBabs139A]= 'HOOCOCH(OH) C(CH3)(OH) CH3' + CL ----> 'CO(O2.) CH(OH) C(CH3)(OH) CH3'+ HCL @ 4.4E 11 ; // C4OH2CO3H R[MBabs140A]= 'HOOCOCH(OH) C(CH3)(OH) CH3' hv -> 'H CO C(CH3)(OH) CH3' + HO2 + OH @j[COOH_to_HO2] ; // COOH(j41) //1 -1-1-1-1 R[MBabs101]= 'CO(O2.) -C (CH3)(OH) CH3' ----> 'HOCO C(CH3)(OH) CH3' @ 1.00E 11* 0.3 ; // IPRHOCO3 R[MBabs102]= 'CO(O2.) C(CH3)(OH) CH3' ----> 'CH3COCH3' + HO2 @ 1.00E 11* 0.7 ; // IPRHOCO3 R[MBabs103]= 'HOCO C(CH3)(OH) C H3' + OH ----> 'CH3COCH3' + HO2 @ 1.72E 12 ; // IPRHOCO2H R[MBabs104]= 'HOCO C(CH3)(OH) CH3' + CL ----> 'CH3COCH3' + HO2 + HCL @ 5.53E 11 ; // //1 -1-2 R[MBabs106]= 'CO(O2.) CH=C(CH3) CH3' + RO2 ----> 'HOCO CH=C(CH3)CH3' @ 1.00E 11* 0.3 ; // HC4ACO3 R[MBabs107]= 'CO(O2.) CH=C(CH3) CH3' + RO2 ----> 'CH3COCH3' + HO2 + CO @ 1.00E 11* 0.7 ; // HC4ACO3 R[MBabs108]= 'HOCO CH=C(CH3) CH3' + OH ----> 'CH3COCH3' + HO2 + CO @ 2.52E 11 ; // HC4ACO2H R[MBabs109]= 'HOCO CH=C(CH3) CH3' + CL ----> 'CH3COCH3' + HO2 + CO + HCL @ 9.31E 11 ; // // R[MBabs141A]= 'CO(O2.) CH=C(CH3) CH3' + HO2 ----> 'HOCO CH=C(CH3)CH3' +O3 @KAPHO2* 0.29 ; // HC4ACO3 R[MBabs142A]= 'CO(O2.) CH=C(CH3) CH3' + HO2 ----> 'HOOCOCH=C(CH3) CH3' @KAPHO2*0.71 ; // HC4ACO3 R[MBabs143A]= 'CO(O2.) CH=C(CH3) CH3' + NO ----> 'CH3COCH3' + HO2 + CO + NO2 @KAPNO ; // HC4ACO3 R[MBabs144A]= 'CO(O2.) CH=C(CH3) CH3' + NO3 ----> 'CH3COCH3' + HO2 + CO + NO2 @KRO2NO3* 1.6 ; // HC4ACO3 R[MBabs145A]= 'CO(O2.) CH=C(CH3) CH3' + NO2 ----> 'NO3-OCO CH=C(CH3) CH3' @KFPAN ; // HC4ACO3 R[MBabs146A]= 'HOOCOCH=C(CH3) CH3' + OH ----> 'CO(O2.) CH=C(CH3) CH3' @ 2.88E 11 ; // HC4ACO3H

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R[MBabs147A]= 'HOOCOCH=C(CH3) CH3' + CL ----> 'CO(O2.) CH=C(CH3) CH3' + HCL @ 4.4E 11 ; // HC4ACO3H R[MBabs148A]= 'HOOCOCH=C(CH3) CH3' hv -> 'CH3COCH3' + HO2 + CO + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs149A]= 'NO3COCH=C(CH3) CH3' ----> 'CO(O2.) CH=C(CH3) CH3' + NO2 @KBPAN ; // C5PAN17 R[MBabs150A]= 'NO3-OCO CH=C(CH3) CH3' + OH ----> 'H CO C(CH3)(OH) CH3' + NO2 + CO @ 2.52E 11 ; // C5PAN17 R[MBabs151A]= 'NO3-OCO CH=C(CH3) CH3' + CL ----> 'H CO C(CH3)(CL) CH3' + NO2 + CO @ 9.31E 11 ; // // R[MBabs151B]= 'H CO C(CH3)(CL) CH3' + OH ----> 'CO(O2.) C(CH3)(CL) CH3' @ 6.82E 12*EXP( 405/TK) ; // TBUTCHO R[MBabs152B]= 'H CO C(CH3)(CL) CH3' + CL ----> 'CO(O2.) C(CH3)(CL) CH3' + HCL @ 2.05E 11 ; // TBUTCHO R[MBabs153B]= 'H CO C(CH3)(CL) CH3' hv -> 'CH3C(CL)(O2.) CH3' + CO + HO2 @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) R[MBabs154B]= 'H CO C(CH3)(CL) CH3' + NO3 ----> 'CO(O2.) C(CH3)(CL) CH3' + HNO3 @KNO3AL* 8.5 ; // TBUTCHO //1 -2 R[MBabs111]= 'HOCH2CH=C(CH3) CH3' + OH ----> 'HOCH2-C H(OH)C(CH3)(O2.) CH3' @ 1.39E 10* 0.6 ; // ATKINSON 1995 R[MBabs112]= 'HOCH2CH=C(CH3) CH3' + OH ----> 'HOCH2CH(O2.) C(CH3)(OH) CH3' @ 1.39E 10* 0.4 ; // 1-2-1 ATKINSON 1995 R[MBabs113]= 'HOCH2CH=C(CH3) CH3' + CL ----> 'HOCH2CH(CL) C(CH3)(O2.)CH3' @ 4.05E 10* 0.5 ; // 1-2-2 CL-= R[MBabs114]= 'HOCH2CH=C(CH3) CH3' + CL ----> 'HOCH2CH(O2.) C(CH3)(CL) CH3' @ 4.05E 10* 0.5 ; // 1-2-3 CL-= R[MBabs115]= 'HOCH2CH(OH) C(CH3)(O2.) CH3' + RO2 ----> 'HOCH2CH(OH) C(CH3)(O.) CH3' @ 9.2E 14 0.7 ; // 1-2-1 JENKIN 1997 R[MBabs116]= 'HOCH2CH(OH) C(CH3)(O2.) CH3' + RO2 ----> 'HOCH2CH(OH) C(CH3)(OH) CH3' @ 9.2E 14 0.3 ; // 1-3-1 JENKIN 1997 // R[MBabs111BB]= 'HOCH2CH=C(CH3) CH3' + O3 ----> 'CH3COCH3' + 'HO CH2C(=O O) -H' @ 6.51E 15*EXP( 829/TK)*0.50 ; // MB R[MBabs112BB]= 'HOCH2CH=C(CH3) CH3' + O3 ----> 'CH3C(=O O) CH3' + 'HO CH2 CO H' @ 6.51E 15*EXP( 829/TK)*0.50 ; // MB // R[MBabs152A]= 'HOCH2CH(OH) C(CH3)(O2.) CH3' + NO ----> 'HOCH2CH(OH) C(CH3)(NO3) CH3' @KRO2NO* 0.019 ; // R[MBabs153A]= 'HOCH2CH(OH) C(CH3)(O2.) CH3' + NO ---> 'HOCH2CH(OH) C(CH3)(O.) CH3' + NO2 @KRO2NO* 0.981 ; // R[MBabs154A]= 'HOCH2CH(OH) C(CH3)(O2.) CH3' + NO3 ----> 'HOCH2CH(OH) C(CH3)(O.) CH3' + NO2 @KRO2NO3 ; // R[MBabs155A]= 'HOCH2CH(OH) C(CH3)(O2.) CH3' + HO2 ----> 'CH3C(CH3)(OOH) CH(OH) CH2 OH' @KRO2HO2* 0.706 ; // R[MBabs156A]= 'HOCH2CH(OH) C(CH3)(NO3) CH3' + OH ----> 'HOCH2COH' + 'CH3 CO CH3' + HO2 + NO2 @ 2.32E 11 ; // R[MBabs157A]= 'HOCH2CH(OH) C(CH3)(NO3) CH3' + CL ----> 'HOCH2COH' + 'CH3 CO CH3' + HO2 + NO2 + HCL @ 3.75E 11 ; // R[MBabs158A]= 'CH3C(CH3)(OOH) CH(OH) CH2 OH' + OH ----> 'HOCH2CH(OH) C(CH3)(O2.) CH3' @ 3.16E 11 ; // R[MBabs159A]= 'CH3-C (CH3)(OOH) CH(OH) CH2 OH' + CL ----> 'HOCH2CH(OH) C(CH3)(O2.) CH3' + HCL @ 4.4E 11 ; // R[MBabs160A]= 'CH3C(CH3)(OOH) CH(OH) CH2 OH' hv -> 'HOCH2CH(OH) C(CH3)(O.) CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) //1 -2-1 R[MBabs118]= 'HOCH2CH(OH) C(CH3)(O.) CH3' ----> 'HOCH2COH' + 'CH3 CO CH3' + HO2 @KDEC ; // R[MBabs119]= 'HOCH2CH(O2.) C(CH3)(OH) CH3' + RO2 ---> 'HOCH2CH(OH) C(CH3)(OH) CH3' @ 8.8E 13 0.2 ; // 1-3-1 JENKIN 1997 R[MBabs120]= 'HOCH2CH(O2.) C(CH3)(OH) CH3' + RO2 ----> 'HOCH2COC(CH3)(OH) CH3' @ 8.8E 13 0.2 ; // 1-3-1 JENKIN 1997 R[MBabs121]= 'HOCH2CH(O2.) C(CH3)(OH) CH3' + RO2 ----> 'HOCH2CH(O.) C(CH3)(OH) CH3' @ 8.8E 13 0.6 ; // R[MBabs122]= 'HOCH2CH(O.) C(CH3)(OH) CH3' ----> 'HOCH2COH' + 'CH3 CO CH3' + HO2 @KDEC ; // // R[MBabs161A]= 'HOCH2CH(O2.) C(CH3)(OH) CH3' + NO ----> 'HOCH2CH(O.) C(CH3)(OH) CH3' + NO2 @KRO2NO ; // R[MBabs161B]= 'HOCH2CH(O2.) C(CH3)(OH) CH3' + NO3 ----> 'HOCH2CH(O.) C(CH3)(OH) CH3' + NO2 @KRO2NO3 ; // R[MBabs161C]= 'HOCH2CH(O2.) C(CH3)(OH) CH3' + HO2 ----> 'HOCH2CH(OOH) C(CH3)(OH) CH3' @KRO2HO2* 0.706 ; // R[MBabs161D]= 'HOCH2CH(OOH) C(CH3)(OH) CH3' + OH ----> 'HOCH2CH(O2.) C(CH3)(OH)CH3' @ 3.16E 11 ; // R[MBabs161E]= 'HOCH2CH(OOH) C(CH3)(OH) CH3' + CL ----> 'HOCH2CH(O2.) C(CH3)(OH) CH3' + HCL @ 4.4E 11 ; // R[MBabs161F]= 'HOCH2CH(OOH) C(CH3)(OH) CH3' hv -> 'HOCH2CH(O.) C(CH3)(OH) C H3' + OH @j[COOH_to_HO2]; / /COOH(j41) //1 -2-2 R[MBabs124]= 'HOCH2CH(CL) C(CH3)(O2.) CH3' + RO2 ----> 'HOCH2CH(CL) C(CH3)(OH) CH3' @ 9.2E 14 0.3 ; // 1-2-2-1 JENKIN 1997 R[MBabs125]= 'HOCH2CH(CL) C(CH3)(O2.) CH3' + RO2 ----> 'HOCH2CH(CL) C(CH3)(O.) CH3' @ 9.2E 14 0.7 ; // JENKIN 1997 R[MBabs126]= 'HOCH2CH(CL) C(CH3)(O.) CH3' ----> 'HOCH2CH(CL) O2.' + 'CH3 COCH3' @KDEC ; // R[MBabs127]= 'HOCH2CH(CL) O2.' + RO2 ----> 'HOCH2CH(CL) OH' @ 8.80E 13* 0.2; // JENKIN 1997 R[MBabs128]= 'HOCH2CH(CL) O2.' + RO2 ----> 'HOCH2COCL' @ 8.80E 13* 0.2; // JENKIN 1997 R[MBabs129]= 'HOCH2CH(CL) O2.' + RO2 ----> 'HOCH2CH(CL) O.' @ 8.80E 13* 0.6; // JENKIN 1997 R[MBabs130]= 'HOCH2CH(CL) O.' ----> 'H CO H' + 'CL COH' + HO2 @KDEC ; // //

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R[MBabs162A]= 'HOCH2CH(CL) C(CH3)(O2.) CH3' + NO ----> 'HOCH2CH(CL) C(CH3)(NO3) CH3' @KRO2NO* 0.019 ; // R[MBabs163A]= 'HOCH2CH(CL) C(CH3)(O2.) CH3' + NO ----> 'HOCH2CH(CL) C(CH3)(O.) CH3' + NO2 @KRO2NO* 0.981 ; // R[MBabs164A]= 'HOCH2CH(CL) C(CH3)(O2.) CH3' + NO3 ----> 'HOCH2CH(CL) C(CH3)(O.) CH3' + NO2 @KRO2NO3 ; // R[MBabs165A]= 'HOCH2CH(CL) C(CH3)(O2.) CH3' + HO2 ----> 'CH3C(CH3)(OOH) CH(CL) CH2 OH' @KRO2HO2*0.706 ; // R[MBabs166A]= 'HOCH2CH(CL) C(CH3)(NO3) CH3' + OH ----> 'HOCH2CH(CL) O2.' + 'CH3 COCH3' + NO2 @ 2.32E 11 ; // R[MBabs167A]= 'HOCH2CH(CL) C(CH3)(NO3) CH3' + CL ----> 'HOCH2CH(CL) O2.' + 'CH3 COCH3' + NO2 + HCL @ 4.64E 12 ; // R[MBabs168A]= 'CH3C(CH3)(OOH) CH(CL) CH2 OH' + OH ----> 'HOCH2CH(CL) C(CH3)(O2.) CH3' @ 3.16E 11 ; // R[MBabs169A]= 'CH3C(CH3)(OOH) CH(CL) CH2 OH' + CL ----> 'HOCH2CH(CL) C(CH3)(O2.) CH3' + HCL @ 4.4E 11 ; // R[MBabs170A]= 'CH3C(CH3)(OOH) CH(CL) CH2 OH' hv -> 'HOCH2CH(CL) C(CH3)(O.) CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) // R[MBabs171A]= 'HOCH2CH(CL) O2.' + NO ----> 'HOCH2CH(CL) O.' + NO2 @ KRO2NO ; // JENKIN 1997 R[MBabs172A]= 'HOCH2CH(CL) O2.' + NO3 ----> 'HOCH2CH(CL) O.' + NO2 @ KRO2NO3 ; // JENKIN 1997 R[MBabs173A]= 'HOCH2CH(CL) O2.' + HO2 ----> 'HOOCH(CL) CH2 OH' @KRO2HO2* 0.706 ; // JENKIN 1997 R[MBabs174A]= 'HOOCH(CL) CH2 OH' + OH ----> 'HOCH2CH(CL) O2.' @ 3 .16E11; // JENKIN 1997 R[MBabs175A]= 'HOOCH(CL) CH2 OH' + CL ----> 'HOCH2CH(CL) O2.' + HCL @ 4.4E 11 ; // JENKIN 1997 R[MBabs176A]= 'HOOCH(CL) CH2 OH' hv -> 'HOCH2CH(CL) O.' + OH @j[COOH_to_HO2] ; // COOH(j41) //1 -2-2-1 R[MBabs132]= 'HOCH2CH(CL) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CH(CL)COH' @ 1.18E 12 ; // ATKINSON 1995 R[MBabs133]= 'HOCH2CH(CL) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CH(CL)COH' + HCL @ 6.44E 11 ; // ATKINSON 1997 R[MBabs134]= 'CH3C(CH3)(OH) CH(CL)COH' + OH ----> 'CH3C(CH3)(OH) CH(CL)COO2.' @ 6.41E 12 ; // ATKINSON 1995 R[MBabs135]= 'CH3C(CH3)(OH) CH(CL)COH' + CL ----> 'CH3C(CH3)(OH) CH(CL)COO2.' + HCL @ 6.79E 11 ; // R[MBabs136]= 'CH3C(CH3)(OH) CH(CL)COO2.' + RO2 ----> 'HOCO CH(CL) C(CH3)(OH) CH3' @ 1.00E 11* 0.3 ; // C4OH2CO3 R[MBabs137]= 'CH3C(CH3)(OH) CH(CL)COO2.' + RO2 ----> 'CH3C(CH3)(OH) CH(CL)O2.' @ 1.00E 11* 0.7 ; // C4OH2CO3 R[MBabs138]= 'HOCO CH(CL) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CH(CL)O2.' @ 1.41E 11 ; // HO2C4CO2H R[MBabs139]= 'HOCO CH(CL) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CH(CL)O2.' + HCL @ 5.50E 11 ; // 1-2-2-1-1 // R[MBabs177A]= 'CH3C(CH3)(OH) CH(CL)COO2.' + NO ----> 'CH3C(CH3)(OH) CH(CL)O2.' + NO2 @KAPNO ; // C4OH2CO3 R[MBabs178A]= 'CH3C(CH3)(OH) CH(CL)COO2.' + NO3 ----> 'CH3C(CH3)(OH) CH(CL)O2.' + NO2 @KRO2NO3* 1.6 ; // C4OH2CO3 R[MBabs179A]= 'CH3C(CH3)(OH) CH(CL)COO2.' + NO2 ----> 'CH3C(CH3)(OH) CH(CL)CO-ONO3' @KFPAN ; // C4OH2CO3 R[MBabs180A]= 'CH3C(CH3)(OH) CH(CL)COO2.' + HO2 ----> 'HOOCOCH(CL) C(CH3)(OH) CH3' @KAPHO2 ; // C4OH2CO3 R[MBabs181A]= 'CH3C(CH3)(OH) CH(CL)CO-ONO3' ----> 'CO(O2.) CH(OH) C(CH3)(OH) CH3'+ NO2 @KFPAN ; // C4OH2CO3 R[MBabs182A]= 'CH3C(CH3)(OH) CH(CL)CO-ONO3' + OH ---> 'CH3C(CH3)(OH) CH(CL)O2.' + CO + NO2 @ 7.24E 12 ; // C4OH2CPAN R[MBabs183A]= 'CH3C(CH3)(OH) CH(CL)CO-ONO3' + CL ----> 'CH3C(CH3)(OH) CH(CL)O2.' + CO + NO2 + HCL @ 5.83E 11 ; // C4OH2CPAN R[MBabs184A]= 'HOOCOCH(CL) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CH(CL)COO2.' @ 1.05E 11 ; // C4OH2CO3H R[MBabs185A]= 'HOOCOCH(CL) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CH(CL)COO2.' + HCL @ 4.4E 11 ; // C4OH2CO3H R[MBabs186A]= 'HOOCOCH(CL) C(CH3)(OH) CH3' hv -> 'CH3C(CH3)(OH) CH(CL)O.' + OH @j[COOH_to_HO2] ; // COOH(j41) //1 -2-2-1-1 R[MBabs141]= 'CH3C(CH3)(OH) CH(CL)O2.' + RO2 ----> 'HOCH(CL) C(CH3)(OH) CH3' @ 8.8E 13 0.2 ; // JENKIIN 1997 R[MBabs142]= 'CH3C(CH3)(OH) CH(CL)O2.' + RO2 ----> 'CLCO C(CH3)(OH) CH3' @ 8.8E 13 0.2 ; // JENKIIN 1997 R[MBabs143]= 'CH3C(CH3)(OH) CH(CL)O2.' + RO2 ----> 'CLCH(O.) C(CH3)(OH) CH3' @ 8.8E 13 0.6 ; // JEN KIIN 1997 R[MBabs144]= 'CLCH(O.) C(CH3)(OH) CH3' ----> 'CLCO H' + 'CH3 CO CH3' +HO2 @KDEC ; // JENKIIN 1997 R[MBabs145]= 'HOCH(CL) C(CH3)(OH) CH3' +OH ----> 'CLCO C(CH3)(OH) CH3' + HO2 @ 3.17E 12 ; // ATKINSON1995 R[MBabs146]= 'HO-C H(CL) C(CH3)(OH) CH3' +CL ----> 'CLCO C(CH3)(OH) CH3' + HO2 + HCL @ 5.74E 11 ; // ATKINSON1997 // R[MBabs187A]= 'CH3C(CH3)(OH) CH(CL)O2.' + NO ----> 'CLCH(O.) C(CH3)(OH) CH3' + NO2 @KRO2NO ; // JENKIIN 1997 R[MBabs188A]= 'CH3C(CH3)(OH) CH(CL) O2.' + NO3 ----> 'CLCH(O.) C(CH3)(OH) CH3' + NO2 @KRO2NO3 ; // JENKIIN 1997 R[MBabs189A]= 'CH3C(CH3)(OH) CH(CL)O2.' + HO2 ----> 'HOOCH(CL) C(CH3)(OH) CH3' @KRO2HO2* 0.706 ; // JENKIIN 1997 R[MBabs190A]= 'HOOCH(CL) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CH(CL)O2.' @ 3.16E 11 ; // JENKIIN 1997 R[MBabs191A]= 'HOOCH(CL) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CH(CL)O2.' + HCL @ 4.4E 11 ; // JENKIIN 1997 R[MBabs192A]= 'HOOCH(CL) C(CH3)(OH) CH3' hv -> 'CH3C(CH3)(OH) CH(CL)O.' + OH @j[COOH_to_HO2] ; // COOH(j41) //1 -2-3 R[MBabs148]= 'HOCH2CH(O2.) C(CH3)(CL) CH3' + RO2 ----> 'HOCH2CH(OH) C(CH3)(CL) CH3' @ 8.8E 13 0.2 ; // 1-2-3-1 JENKIN 1997 R[MBabs149]= 'HOCH2CH(O2.) C(CH3)(CL)CH3' + RO2 ----> 'HOCH2COC(CH3)(CL) CH3' @ 8 .8E 13 0.2 ; // 1-2-3-1 JENKIN 1997 R[MBabs150]= 'HOCH2CH(O2.) C(CH3)(CL) CH3' + RO2 ----> 'HOCH2CH(O.) C(CH3)(CL) CH3' @ 8.8E 13 0.6 ; // JENKIN 1997

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R[MBabs151]= 'HOCH2CH(O.) C(CH3)(CL )CH3' ----> 'HOCH2COH' + 'CH3 C(CL)(O2.) CH3' @KDEC ; // R[MBabs152]= 'CH3C(CL)(O2.) CH3' + RO2 ----> 'CH3COCH3' + CL @ 9.20E 13* 0.70 ; // JENKIN 1997 R[MBabs153]= 'CH3C(CL)(O2.) CH3' + RO2 ----> 'CH3C(CL)(OH) CH3' @ 9.20E 13* 0.70 ; // JENKIN 1997 // R[MBabs193A]= 'HOCH2CH(O2.) C(CH3)(CL) CH3' + NO ----> 'HOCH2CH(O.) C(CH3)(CL) CH3' + NO2 @KRO2NO ; // JENKIN 1997 R[MBabs194A]= 'HOCH2CH(O2.) C(CH3)(CL) CH3' + NO3 ----> 'HOCH2CH(O.) C(CH3)(CL) CH3' + NO2 @KRO2NO3 ; // JENKIN 1997 R[MBabs195A]= 'HOCH2CH(O2.) C(CH3)(CL) CH3' + HO2 ----> 'HOCH2CH(OOH) C(CH3)(CL) CH3' @KRO2HO2* 0.706 ; // JENKIN 1997 R[MBabs196A]= 'HOCH2CH(OOH) C(CH3)(CL) CH3' + OH ----> 'HOCH2CH(O2.) C(CH3)(CL) CH3' @ 3.16E 11 ; // JENKIN 1997 R[MBabs197A]= 'HOCH2CH(OOH) C(CH3)(CL) CH3' + CL ----> 'HOCH2CH(O2.) C(CH3)(CL) CH3' + HCL @ 4.4E 11 ; // JENKIN 1997 R[MBabs198A]= 'HOCH2CH(OOH) C(CH3)(CL) CH3' ----> 'HOCH2CH(O.) C(CH3)(CL) CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) // R[MBabs199A]= 'CH3C(CL)(O2.) CH3' + NO ----> 'CH3COCH3' + CL + NO2 @KRO2NO ; // JENKIN 1997 R[MBabs200A]= 'CH3C(CL)(O2.) CH3' + NO3 ----> 'CH3COCH3' + CL + NO2 @KRO2NO3 ; // JENKIN 1997 R [MBabs201A]= 'CH3C(CL)(O2.) CH3' + HO2 ----> 'CH3C(CL)(OOH) CH3' @KRO2HO2* 0.706 ; // JENKIN 1997 R[MBabs202A]= 'CH3C(CL)(OOH) CH3' + OH ----> 'CH3C(CL)(O2.) CH3' @ 3.16E 11 ; // JENKIN 1997 R[MBabs203A]= 'CH3C(CL)(OOH) CH3' + CL ----> 'CH3C(CL)(O2.) CH3' + HCL @ 9.12E 11 ; // JENKIN 1997 R[MBabs204A]= 'CH3C(CL)(OOH) CH3' hv -> 'CH3COCH3' + CL + OH @j[COOH_to_HO2] ; // COOH(j41) //1 -2-3-1 R[MBabs155]= 'HOCH2CH(OH) C(CH3)(CL) CH3' + OH ----> 'HOCH2COC(CH3)(CL) CH3' + HO2 @ 1.51E 11; // MBOAOH R[MBabs156]= 'HOCH2CH(OH) C(CH3)(CL) CH3' + CL ----> 'HOCH2COC(CH3)(CL) CH3' + HO2 + HCL @ 4.95E 11; // JENKIIN 1997 R[MBabs157]= 'HOCH2COC(CH3)(CL) CH3' + OH ----> 'H CO CO C(CH3)(CL) CH3' @ 3.79E 12; // MBOACO R[MBabs158]= 'HOCH2COC(CH3)(CL) CH3' + CL ----> 'H CO CO C(CH3)(CL) CH3' +HCL @ 1.15E 11; // JENKIIN 1997 R[MBabs159]= 'HOCH2COC(CH3)(CL) CH3' hv -> 'CO(O2.) -C (CH3)(CL) CH3' + 'H COH' + HO2 @j[HOCH2COCH3_to_CH3CO]; //OHAcetone(j22) R[MBabs160]= 'H CO CO C(CH3)(CL) CH3' + OH ----> 'CO(O2.) C(CH3)(CL) CH3' + 'HCOH' + HO2 @ 1.38E 11; // MBOCOCO R[MBabs161]= 'H CO CO C(CH3)(CL) CH3' + CL ----> 'CO(O2.) C(CH3)(CL) CH3' + 'HCO-H + HO2 + HCL @ 1.44E 11 ; // R[MBabs162]= 'H CO CO C(CH3)(CL) CH3' hv -> 'CO(O2.) C(CH3)(CL) CH3' + CO + HO2 @j[MGLY_to_HO2] ; //MGLYOX(J34) R[MBabs163]= 'CO(O2.) C(CH3)(CL) CH3' + RO2 ----> 'CH3C(CL)(O2.) CH3' @ 1.00E 11* 0.7 ; // IPRHOCO3 R[MBabs164]= 'CO(O2.) C(CH3)(CL) CH3' + RO2 ----> 'HOCO C(CH3)(CL) CH3' @ 1.00E 11* 0.3 ; // IPRHOCO3 R[MBabs165]= 'HOCO C(CH3)(CL) CH3' + OH ----> 'CH3C(CL)(O2.) CH3' @ 1.72E 12 ; // IPRHOCO2H R[MBabs166]= 'HOCO C(CH3)(CL)CH3' + CL ----> 'CH3C(CL)(O2.) CH3' + HCL @ 8.68E 12 ; // // R[MBabs205A]= 'CO(O2.) C(CH3)(CL) CH3' + NO2 ---> 'NO3-OCO C(CH3)(CL) CH3' @KFPAN ; // IPRCO3 R[MBabs206A]= 'CO(O2.) C(CH3)(CL) CH3' + HO2 ---> 'HOOCOC(CH3)(CL) CH3' @KAPHO2* 0.71 ; // IPRCO3 R[MBabs207A]= 'CO(O2.) C(CH3)(CL) CH3' + HO2 ---> 'HOCO C(CH3)(CL) CH3' + O3 @KAPHO2* 0.29 ; // IPRCO3 R[MBabs208A]= 'CO(O2.) C(CH3)(CL) CH3' + NO ---> 'CH3C(CL)(O2.) CH3' + NO2 @KAPNO ; // IPRCO3 R[MBabs209A]= 'CO(O2.) C(CH3)(CL) CH3' + NO3 ---> 'CH3C(CL)(O2.) CH3' + NO2 @KRO2NO3* 1.6 ; // IPRCO3 R[MBabs210A]= 'NO3-OCO C(CH3)(CL) CH3' ---> 'CO(O2.) C(CH3)(CL) CH3' + NO2 @KBPAN ; // PIPN R[MBabs211A]= 'NO3-OCO C(CH3)(CL) CH3' +OH ---> 'CO(O2.) C(CH3)(CL) CH3' + NO2 @ 2.66E 12 ; // PIPN R[MBabs212A]= 'NO3-OCO C(CH3)(CL) CH3' +CL ---> 'CO(O2.) C(CH3)(CL) CH3' + NO2 + HCL @ 8.68E 12 ; // PIPN R[MBabs213A]= 'CO(O2.) C(CH3)(CL) CH3' hv-> 'CH3C(CL)(O2.) CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs214A]= 'HOOCOC(CH3)(CL) CH3' + OH ---> 'CO(O2.) C(CH3)(CL) CH3' @ 6.26E 12; //PERIBUACID R[MBabs215A]= 'HOOCOC(CH3)(CL) CH3' + CL ---> 'CO(O2.) C(CH3)(CL) CH3' + HCL @ 4.4E 11 ; //PERIBUACID //1 -3 R[MBabs167]= 'CH2=CH C(CH3)(O.) CH3' ----> 'CH3COCH3' + CO @ 2.00E+14 *EXP( 6995 /TK)* 0.6 ; // IPECO R[MBabs168]= 'CH2=CH C(CH3)(O.) CH3' ----> 'CH3COCH=CH2' + 'H COH' @ 2.00E+14 *EXP( 6995 /TK)* 0.4 ; // IPECO R[MBabs169]= 'CH3C(CH3)(OH) CH=CH2' + OH ----> 'HOCH2CH(O2.) C(CH3)(OH) CH3' @ 6.9E 11 0.67 ; // MBO R[MBabs170]= 'CH3C(CH3)(OH) CH=CH2' + CL ----> 'CH3C(CH3)(OH) CH(O2.) CH2 CL' @ 2.71E 10* 0.5 ; // 1-3-2 R[MBabs171]= 'CH3C(CH3)(OH) CH=CH2' + OH ----> 'CH2(O2.) CH(OH)C(CH3)(OH) CH3' @ 6.9E 11 0.33 ; // MBO R[MBabs172C]= 'CH3C(CH3)(OH) CH=CH2' + CL ----> 'CH3C(CH3)(OH) CH(CL)CH2 O2.' @ 2.71E 10* 0.5 ; // 1-3-2 R[MBabs173C]= 'CH3C(CH3)(OH) CH=CH2' + NO3 ----> 'CH3C(CH3)(OH) CH(O2.) CH2 NO3.' @ 1.4E 15 0.65 ; // MBO R[MBabs174C]= 'CH3C(CH3)(OH) CH=CH2' + NO3 ----> 'CH3C(CH3)(OH) CH(NO3) CH2 O2.' @ 2.0E 10 0.35 ; // MBO //MVK R[MBabs167D]= 'CH3COCH=CH2' hv -> 'CH2=CH CH3' + CO @j[MVK_to_MARCO3] ; //MVK_MARCO3.CQY(j23) R[MBabs168D]= 'CH3COCH=CH2' hv -> 'CO(O2.) CH3' + 'H CO H' + CO + HO2 @j[MVK_to_MARCO3] ; //MVK_MARCO3.CQY(j24) R[MBabs169D]= 'CH3COCH=CH2' + OH ----> 'CH2(O2.) CH(OH)CO CH3' @ 4.13E -12 *EXP( 452/TK)* 0.3; //MVK R[MBabs170D]= 'CH3COCH=CH2' + CL ----> 'CH3COCH(CL) CH2 O2.' @ 2.15E 10* 0.5; //2003ORL/TYN334 353

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R[MBabs171D]= 'CH3COCH=CH2' + OH ----> 'HOCH2CH(O2.) CO CH3' @ 4.13E 12*EXP( 452/TK)* 0.7; //MVK R[MBabs172D]= 'CH3COCH=CH2' + CL ----> 'CH3COCH(O2.) CH2CL' @ 2.15E 10* 0.5; // R[MBabs173D]= 'CH3COCH=CH2' + O3 ----> 'H CO -CCH3' + 'HC(=O O) H' @ 7.51E 16*EXP( 1521 /TK)* 0.5; //MVK R[MBabs174D]= 'CH3COCH=CH2' + O3 ----> 'H C(=OO)COCH3' + 'H COH' @ 7.51E 16*EXP( 1521 /TK)* 0.5; //MVK //C3H6 R[MBabs175D]= 'CH2=CH CH3' + OH ----> 'HOCH2CH(O2.) CH3' @KMT16* 0.87 ; R[MBabs176D]= 'CH2=CH CH3' + OH ----> 'CH2(O2.) CH(OH)CH3' @KMT16* 0 .13; R[MBabs177D]= 'CH2=CH CH3' + CL ----> 'CLCH2CH(O2.) CH3' @ 2.5E 10 0.5 ; // PITTS R[MBabs178D]= 'CH2=CH CH3' + CL ----> 'CH2(O2.) CH(CL)CH3' @ 2.5E 10 0.5 ; // R[MBabs179D]= 'CH2=CH CH3' + O3 ----> 'H C(=OO)CH3' + 'H CO H' @ 5 .51E 15*EXP( 1878 /TK)* 0.5 ; R[MBabs180D]= 'CH2=CH CH3' + O3 ----> 'H C(=OO)H' + 'H CO CH3' @ 5.51E 15*EXP( 1878 /TK)* 0.5 ; R[MBabs181D]= 'CH2=CH CH3' + NO3 ----> 'CH2(NO3)-CH(O2.) CH3' @ 9.40E 15* 0.65; R[MBabs182D]= 'CH2=CH CH3' + NO3 ----> 'CH2(O2.)-CH(NO3) CH3' @ 9.40E 15* 0.35; //HYPROPO2 R[MBabs183D]= 'HOCH2CH(O2.) CH3' + RO2 ----> 'HOCH2COCH3' @ 8.8E 13 0.2 ; R[MBabs184D]= 'HOCH2CH(O2.) CH3' + RO2 ----> 'HOCH2CH(OH) CH3' @ 8.8E 13 0.2 ; R[MBabs185D]= 'HOCH2CH(O2.) CH3' + RO2 ----> 'HOCH2CH(O.) CH3' @ 8.8E 13 0.6 ; R[MBabs186D]= 'HOCH2CH(O2.) CH3' + NO ----> 'HOCH2CH(O.) CH3' + NO2 @KRO2NO* 0.977 ; R[MBabs187D]= 'HOCH2CH(O2.) CH3' + HO2 ----> 'HOCH2CH(OOH) CH3' @KRO2HO2* 0.52 ; R[MBabs188D]= 'HOCH2CH(O2.) CH3' + NO3 ----> 'HOCH2CH(O.) CH3' + NO2 @KRO2NO3; //PROPGLY R[MBabs190D]= 'HOCH2CH(OH) CH3' + OH ----> 'H CO CH(OH)CH3' + HO2 @ 1.2E 11 0.387 ; R[MBabs191D]= 'HOCH2CH(OH) CH3' + OH ----> 'HOCH2COCH3' + HO2 @ 1.2E 11 0.613 ; R[MBabs192D]= 'HOCH2CH(OH) CH3' + CL ----> 'H CO CH(OH)CH3' + HO2 + HCL @ 9.25E 11* 0.5; R[MBabs193D]= 'HOCH2CH(OH) CH3' + CL ----> 'HOCH2COCH3' + HO2 + HCL @ 9.25E 11* 0.5; //CH3CHOHCHO R[MBabs194D]= 'H CO CH(OH)CH3' + OH ----> 'CO(O2.) CH(OH) CH3' @ 2.65E 11; R[MBabs195D]= 'H CO CH(OH)CH3' + CL ----> 'CO(O2.) CH(OH) CH3' + HCL @ 1.29E 10; R[MBabs196D]= 'H CO CH(OH)CH3' + NO3 ----> 'CO(O2.) CH(OH) CH3' +HNO3 @KNO3AL* 2.4; R[MBabs197D]= 'H CO CH(OH)CH3' hv -> 'H CO CH3' + 2 *HO2 + CO @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) //CH3CHOHCO3 R[MBabs198D]= 'CO(O2.) CH(OH) CH3' + RO2 ----> 'H CO CH3' + HO 2 @ 1.00E 11; R[MBabs199D]= 'CO(O2.) CH(OH) CH3' + HO2 ----> 'HOOCOCH(OH) CH3' @ KAPHO2; R[MBabs200D]= 'CO(O2.) CH(OH) CH3' + NO2 ----> 'NO3-OCO CH(OH)CH3' @KFPAN; R[MBabs201D]= 'CO(O2.) CH(OH) CH3' + NO ----> 'H CO CH 3' + HO2 + NO2 @KAPNO; R[MBabs202D]= 'CO(O2.) CH(OH) CH3' + NO3 ----> 'H CO CH3' + HO2 + NO2 @KRO2NO3* 1.6 ; //IPROPOLPER R[MBabs203D]= 'HOOCOCH(OH) CH3' + OH ----> 'CO(O2.) CH(OH) CH3' @ 9.34E 12; R[MBabs204D]= 'HOOCOCH(OH) CH3' + CL ----> 'CO(O2.) CH(OH) CH3' + HCL @ 4.4E 11 ; R[MBabs205D]= 'HOOCOCH(OH) CH3' hv -> 'H CO CH3' + HO2 + OH @j[COOH_to_HO2]; //COOH(j41) //IPROPOLPAN R[MBabs206D]= 'NO3-OCO CH(OH)CH3' ----> 'CO(O2.) CH(OH) CH3' + NO2 @KBPAN; R[MBabs207D]= 'NO3-OCO CH(OH)CH3' + OH ----> 'H CO CH3' +CO + NO2 @ 2.34E 12; R[MBabs208D]= 'NO3-OCO CH(OH)CH3' + CL ----> 'H CO CH3' +CO + NO2 + HCL @ 2.77E 11; //HYPROPO R[MBabs209D]= 'HOCH2CH(O.) CH3' ----> 'HCO CH3' + 'H CO H'+ HO2 @ 2.00E+14 *EXP( 6410 /TK); //HYPROPO2H R[MBabs210D]= 'HOCH2CH(OOH) CH3' hv > 'HOCH2CH(O.) CH3'+ OH @j[COOH_to_HO2]; //COOH(j41) R[MBabs211D]= 'HOCH2CH(OOH) CH3'+ OH ----> 'HOCH2CH(O2.) CH3' @ 1 .90E12*EXP( 190/TK); R[MBabs212D]= 'HOCH2CH(OOH) CH3'+ CL ----> 'HOCH2CH(O2.) CH3' + HCL @ 4.4E 11 0.5 ; R[MBabs213D]= 'HOCH2CH(OOH) CH3'+ OH ----> 'HOCH2COCH3' +OH @ 2.44E 11; R[MBabs214D]= 'HOCH2CH(OOH) CH3'+ CL ----> 'HOCH2COCH3' + OH + HCL @ 4.4E 11 0.5 ; //IPROPOLO2 R[MBabs215D]= 'CO(O2.) CH(OH) CH3'+ NO ----> 'CO(O.) CH(OH) CH3' + NO2 @KRO2NO* 0.991; R[MBabs216D]= 'CO(O2.) CH(OH) CH3'+ NO3 ----> 'CO(O.) CH(OH) CH3' + NO2 @KRO2NO3; R[MBabs217D]= 'CO(O2.) CH(OH) CH3'+ HO2 ----> 'HOOCH2 CH(OH) CH3' @KRO2HO2* 0.52 ;

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R[MBabs218D]= 'CO(O2.) CH(OH) CH3'+ RO2 ----> 'C(O.)CH(OH) CH3' @ 2.00E 12* 0.6; R[MBabs219D]= 'CO(O2.) CH(OH) CH3'+ RO2 ----> 'HOCH2CH(OH) CH3' @ 2.00 E12* 0.2; R[MBabs220D]= 'CO(O2.) CH(OH) CH3'+ RO2 ----> 'H CO CH(OH)CH3' @ 2.00E 12* 0.2; //IPROPOLO R[MBabs221D]= 'CO(O.) CH(OH) CH3'+ RO2 ----> 'H CO CH3' + 'H CO H' + HO2 @ 2.00E+14 *EXP( 5505 /TK); //IPROPOLO2H R[MBabs222D]= 'HOOCH2 CH(OH) CH3'+ OH ----> 'CH2(O2.)-CH(OH)CH3' @ 1.90E 12*EXP( 190/TK); R[MBabs223D]= 'HOOCH2 CH(OH) CH3'+ CL ----> 'CH2(O2.)-CH(OH)CH3' + HCL @ 4.4E 11 0.5 ; R[MBabs224D]= 'HOOCH2 CH(OH) CH3'+ OH ----> 'H CO CH(OH)CH3' + OH @ 1.83E11; R[MBabs225D]= 'HOOCH2 CH(OH) CH3'+ CL ----> 'H CO CH(OH)CH3' + OH + HCL @ 4.4E 11 0.5 ; R[MBabs226D]= 'HOOCH2 CH(OH) CH3' hv -> 'CH2(O.) CH(OH) CH3' + OH @j[COOH_to_HO2]; //COOH(j41) //PRONO3BO2 R[MBabs227D]= 'CH2(NO3) CH(O2.)CH3' + RO2 ----> 'CH2(NO3)-CH(O2.) CH3' @ 4.0E 14 0.6 ; R[MBabs228D]= 'CH2(NO3) CH(O2.) CH3' + RO2 ----> 'CH2(NO3) CH(OH)CH3' @ 4.0E 14 0.2 ; R[MBabs229D]= 'CH2(NO3) CH(O2.) CH3' + RO2 ----> 'CH2(NO3) CO CH3' @ 4.0E 14 0.2 ; R[MBabs230D]= 'CH2(NO3) CH(O2.) CH3' + NO ----> 'CH2(NO3) CH(O.)CH3'+ NO2 @KRO2NO; R[MBabs231D]= 'CH2(NO3) CH(O2.) CH3' + HO2 ----> 'CH2(NO3) CH(OOH) CH3' @KRO2HO2* 0.52 ; R[MBabs232D]= 'CH2(NO3) CH(O2.) CH3' + NO3 ----> 'CH2(NO3) CH(O.)CH3' @KRO2NO3; //PRONO3BO R[MBabs233D]= 'CH2(NO3) CH(O.)CH3' + O2 ----> 'CH2(NO3) CO CH3' + HO2 @KROSEC; R[MBabs234D]= 'CH2(NO3) CH(O.)CH3' ----> 'H CO CH3' + 'H CO H' + NO2 @ 7.0E+3 ; //PROLNO3 R[MBabs235D]= 'CH2(NO3) CH (OH) CH3' + OH ----> 'H CO CH(OH)CH3' + NO2 @ 1.71E 12; R[MBabs236D]= 'CH2(NO3) CH(OH)CH3' + CL ----> 'H CO CH(OH)CH3' + NO2 + HCL @ 2.76E 11; //NOA R[MBabs237D]= 'CH2(NO3) CO CH3' hv -> 'CH2(O.) CO CH3' + NO2 @j[CH3CHNO3COCH3_to_NO2] ; //3butanoneNO3(j56) R[MBabs238D]= 'CH2(NO3) CO CH3' hv -> 'CO(O.) CH3' + 'H COH' + NO2 @j[CH3CHNO3COCH3_to_NO2] ; //3butanoneNO3(j57) R[MBabs239D]= 'CH2(NO3) CO CH3' + OH ----> 'H CO CO CH3' + NO2 @ 1.3E 13 ; R[MBabs240D] = 'CH2(NO3) CO CH3' + CL ----> 'H CO CO CH3' + NO2 + HCL @ 2.1E 12 ; //PR2O2HNO3 R[MBabs241D]= 'CH2(NO3) CH(OOH) CH3' hv -> 'CH2(NO3) CH(O.)CH3' + OH @j[COOH_to_HO2]; //COOH(j41) R[MBabs242D]= 'CH2(NO3) CH(OOH) CH3'+ OH ----> 'CH2(NO3) CH(O2.) CH3' @ 1.90E 12*EXP( 190/TK); R[MBabs243D]= 'CH2(NO3) CH(OOH) CH3'+ CL ----> 'CH2(NO3) CH(O2.) CH3' + HCL @ 4.4e 11 0.5 ; R[MBabs244D]= 'CH2(NO3) CH(OOH) CH3'+ OH ----> 'CH2(NO3) CO CH3' + OH @ 3.47E 12; R[MBabs245D]= CH2(NO3)-CH(OOH) CH3'+ CL ----> 'CH2(NO3) CO CH3' + OH + HCL @ 4.4e 11 0.5 ; //PRONO3AO2 R[MBabs246D]= 'CH2(O2.) CH(NO3) CH3'+ RO2 ----> 'CH2(O.) CH(NO3) CH3' @ 6.0E 13 0.6 ; R[MBabs247D]= 'CH2(O2.) CH(NO3) CH3'+ RO2 ----> 'HOCH2CH(NO3 )CH3' @ 6.0E 13 0.2 ; R[MBabs248D]= 'CH2(O2.) CH(NO3) CH3'+ RO2 ----> 'H CO CH(NO3) CH3' @ 6.0E 13 0.2 ; R[MBabs249D]= 'CH2(O2.) CH(NO3) CH3'+ NO ----> 'CH2(O.) CH(NO3) CH3' + NO2 @KRO2NO; R[MBabs250D]= 'CH2(O2.) CH(NO3) CH3'+ H O2 ----> 'HOOCH2 CH(NO3) CH3' @KRO2HO2* 0.52 ; R[MBabs251D]= 'CH2(O2.) CH(NO3) CH3'+ NO3 ---> 'HOOCH2 CH(NO3) CH3' + NO2 @KRO2NO3; //PRONO3AO R[MBabs252D]= 'CH2(O.) CH(NO3) CH3'+ O2 ----> 'H CO CH(NO3) CH3' + HO2 @KROPRIM; R [MBabs253D]= 'CH2(O.) CH(NO3) CH3' ----> 'H CO H' + 'H CO CH3' + NO2 @ 7.0E+3 ; //CHOPRNO3 R[MBabs254D]= 'H CO CH(NO3) CH3'+ OH ----> 'CO(O2.) CH(NO3) CH3' @ 3.55E 12; R[MBabs255D]= 'H CO CH(NO3) CH3'+ CL ----> 'CO(O2.) CH(NO3) -C H3' + HCL @ 8.4E 12 ; R[MBabs256D]= 'H CO CH(NO3) CH3' hv -> 'H CO CH(O.)CH3' + NO2 @j[CH3CHNO3COCH3_to_NO2] ; // 3butanoneNO3(j56) R[MBabs257D]= 'H CO CH(NO3) CH3' hv -> HO2 + CO + 'H CO CH3' + NO2 @j[CH3CHNO3COCH3_to_NO2] ; // 3 butanoneNO3(j57) R[MBabs258D]= 'H CO CH(NO3) CH3'+ NO3 ----> 'CO(O2.) CH(NO3) CH3' + HNO3 @KNO3AL* 2.4; //PRNO3CO3 R[MBabs259D]= 'CO(O2.) CH(NO3) CH3'+ RO2 ----> 'HOCO CH(NO3) CH3' @ 1.0E 11 0.3 ; R[MBabs260D]= 'CO(O2.) CH(NO3) CH3'+ RO2 ----> 'H CO CH3' + NO2 @ 1.0E 11 0.7 ; R[MBabs261D]= 'CO(O2.) CH(NO3) CH3'+ NO2 ----> 'NO3-OCO CH(NO3) CH3' @KFPAN; R [MBabs262D]= 'CO(O2.) CH(NO3) CH3'+ HO2 ----> 'HOOCOCH(NO3) CH3' @KAPHO2* 0.71 ;

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R[MBabs263D]= CO(O2.) CH(NO3) CH3'+ HO2 ----> 'HOCO CH(NO3) CH3' +O3 @KAPHO2* 0.29 ; R[MBabs264D]= 'CO(O2.) CH(NO3) CH3'+ NO ----> 'H CO CH3' + NO2 + NO2 @KAPNO; R[MBabs265D]= 'CO(O2.) CH(NO3) CH3'+ NO3 ----> 'H CO CH3' + NO2 + NO2 @KRO2NO3* 1.6 ; //PRNO3CO2H R[MBabs266D]= 'HOCO CH(NO3) CH3'+ OH ----> 'H CO CH3' + NO2 @ 3.14E 13; R[MBabs267D]= 'HOCO CH(NO3) CH3'+ CL ----> 'H CO CH3' + NO2 + HCL @ 2.17E 12; //PRNO3PAN R[MBabs268D]= 'NO3-OCO CH(NO3) CH3' ----> 'CO(O2.) CH(NO3) CH3' + NO2 @KBPAN; R[MBabs269D]= 'NO3-OCO CH(NO3) CH3' +OH ----> 'H CO CH3' + NO2 + CO + NO2 @ 1.43E 13; R[MBabs270D]= 'NO3-OCO CH(NO3) CH3' +CL ----> 'H CO CH3' + NO2 + CO + NO2 + HCL @ 2.17E 12; //PRNO3CO3H R[MBabs271D]= 'HOOCOCH(NO3) CH3' +OH ----> 'CO(O2.) CH(NO3) CH3' @ 3.77E 12; R[MBabs272D]= 'HOOCOCH(NO3) CH3' +CL ----> 'CO(O2.) CH(NO3) CH3' + HCL @ 4.4E 11 ; R[MBabs273D]= 'HOOCOCH(NO3) CH3' hv -> 'H CO CH3' + NO2 + OH @j[COOH_to_HO2]; //COOH(j41) //PROPALO R[MBabs274D]= 'H CO CH(O.)CH3' ----> 'H CO CH3' + HO2 + CO @KDEC; //PR1O2HNO3 R[MBabs275D]= 'HOOCH2 CH(NO3) CH3' hv -> 'CH2(O.) CH(NO3) CH3' + OH @j[COOH_to_HO2]; //COOH(j41) R[MBabs276D]= 'HOOCH2 CH(NO3) CH3' + OH ----> 'CH2(O2.) CH(NO3) CH3' @ 1.90E 12*EXP( 190/TK); R[MBabs277D]= 'HOOCH2 CH(NO3) CH3' + CL ----> 'CH2(O2.) CH(NO3) CH3' + HCL @ 4.4e 11 0.5 ; R[MBabs278D]= 'HOOCH2 CH(NO3) CH3' + CL ----> 'H CO CH(NO3) CH3' + HCL + OH @ 4.4e 11 0.5 ; R[MBabs279D]= 'HOOCH2 CH(NO3) CH3' + OH ----> 'H CO CH(NO3) CH3' + OH @ 1.69E 12; //HMVKAO2 R[MBabs280D]= 'CH2(O2.) CH(OH)CO CH3' + RO2 ----> 'H CO CH(OH)CO CH3' @ 2.0E 12 0.2 ; R[MBabs281D]= 'CH2(O2.) CH(OH)CO CH3' + RO2 ----> 'HOCH2CH(OH) COCH3' @ 2.0E 12 0.2 ; R[MBabs282D]= 'CH2(O2.) CH(OH)CO CH3' + RO2 ----> 'CH2(O.) CH(OH) CO CH3' @ 2.0E 12 0.6 ; R[MBabs283D]= 'CH2(O2.) CH(OH)CO CH3' + NO ----> 'CH2(O.) CH(OH) CO CH3' + NO2 @ KRO2NO* 0.983 ; R [MBabs284D]= 'CH2(O2.) CH(OH)CO CH3' + NO3 ----> 'CH2(O.) CH(OH) CO CH3' + NO2 @KRO2NO3; //CO2H3CHO R[MBabs285D]= 'H CO CH(OH)CO CH3' + OH ----> 'CO(O2.) CH(OH) CO CH3' @ 2.45E 11; R[MBabs286D]= 'H CO CH(OH)CO CH3' + CL ----> 'CO(O2.) CH(OH) CO CH3' +HCL @ 7.75E 11; R[MBabs287D]= 'H CO CH(OH)CO CH3' + NO3 ----> 'CO(O2.) CH(OH) CO CH3' + HNO3 @KNO3AL* 4.0; R[MBabs288D]= 'H CO CH(OH)CO CH3' hv -> 'H CO CO CH3'+ CO + 2 HO2 @j[HOCH2CHO_to_RO2] ; / / HOCH2CHO(J15); //CO2H3CO3 R[MBabs289D]= 'CO(O2.) CH(OH) CO CH3' + RO2 ----> 'H CO CO CH3' + HO2 @ 1.0E 11 ; R[MBabs290D]= 'CO(O2.) CH(OH) CO CH3' + HO2 ----> 'HOOCOCH(OH) COCH3' @KAPHO2; R[MBabs291D]= 'CO(O2.) CH(OH) CO CH3' + NO 2 ----> 'NO3-OCO CH(OH)CO CH3' @KFPAN; R[MBabs292D]= 'CO(O2.) CH(OH) CO CH3' + NO ----> 'H CO CO CH3' + HO2 + NO2 @KAPNO; R[MBabs293D]= 'CO(O2.) CH(OH) CO CH3' + NO3 ----> 'H CO CO CH3' + HO2 + NO2 @KRO2NO3* 1.6 ; //CO2H3CO3H R[MBabs294D]= 'HOOCOCH(OH) COCH3' + OH ----> 'CO(O2.) C H(OH) CO CH3' @ 7.34E 12; R[MBabs295D]= 'HOOCOCH(OH) COCH3' + CL ----> 'CO(O2.) CH(OH) CO CH3' + HCL @ 4.4E 11 ; R[MBabs296D]= 'HOOCOCH(OH) COCH3' hv -> 'H CO CO CH3' + HO2 + OH @j[COOH_to_HO2]; //COOH(j41); R[MBabs297D]= 'HOOCOCH(OH) COCH3' hv -> 'CO(O2.) CH3' + HO2 + 'HOO COCOH' @j[HOCH2COCH3_to_CH3CO] ; // OHAcetone(j22) //CHPAN6 R[MBabs298D]= 'NO3-OCO CH(OH)CO CH3' ----> 'CO(O2.) CH(OH) CO CH 3' + NO2 @KBPAN; R[MBabs299D]= 'NO3-OCO CH(OH)CO CH3' + OH ----> 'H CO CO CH3' + NO2 + CO @ 3.74E 12; R[MBabs300D]= 'NO3-OCO CH(OH)CO CH3' + CL ----> 'H CO CO CH3' + NO2 + CO @ 2.1E 12 ; // HMVKAO R[MBabs301D]= 'CH2(O.) CH(OH) CO CH3' ----> 'H CO CO CH3' + 'H CO H' + HO2 @KDEC; // HMVKAOOH R[MBabs302D]= 'HOOCH2 CH(OH) CO CH3' + OH ----> 'H CO CH(OH)CO CH3' + OH @ 5.77E 11; R[MBabs303D]= 'HOOCH2 CH(OH) CO CH3' + CL ----> 'H CO CH(OH)CO CH3' + OH + HCL @ 4.4E 11 ; R[MBabs304D]= 'HOOCH2 CH(OH) CO CH3' hv -> 'CH2(O.) CH(OH) CO CH3' + OH @j[COOH_to_HO2]; //COOH(j41); //HMVKBO2

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R[MBabs305D]= 'HOCH2CH(O2.) CO CH3' +RO2 ----> 'HOCH2CH(O.) COCH3' @ 8.8E 13 0.6 ; R[MBabs306D]= 'HOCH2CH(O2.) CO CH3' +RO2 ----> 'HOCH2CH(OH) COCH3' @ 8.8E 13 0.2 ; R[MBabs307D]= 'HOCH2CH(O2.) CO CH3' +RO2 ----> 'HOCH2COCOCH3' @ 8.8E 13 0.2 ; R[MBabs308D]= 'HOCH2CH(O2.) CO CH3' +NO ----> 'HOCH2CH(O.) COCH3' + NO2 @KRO2N O; R[MBabs309D]= 'HOCH2CH(O2.) CO CH3' +HO2 ----> 'HOCH2CH(OOH) CO CH3' @KRO2HO2* 0.625 ; R[MBabs310D]= 'HOCH2CH(O2.) CO CH3' +NO3 ----> 'HOCH2CH(O.) COCH3' + NO2 @KRO2NO3; //HMVKBO R[MBabs311D]= 'HOCH2CH(O.) COCH3' ----> 'CO(O2.) CH3' + 'HO CH2 COH' @KDEC; //HMVKBOOH R[MBabs312D]= 'HOCH2CH(OOH) CO CH3' + OH ----> 'HOCH2COCOCH3' + OH @ 3.95E 11; R[MBabs313D]= 'HOCH2CH(OOH) CO CH3' + CL ----> 'HOCH2COCOCH3' + OH + HCL @ 4.4E 11 ; R[MBabs314D] = 'HOCH2CH(OOH) CO CH3' hv -> 'HOCH2CH(O.) COCH3' + OH @j[COOH_to_HO2]; //COOH(j41); / /MGLOOA R[MBabs315D]= 'H C(=OO)COCH3' ----> 'H C(=OO)COCH3( 2 )' @KDEC* 0.24 ; R[MBabs316D]= 'H C(=OO)COCH3' ----> 'CO(O2.) -C H3' + OH + CO @KDEC* 0.36 ; R[MBabs317D]= 'H C(=OO)COCH3' ----> 'H CO CH3' @KDEC* 0.20 ; R[MBabs318D]= 'H C(=OO)COCH3' ----> 'CO(O2.) CH3' + 'H CO H' + HO2 @KDEC* 0.20 ; //MGLOO R[MBabs319D]= 'H C(=OO)COCH3( 2 )' + CO ----> 'H CO CO CH3' @ 1.2E 15 ; R[MBabs320D]= 'H C(=OO)COCH3( 2 )' + H2O ----> 'HOCO CO CH3' @ 1.0E 17 ; R[MBabs321D]= 'H C(=OO)COCH3( 2 )' + NO ----> 'H CO CO CH3' + NO2 @ 1.0E 17 ; R[MBabs322D]= 'H C(=OO)COCH3( 2 )' + H2O ----> 'H CO CO CH3' + H2O2 @ 6.0E 18 ; R[MBabs323D]= 'H C(=OO)COCH3( 2 )' + NO2 ----> 'H CO CO CH3' + NO3 @ 6.0E 18 ; //MBOBO2 R[MBabs175C]= 'CH2(O2.) CH(OH)C(CH3)(OH) CH3' + RO2 ----> 'CH2(O.) CH(OH) C(CH3)(OH) CH3' @ 2 .0E12 0.6 ; // R[MBabs176C]= 'CH2(O2.) CH(OH)C(CH3)(OH) CH3' + RO2 ----> 'H CO CH(OH)C(CH3)(OH) CH3' @ 2.0E 12 0.2 ; // 1-1-1-1 R[MBabs177C]= 'CH2(O2.) CH(OH)C(CH3)(OH) CH3' + RO2 ----> 'HOCH2CH(OH) C(CH3)(OH) CH3' @ 2.0E 12 0.2 ; // 1-3-1 R[MBabs178C]= 'CH2(O2.) CH(OH)C(CH3)(OH) CH3' + NO ----> 'CH2(O.) CH(OH) C(CH3)(OH) CH3' + NO2 @KRO2NO* 0.974 ; // R[MBabs179C]= 'CH2(O2.) CH(OH)C(CH3)(OH) CH3' + NO3 ----> 'CH2(O.) CH(OH) C(CH3)(OH) CH3' + NO2 @KRO2NO3 ; // R[MBabs180C]= 'CH2(O2.) CH(OH)C(CH3)(OH) CH3' + HO2 ----> 'HOOCH2 CH(OH) C(CH3)(OH) CH3' @KRO2HO2 ; // MBOBOOH //MBOBO R[MBabs181C]= 'CH2(O.) CH(OH) C(CH3)(OH) CH3' ----> 'H CO H' + HO2 + 'H CO C(CH3)(OH) CH3' @KDEC ; // MBOBO2 //MBOBOOH R[MBabs182C]= HOOCH2 CH(OH) C(CH3)(OH) CH3' + OH ----> 'CH2(O2.) CH(OH)C(CH3)(OH) CH3' @ 1.90E 12*EXP( 190/TK) ; R[MBabs183C]= 'HOOCH2 CH(OH) C(CH3)(OH) CH3' + CL ----> 'CH2(O2.) CH(OH)C(CH3)(OH) CH3'+ HCL @ 4.4E 11 0.5 ; R[MBabs184C]= 'HOOCH2 CH(OH) C(CH3)(OH)CH3' + OH ----> 'H CO CH(OH)C(CH3)(OH) CH3' + OH @ 2.05E 12 ; //1-1-11 R[MBabs185C]= 'HOOCH2 CH(OH) C(CH3)(OH) CH3' + CL ----> 'H CO CH(OH)C(CH3)(OH) CH3' + OH + HCL@ 4.4E11 0.5 ; R[MBabs186C]= 'HOOCH2 CH(OH) C(CH3)(OH) CH3' hv -> 'CH2(O.) CH(OH) C(CH3)(OH) CH3'+ OH @j[COOH_to_HO2]; //COOH(j41) // R[MBabs187C]= 'CH3C(CH3)(OH) CH(CL)CH2 O2.' + RO2 ----> 'CH3C(CH3)(OH) CH(CL)CH2 O.' @ 2.0E 12 0.6 ; // R[MBabs188C]= 'CH3C(CH3)(OH) CH(CL)CH2 O2.' + RO2 ----> 'CH3C(CH3)(OH) CH(CL)COH' @ 2.0E 12 0.2 ; // 1-2-2-1 R[MBabs189C]= 'CH3C(CH3)(OH) CH(CL)CH2 O2.' + RO2 ----> 'HOCH2CH(CL) C(CH3)(OH) CH3' @ 2.0E 12 0.2 ; // 1-2-2-1 R[MBabs190C]= 'CH3C(CH3)(OH) CH(CL)CH2 O2.' + NO ----> 'CH3C(CH3)(OH) CH(CL)CH2 O.' + NO2 @KRO2NO* 0.974 ; // R[MBabs191C]= 'CH3C(CH3)(OH) CH(CL)CH2 O2.' + NO3 ----> 'CH3C(CH3)(OH) CH(CL)CH2 O.' + NO2 @KRO2NO3 ; // R[MBabs192C]= 'CH3C(CH3)(OH) CH(CL)CH2 O2.' + HO2 ----> 'HOOCH2 CH(CL) C(CH3)(OH) CH3' @KRO2HO2 ; // MBOBOOH R[MBabs193C]= 'CH3C(CH3)(OH) CH(CL)CH2 O.' + O2 ----> 'CH3C(CH3)(OH) CH(CL)COH' @KROPRIM ; // CL12PRC // R[MBabs194C]= 'HOOCH2 CH(CL) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CH(CL)CH2 O2.' @ 1.90E 12*EXP( 190/TK); // MBOBOOH R [MBabs195C]= 'HOOCH2 CH(CL) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CH(CL)CH2 O2.' +HCL @ 4.4E 11 0.5 ; // MBOBOOH R[MBabs196C]= 'HOO CH2 CH(CL) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CH(CL)COH' + OH @ 2.05E 12; // R[MBabs197C]= 'HOO-C H2 CH(CL) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CH(CL)COH' + OH + HCL @ 4.4E 11 0.5 ; // R[MBabs198C]= 'HOOCH2 CH(CL) C(CH3)(OH) CH3' hv -> 'CH3C(CH3)(OH) CH(CL)CH2 O.'+ OH @j[COOH_to_HO2]; //COOH(j41) // R[MBabs169B]= 'CH3C(CH3)(OH) CH=CH2' + O3 ----> 'H C(=OO)H' + 'H CO C(CH3)(OH) CH3' @ 1.10E 17* 0.5 ; // ME3BUT1ENE R[MBabs170B]= 'CH3C(CH3)(OH) CH=CH2' + O3 ----> 'H CO H' + 'H C(O= O) C(CH3)(OH) CH3' @ 1.10E 17* 0.5 ; // ME3BUT1ENE //CH2OOB

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R[MBabs171B]= 'H C(=OO)H' ----> CO @KDEC* 0.4 ; // CH2OOB R[MBabs172B]= 'H C(=OO)H' ----> 'H C(=OO)H(2 )' @KDEC* 0.24 ; // CH2OOB R[MBabs173B]= 'H C(=OO)H' ----> HO2 + CO + OH @KDEC* 0.36 ; // C2EOOB //CH2OO R[MBabs174B]= 'H C(=OO)H(2 )' + CO ----> 'H CO H' @ 1.2E 15 ; // C2EOO R[MBabs175B]= 'H C(=OO)H(2 )' + H2O ----> 'HOCO H' @ 1.0E 17 ; // C2EOO R[MBabs176B]= 'H C(=OO)H(2 )' + H2O ----> 'H CO H' + H2O2 @ 6.0E -18 ; // C2EOO R[MBabs177B]= 'H C(=OO)H(2 )' + NO ----> 'H CO H' + NO2 @ 1.0E 14 ; // C2EOO R[MBabs178B]= 'H C(=OO)H(2 )' + NO2 ----> 'H CO H' + NO3 @ 1.0E 15 ; // C2EOO //MBOOOA R[MBabs179B]= 'H C(=OO)C(CH3)(OH) CH3' ----> 'H C(=OO)C(CH3)(OH) CH3(2 )' @KDEC* 0.24 ; // IPRCHOOA R[MBabs180B]= 'H C(=OO)C(CH3)(OH) CH3' ----> 'CH3CH(OH) CH3' @KDEC* 0.20 ; // IPRCHOOA R[MBabs181B]= 'H C(=OO)C(CH3)(OH) CH3' ----> 'CH3COCH3' + HO2 + CO + O H @KDEC* 0.36 ; // IPRCHOOA R[MBabs182B]= 'H C(=OO)C(CH3)(OH) CH3' ----> 'CH3COCH3' + HO2 + HO2 @KDEC* 0.20 ; // IPRCHOOA //MBOOO R[MBabs183B]= 'H C(=OO)C(CH3)(OH) CH3(2 )' + CO ----> 'H CO C(CH3)(OH) CH3' @ 1.2E 15 ; // 1-1-11 R[MBabs184B]= 'H C(=OO)C(CH3)(OH) CH3(2 )' + H2O ----> 'HOCO C(CH3)(OH) CH3' @ 1.0E 17 ; // 1-1-11 R[MBabs185B]= 'H C(=OO)C(CH3)(OH) CH3(2 )' + NO ----> 'H CO C(CH3)(OH) CH3' + NO2 @ 1.0E 14 ; // 1-1-11 R[MBabs186B]= 'H C(=OO)C(CH3)(OH) CH3(2 )' + H2O ----> 'H CO C(CH3)(OH) CH3' + H2O2 @ 1.0E 18 ; // 1-1-11 R[MBabs187B]= 'H C(=OO)C(CH3)(OH) CH3(2 )' + NO2 ----> 'H CO C(CH3)(OH) CH3' + NO3 @ 1.0E 15 ; // 1-1-11 //1 -3-1 R[MBabs172]= 'HOCH2CH(OH) C(CH3)(OH) CH3' + OH ----> 'HOCH2COC(CH3)(OH) CH3' @ 1.51E 11 ; // MBOAOH R[MBabs173]= 'HOCH2CH(OH) C(CH3)(OH) CH3' + CL ----> 'HOCH2COC(CH3)(OH) CH3' + HCL @ 1.14E 11 ; // ATKINSON 1997 R[MBabs174]= 'HOCH2COC(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CO CO H' + HO2 @ 3.79E 12 ; // MBOACO R[MBabs175]= 'HOCH2COC(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CO CO H' + HO2 + HCL @ 5.81E 11 ; // ATKINSON 1997 R[MBabs176]= 'HOCH2COC(CH3)(OH) CH3' hv -> 'CH3C(CH3)(OH) -COO2.' + 'HCO H' + HO2 @j[HOCH2COCH3_to_CH3CO] ; //OHAcetone(j22) R[MBabs177]= 'CH3C(CH3)(OH) CO CO H' + OH ----> 'CO(O2.) C(CH3)(OH) CH3' + CO @ 1.38E 11 ; // 1-1-1-1-1 MBOCOCO R[MBabs178]= 'CH3C(CH3)(OH) CO CO H' + CL ----> 'CO(O2.) C(CH3)(OH) CH3' + CO + HCL @ 5.94E 11 ; // R[MBabs179]= 'H CO CO C(CH3)(OH) CH3' hv -> 'CH3C(CH3)(OH) CO O2.' + CO + HO2 @j[MGLY_to_HO2]; // MGLYOX(J34) //1 -3-2 R[MBabs181]= 'CH3C(CH3)(OH) CH(O2.) CH2 CL' + RO2 ----> 'CLCH2-C H(OH)C(CH3)(OH) CH3' @ 8.8E 13 0.2 ; // JENKIN 1997 R[MBabs182]= 'CH3C(CH3)(OH) CH(O2.) CH2 CL' + RO2 ----> 'CH3C(CH3)(OH) CO CH2CL' @ 8.8E 13 0.2 ; // 1-3-2-1 JENKIN 1997 R[MBabs183]= 'CH3C(CH3)(OH) CH(O2.) CH2 CL' + RO2 ----> 'CH3C(CH3)(OH) CH(O.)CH2 CL' @ 8.8E 13 0.6 ; // JENKIN 1997 R[MBabs184]= 'CH3C(CH3)(OH) CH(O.)CH2 CL' ----> 'H CO CH2CL' + 'CH3 CO CH3'+HO2 @KDEC ; // R[MBabs185]= 'CLCH2CH(OH) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CO CH2CL' @ 1.51E11 ; // MBOAOH R[MBabs186]= 'CLCH2CH(OH) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CO CH2CL' + HCL @ 6.44E 11 ; // ATKINSON 1997 // R[MBabs216A]= 'CH3C(CH3)(OH) CH(O2.) CH2 CL' + NO ----> 'CH3C(CH3)(OH) CH(O.)CH2 CL' + NO2 @KRO2NO 0.938; // MEBU2OLO2 R[MBabs217A]= 'CH3C(CH3)(OH) CH(O2.) CH2 CL' + NO3 ---> 'CH3C(CH3)(OH) CH(O.)CH2 CL' + NO2 @KRO2NO3; // MEBU2OLO2 R[MBabs218A]= 'CH3C(CH3)(OH) CH(O2.) CH2 CL' + NO ----> 'CH3C(CH3)(OH) CH(NO3) CH2 CL' @KRO2NO* 0.062; // MEBU2OLO2 R[MBabs219A]= 'CH3C(CH3)(OH) CH(O2.) CH2 CL' + HO2 ----> 'CLCH2CH(OOH) C(CH3)(OH) CH3' @KRO2HO2* 0.706 ; // MEBU2OLO2 R[MBabs220A]= 'CH3C(CH3)(OH) CH(NO3) CH2 CL' + OH ----> 'CH3C(CH3)(OH) CO CH2CL' + NO2 @ 5.97E 13; // MEBU2ONO3 R[MBabs221A]= 'CH3C(CH3)(OH) C H(NO3) CH2 CL' + CL ----> 'CH3C(CH3)(OH) CO CH2CL' + NO2 +HCL @ 5.59E 11; // MEBU2ONO3 R[MBabs222A]= 'CLCH2CH(OOH) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CH(O2.) CH2 CL' @ 1.90E 12*EXP( 190/ TK) ; // MEBU2OLOOH R[MBabs223A]= 'CLCH2CH(OOH) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CH(O2.) CH2 CL' +HCL @ 4.4E 11 0.5 ; // MEBU2OLOOH R[MBabs224A]= 'CLCH2CH(OOH) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CO CH2CL' + OH @ 2.07E 11 ; // MEBU2OLOOH R[MBabs225A]= 'CLCH2CH(OOH) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CO CH2CL' + OH +HCL @ 4.4E 11 0.5 ; //MEBU2OLOOH R[MBabs226A]= 'CLCH2CH(OOH) C(CH3)(OH) CH3' ----> 'CH3C(CH3)(OH) CH(O.)CH2 CL' + OH @j[COOH_to_HO2] ; //COOH(j41) //1 -3-2-1 R[MBabs188]= 'CH3C(CH3)(OH) CO CH2CL' + OH ----> 'CLCH2COC(CH3)(O.) CH3' @ 1.38E 12 ; // MIPKAOH R[MBabs189]= 'CH3C(CH3)(OH) CO CH2CL' + CL ----> 'CLCH2COC(CH3)(O.) CH3' + HCL @ 5.57E 11 ; // R[MBabs190]= 'CLCH2COC(CH3)(O.) CH3' ----> 'CO(O2.) CH2CL' + 'CH3 COCH3' @KDEC ; / / //1 -4 R[MBabs192]= CISCH2(O.) C(CH3)=CH CH3' ----> 'CISHOCH2 C(CH3)=CH CH2O2.' @ 3.05E+11 *EXP( 4240 /TK)* 0.5 ;

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// MIPEAO R[MBabs192B]= 'CISCH2(O.) C(CH3)=CH CH3' ----> 'H CO CH3' + 'CO(O2.) CH3' + 'H CO H' @ 3.05E+11 *EXP( 4240 /TK)* 0.5; // MIPEAO R[MBabs193]= 'CISHOCH2 C(CH3)=CH CH2O2.' + RO2 ----> 'CISHOCH2 C(CH3)=CH CH2OH' @ 2.4E 12 0.1 ; // 1-0-2 C5202 R[MBabs194]= 'CISHOCH2 C(CH3)=CH CH2O2.' + RO2 ----> 'CISHOCH2 C(CH3)=CH CO H' @ 2.4E 12 0.1 ; // 1-0-2 R[MBabs195]= 'CISHOCH2 C(CH3)=CH CH2O2.' + RO2 ----> 'CISHOCH2 C(CH3)=CH CH2O.' @ 2.4E 12 0.8 ; // R[MBabs196]= 'CISHOCH2 C(CH3)=CH CH2O.' ----> 'CISHOCH2 CH=C(CH3) CO H' @ 8.4E+10 *EXP(3523/TK)* 0.5 ; // ISOPAO R[MBabs197]= 'CISHOCH2 C(CH3)=CH CH2O.' ----> 'HOCH2COCH3' + CO + 'H CO H' @ 8.4E+10 *EXP(3523/TK)* 0.5 ; // ISOPAO // R[MBabs227A]= 'CIS-HOCH2 C(CH3)=CH CH2O2.' + NO3 ----> 'CISHOCH2 C(CH3)=CH CH2O.' + NO2 @KRO2NO3 ; // ISOPAO2 R[MBabs228A]= 'CISHOCH2 C(CH3)=CH CH2O2.' + NO ----> 'CISHOCH2 C(CH3)=CH CH2O.' + NO2 @KRO2NO* 0.892 ; //ISOPAO2 R[MBabs229A]= 'CISHOCH2 C(CH3)=CH CH2O2.' + NO ----> 'CISHOCH2 C(CH3)=CH CH2NO3' @KRO2NO* 0.108 ; //ISOPAO2 R[MBabs230A]= 'CISHOCH2 C(CH3)=CH CH2O2.' + HO2 ----> 'CISHOO CH2CH=C(CH3) CH2 OH' @KRO2HO2* 0.706 ; //ISOPAO2 R[MBabs231A]= 'CISHOCH2 C(CH3)=CH -C H2NO3' + OH ----> 'CISHOCH2 C(CH3)=CH CO H' + NO2 @ 8.91E 11 ; //ISOPANO3 R[MBabs232A]= 'CISHOCH2 C(CH3)=CH CH2NO3' + CL ----> 'CISHOCH2 C(CH3)=CH CO H' + NO2 + HCL @ 9.12E 11 ; //ISOPANO3 R[MBabs233A]= 'CISHOCH2 C(CH3)=CH CH2NO3' hv -> 'CIS HO CH2C(CH3)=CH CH2O.' + NO2 @j[CH2NO3CHNO3CHCH2_to_NO2]; //4_buten_no3.cqy(J53) R[MBabs234A]= 'CISHOO CH2CH=C(CH3) CH2 OH' + OH ----> 'CISHOCH2 C(CH3)=CH CO H' + OH @ 1.07E 10 ; //ISOPAO2 R[MBabs235A]= 'CISHOO CH2CH=C(CH3) CH2 OH' + CL ----> 'CISHOCH2 C(CH3)=CH CO H' + OH + HCL @ 4.4E 11 ; //ISOPAO2 R[MBabs236A]= 'CISHOO CH2CH=C(CH3) CH2 OH' hv -> 'CISHOCH2 C(CH3)=CH CH2O.' + OH @j[COOH_to_HO2] ; // COOH(j41) //1 -5 R[MBabs198]= 'CIS-HCO C(CH3)=CH CH3 + OH ----> 'CISCO(O2.) C(CH3)=CHCH3' @ 4.52E 11* 0.48 ; // HC4CCHO 84 R[MBabs199]= 'CIS-HCO C(CH3)=CH CH3' + CL ----> 'CISCO(O2.) C(CH3)=CHCH3' + HCL @ 4.46E 10* 0.2 ; // R[MBabs200]= 'CIS-HCO C(CH3)=CH CH3' + OH ----> 'CH3CH(OH) C(CH3)(O2.) COH' @ 4.52E 11* 0.52 ; // 1-5-1 HC4CCHO R[MBabs201]= 'CIS-HCO C(CH3)=CH CH3' + CL ----> 'H CO C(CH3)(O2.) CH(CL) CH3' + HCL @ 4.46E 10* 0.8 ; // 1-5-2 R[MBabs202]= 'CISCO(O2.) C(CH3)=CH CH3' + RO2 ----> 'CISHOCOC(CH3)=CHCH3' @ 1.00E 11* 0.3 ; // HC4CCO3 R[MBabs203]= 'CISCO(O2.) C(CH3)=CH CH3' + RO2 ----> 'H CO CH3' + 'CO(O2.) CH3' @ 1.00E 11* 0.7 ; // HC4CCO3 R[MBabs204]= 'CISHOCOC(CH3)=CH CH3' + OH ----> 'H CO CH3' + 'CO(O2.) CH3' @ 2.52E 11 ; // HC4CCO2H R[MBabs205]= 'CISHOCOC(CH3)=CH CH3' + CL ----> 'H CO CH3' + 'CO(O2.) CH3' + HCL @ 9.31E 11 ; // // R[MBabs237A]= 'CISCO(O2.) C(CH3)=CH CH3' + HO2 ----> 'CISHOO CO C(CH3)=CH CH3' @KRO2HO2* 0.71 ; // HC4CCO3 R[MBabs238A]= 'CISCO(O2.) C(CH3)=CH CH3' + HO2 ----> 'CISHOCOC(CH3)=CH CH3' + O3 @KRO2HO2* 0.29 ; // HC4CCO3 R[MBabs239A]= 'CISCO(O2.) C(CH3)=CHCH3' + NO2 ----> 'CISNO3 -OCOC(CH3)=CH CH3' @KFPAN ; // HC4CCO3 R[MBabs240A]= 'CISCO(O2.) C(CH3)=CHCH3' + NO ----> 'H CO CH3' + 'CO(O2.) CH3'+ NO2 @KAPNO ; // HC4CCO3 R[MBabs241A]= 'CISCO(O2.) C(CH3)=CHCH3' + NO ----> 'H CO CH3' + 'CO(O2.) CH3'+ NO2 @KRO2NO3* 1.6 ; // HC4CCO3 R[MBabs242A]= 'CISHOO CO C(CH3)=CH CH3' + OH ----> 'CISCO(O2.) C(CH3)=CH CH3' @ 2.88E 11 ; // HC4CCO3H R[MBabs243A]= 'CISHOO CO C(CH3)=CH CH3' + CL ----> 'CISCO(O2.) C(CH3)=CH CH3' + HCL @ 4.4E 11 ; // HC4CCO3H R[MBabs244A]= 'CISCO(O2.) C(CH3)=CHCH3' hv -> 'H CO CH3' + 'CO(O2.) CH3'+ OH @j[COOH_to_HO2]; // COOH(j41) R[MBabs245A]= 'CISNO3 -OCOC(CH3)=CH CH3' + OH ----> 'CISHOCOC(CH3)=CH CH3' + NO2 @ 2.52E 11 ; // C5PAN19 R[MBabs246A]= 'CISNO3 -OCOC(CH3)=CH CH3' + CL ----> 'CISHOCOC(CH3)=CH CH3' + NO2 + HCL @ 9.31E 11 ; // C5PAN19 R[MBabs247A]= 'CISNO3 -OCOC(CH3)=CH CH3' ----> 'CISCO(O2.) C(CH3)=CH CH3' + NO2 @KBPAN ; // C5PAN19 //1 -5-1 R[MBabs206]= CH3CH(OH) C(CH3)(O2.) COH' + RO2 ----> 'H CO C(CH3)(OH) CH(OH) CH3' @ 9.20E 14* 0 .3 ; // JENKIN 1997 R[MBabs207]= 'CH3CH(OH) C(CH3)(O2.) COH' + RO2 ----> 'CH3CH(OH) C(CH3)(O.) COH' @ 9.20E 14* 0.7 ; // JENKIN 1997 R[MBabs208]= 'H CO C(CH3)(OH) CH(OH) CH3' + OH ----> 'CH3CH(OH) C(CH3)(O.) COH' @ 3.04E 11 ; // C57O H R[MBabs209]= 'H CO C(CH3)(OH) CH(OH) CH3' + CL ----> 'CH3CH(OH) C(CH3)(O.) COH' + HCL @ 1.58E 10 ; // R[MBabs210]= 'CH3CH(OH) C(CH3)(O.) COH' ----> 'H CO CH3' + 'H CO CO CH3' + HO2 @KDEC ; // C57OH 72 // R[MBabs248A]= 'CH3CH(OH) C(CH3)(O2.) COH' + NO3 ---> 'CH3CH(OH) C(CH3)(O.) COH'+ NO2 @KRO2NO3 ; // R[MBabs249A]= 'CH3CH(OH) C(CH3)(O2.) COH' + NO ---> 'CH3CH(OH) C(CH3)(O.) COH' + NO2 @KRO2NO ; // R[MBabs250A]= 'CH3CH(OH) C(CH3)(O2.) COH' + HO2 ---> 'H CO C(CH3)(OOH) CH(OH) CH3' @KRO2HO2* 0.706 ; // R[MBabs251A]= 'H CO C(CH3)(OOH) CH(OH) CH3' + OH ---> 'CH3CH(OH) C(CH3)(O2.) COH' @ 4.58E 11 ; // HOC4CHOOOH R[MBabs252A]= 'H CO C(CH3)(OOH) CH(OH) CH3' + CL ---> 'CH3CH(OH) C(CH3)(O2.) COH' + HCL @ 4.4E 10 ; // HOC4CHOOOH R[MBabs253A]= 'H CO C(CH3)(OOH) CH(OH) CH3' hv-> 'CH3CH(OH) C(CH3)(O.) COH' + OH @j[COOH_to_HO2]; // COOH(j41) R[MBabs254A]= 'H CO C(CH3)(OOH) CH(OH) CH3' hv-> 'HCO CH3' + 'H COCOCH3' + HO2 + OH @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) //1 -5-2 R[MBabs212]= 'H CO C(CH3)(O2.) CH(CL) CH3' + RO2 ----> 'H CO C(CH3)(OH) CH(CL) CH3' @ 9.20E 14* 0.3 ; // JENKIN 1997 R[MBabs213]= 'H CO C(CH3)(O2.) CH(CL) CH3' + RO2 ----> 'H CO C(CH3)(O.) CH(CL) CH3' @ 9.20E 14* 0.7 ; // JENKIN 1997

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R[MBabs214]= 'H CO C(CH3)(O.) CH(CL) CH3' ----> 'CLCH(O2.) CH3' + 'H CO CO CH3' + HO2 @KDEC ; // R[MBabs215]= 'CLCH(O2.) CH3' + RO2 ----> 'CLCH(O.) CH3' @ 8.80E 13* 0.60 ; / / CH3CHCL02 R[MBabs216]= 'CLCH(O2.) CH3' + RO2 ----> 'CLCH(OH) CH3' @ 8.80E 13* 0.20 ; // CH3CHCL02 R[MBabs217]= 'CLCH(O2.) CH3' + RO2 ----> 'CLCO CH3' @ 8.80E 13* 0.20 ; // CH3CHCL02 R[MBabs218]= 'CLCH(O.) CH3' ----> 'H CO CH3' + CL @KDEC ; // //1 -6 R[MBabs220]= 'CIS HO CH2C(CH3)=CH CH3' + OH ----> 'HOCH2C(CH3)(O2.) CH(OH) CH3' @ 1.39E 10* 0.6 ; // ATKINSON 1995 R[MBabs221]= 'CIS HO CH2C(CH3)=CH CH3' + OH ----> 'HOCH 2C(CH3)(OH) CH(O2.) CH3' @ 1.39E 10* 0.4 ; // 1-61ATKINSON 1995 R[MBabs222]= 'CIS HO CH2C(CH3)=CH CH3' + CL ----> 'HOCH2C(CH3)(O2.) CH(CL) CH3' @ 4.06E 10* 0.5 ; // 1-6-2 R[MBabs223]= 'CIS HO CH2C(CH3)=CH CH3' + CL ----> 'HOCH2C(CH3)(CL) CH(O2.) CH3' @ 4.06E 10* 0.5 ; // 1-6-3 R[MBabs224]= 'HO CH2 C(CH3)(O2.) CH(OH) CH3' + RO2 ----> 'HOCH2C(CH3)(O.) CH(OH) CH3' @ 9.2E 14 0.7 ; // 1-62JENKIN 1997 R[MBabs225]= 'HO CH2 C(CH3)(O2.) CH(OH) CH3' + RO2 ----> 'HOCH2C(CH3)(OH) CH(OH) CH3' @ 9.2E 14 0.3 ; // 1-61JENKIN 1997 // R[MBabs255A]= 'HOCH2C(CH3)(O2.) CH(OH) CH3' + NO3 ----> 'HOCH2C(CH3)(O.) CH(OH) CH3' + NO2 @KRO2NO3 ; //ME2BUOLO2 R[MBabs256A]= 'HOCH2C(CH3)(O2.) CH(OH) CH3' + NO ----> 'HOCH2C(CH3)(O.) CH(OH) CH3' + NO2 @KRO2NO* 0.981 ; //ME2BUOLO2 R[MBabs257A]= 'HOCH2C(CH3)(O2.) CH(OH) CH3' + NO ----> 'HOCH2C(CH3)(NO3) CH(OH) CH3' @KRO2NO* 0.019 ; //ME2BUOLO2 R[MBabs258A]= 'HOCH2C(CH3)(O2.) CH(OH) CH3' + HO2 ----> 'HOCH2C(CH3)(OOH) CH (OH)CH3' @KRO2HO2* 0.706 ; //ME2BUOLO2 R[MBabs259A]= 'HOCH2C(CH3)(NO3) CH(OH) CH3' + OH ----> 'H CO CH3' + 'HO CH2CO CH3' + HO2 + NO2 @ 1.72E 12 ; //ME2BUOLNO3 R[MBabs300A]= 'HOCH2C(CH3)(NO3) CH(OH) CH3' + CL ----> 'H CO CH3' + 'HO CH2CO CH3' + HO2 + NO2 + HCL @ 3.49E 11 ; //ME2BUOLNO3 R[MBabs301A]= 'HOCH2C(CH3)(OOH) CH(OH) CH3' + OH ----> 'HOCH2C(CH3)(O2.) CH(OH) CH3' @ 1.90E 12*EXP( 190/TK) ; //ME2BUOLOOH R[MBabs302A]= 'HOCH2C(CH3)(OOH) CH(OH) CH3' + CL ----> 'HOCH2C(CH3)(O2 .) CH(OH) CH3' + HCL @ 4.4E 11 ; //ME2BUOLOOH R[MBabs303A]= 'HOCH2C(CH3)(OOH) CH(OH) CH3' hv -> 'HOCH2C(CH3)(O.) CH(OH) CH3' @j[COOH_to_HO2]; // COOH(j41) //1 -6-1 R[MBabs227]= 'HOCH2C(CH3)(OH) CH(O2.) CH3' + RO2 ----> 'HOCH2C(CH3)(OH) CH(OH) CH3' @ 8.8E 13 0.2 ; // JENKIN 1997 R[MBabs228]= 'HOCH2C(CH3)(OH) CH(O2.) CH3' + RO2 ----> 'HOCH2C(CH3)(OH) CO CH3' @ 8.8E 13 0.2 ; // JENKIN 1997 R[MBabs229]= 'HOCH2C(CH3)(OH) CH(O2.) CH3' + RO2 ----> 'HOCH2C(CH3)(OH) CH(O.) CH3' @ 8.8E 13 0.6 ; // JENKIN 1997 R[MBabs230]= 'HOCH2C(CH3)(OH) CH(O.) CH3' ----> 'H CO CH3' + 'HO CH2CO CH3' + HO2 @KDEC ; // R[MBabs231]= 'HOCH2C(CH3)(OH) CH(OH) CH3' +OH ----> 'HOCH2C(CH3)(OH) CO CH3' + HO2 @ 8.35E 12 ; // ATKINSON 1995 R[MBabs232]= 'HOCH2C(CH3)(OH) CH(OH) CH3' +CL ----> 'HOCH2C(CH3)(OH) CO CH3' + HO2 + HCL @ 1.20E 10; // R[MBabs233]= 'HOCH2C(CH3)(OH) CO CH3' + OH ----> 'H CO C(CH3)(OH) CO CH3' + HO2 @ 4.00E 12; // 1-6-1-1 ATKI NSON 1995 R[MBabs234]= 'HOCH2C(CH3)(OH) CO CH3' + CL ----> 'H CO C(CH3)(OH) CO CH3' + HO2 + HCL @ 6.72E 11; // // R[MBabs304A]= 'HOCH2C(CH3)(OH) CH(O2.) CH3' + NO3 ----> 'HOCH2C(CH3)(OH) CH(O.) CH3'+ NO2 @KRO2NO3 ; // ME2BU2OL R[MBabs305A]= 'HOCH2C(CH3)(OH) CH(O2.) CH3' + NO ----> 'HOCH2C(CH3)(OH) CH(O.) CH3'+ NO2 @KRO2NO ; // ME2BU2OL R[MBabs306A]= 'HOCH2C(CH3)(OH) CH(O2.) CH3' + HO2 ----> 'CH3CH(OOH) C(CH3)(OH) CH2 OH' @KRO2HO2* 0.706 ; // ME2BU2OL R[MBabs307A]= 'CH3CH(OOH) C(CH3)(OH) CH2 OH' + OH ----> 'HOCH2C(CH3)(OH) CH(O2.) CH3' @ 1.90E 12*EXP( 190/TK); //ME2BU2OLOOH R[MBabs308A]= 'CH3CH(OOH) C(CH3)(OH) CH2 OH' + CL ----> 'HOCH2C(CH3)(OH) CH(O2.) CH3' + HCL @ 4.4E 11 0.5 ; // ME2BU2OLOOH R[MBabs309A]= 'CH3CH(OOH) C(CH3)(OH) CH2 OH' + OH ----> 'HOCH2C(CH3)(OH) CO CH3' + OH @ 2.07E 11 ; // ME2BU2OLOOH R[MBabs310A]= 'CH3CH(OOH) C(CH3)(OH) CH2 OH' + CL ----> 'HOCH2C(CH3)(OH) CO CH3' + OH + HCL @ 4.4E 11 0.5 ; //ME2BU2OLOOH R[MBabs31 1A]= 'CH3CH(OOH) C(CH3)(OH) CH2 OH' hv -> 'HOCH2C(CH3)(OH) CH(O.) CH3' + OH @j[COOH_to_HO2]; // COOH(j41) //1 -6-1-1 R[MBabs236]= 'H CO C(CH3)(OH) CO CH3' + OH ----> 'H CO C(CH3)(O.) CO CH3' @ 6.63E 11 ; // C4MCO2OH R[MBabs237]= 'H CO C(CH3)(OH) CO CH3' + CL ----> 'H CO C(CH3)(O.) CO CH3' + HCL @ 1.05E 10 ; // R[MBabs238]= 'H CO C(CH3)(OH) CO CH3' hv -> 'H CO CO CH3' + 'CO(O2.) CH3' + HO2 @j[HOCH2COCH3_to_CH3CO]; //OHAcetone(j22) 72 R[MBabs239]= 'H CO C(CH3)(OH) CO CH3' hv -> 'CH3COCOCH3' + 2 *H2O + CO @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) R[MBabs240]= 'H CO C(CH3)(O.) CO CH3' ----> 'CH3COCOCH3' + H2O + CO @KDEC* 0.5 ; // C4MCO2O 86 R[MBabs241]= 'H CO C(CH3)(O.) CO CH3' ----> 'H CO CO CH3' + 'CO(O2.) CH3' @KDEC* 0.5 ; // C4MCO2O 72 //1 -6-2 R[MBabs243]= 'HOCH2C(CH3)(O.) CH(OH) CH3' ----> 'H CO CH3' + 'HO CH2CO CH3' + HO2 @KDEC* 0.0 ; // R[MBabs244]= 'HOCH2C(CH3)(O.) CH(OH) CH3' ----> 'CH3CH(OH) COCH3' + 'H CO H' + HO2 @KDEC* 0.5* 2 ; // R [MBabs245]= 'HOCH2C(CH3)(O2.) CH(CL) CH3' + RO2 ----> 'HOCH2C(CH3)(OH) CH(CL) CH3' @ 9.2E 14 0.7 ; // 1-6-2-1 JENKIN 1997 R[MBabs246]= 'HOCH2C(CH3)(O2.) CH(CL) CH3' + RO2 ----> 'HOCH2C(CH3)(O.) CH(CL) CH3' @ 9.2E 14 0.3 ; // JENKIN 1997 R[MBabs247]= 'HOCH2C(CH3)(O.) CH(CL) CH3' ----> 'CLCH(O2.) CH3' + 'HO CH2 COCH3' @KDEC* 0.5 ; // 1-5-2 R[MBabs248]= 'HOCH2C(CH3)(O.) CH(CL) CH3' ----> 'CH3COCH(CL) CH3' + 'HCO H' + HO2 @KDEC*0.5 ; // // R[MBabs312A]= 'HOCH2C(CH3)(O2.) CH(CL) CH3' + NO3 ----> 'HOCH2C(CH3)(O.) CH(CL) CH3' + NO2 @KRO2NO3 ; // JENKIN 1997

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R[MBabs313A]= 'HOCH2C(CH3)(O2.) CH(CL) CH3' + NO ----> 'HOCH2C(CH3)(O.) CH(CL) CH3' + NO2 @KRO2NO ; // JENKIN 1997 R[MBabs314A]= 'HOCH2C(CH3)(O2.) CH(CL) CH3' + HO2 ----> 'HOCH2C(CH3)(OOH) CH(CL) CH3' + NO2 @KRO2HO2* 0.706 ; //JENKIN 1997 R[MBabs315A]= 'HOCH2C(CH3)(OOH) CH(CL) CH3' + OH ----> 'HOCH2C(CH3)(O2.) CH(CL) CH3' @ 4.20E 11 ; // ISOPBOOH R[MBabs316A]= 'HOCH2C(CH3)(OOH) CH(CL) CH3' + CL ----> 'HOCH2C(CH3)(O2.) CH(CL) CH3' + HCL @ 4.4E 11 ; // ISOPBOOH R[MBabs317A]= 'HOCH2C(CH3)(OOH) CH(CL) CH3' hv -> 'HOCH2C(CH3)(O.) CH(CL) CH3' + OH @j[COOH_to_HO2]; // COOH(j41) //1 -6-2-1 R[MBabs250]= 'HOCH2C(CH3)(OH) CH(CL) CH3' + OH ----> 'H CO C(CH3)(OH) CH(CL) CH3' @ 5.78E 12 ; // M2BUOL2OH R[MBabs251]= 'HOCH2C(CH3)(OH) CH(CL) CH3' + CL ----> 'H CO C(CH3)(OH) CH(CL) CH3' + HCL @ 7.36E -11 ; // ATKINSON 1997 R[MBabs252]= 'H CO C(CH3)(OH) CH(CL) CH3' + OH ----> 'CO(O2.) C(CH3)(OH) CH(CL) CH3' @ 2.52E 11 ; // PROL1MCHO R[MBabs253]= 'H CO C(CH3)(OH) CH(CL) CH3' + CL ----> 'CO(O2.) C(CH3)(OH) CH(CL) CH3' + HCL @ 1.11E 10 ; // R [MBabs254]= 'CO(O2.) C(CH3)(OH) CH(CL) CH3' + RO2 ----> 'CH3COCH(CL) CH3' + HO2 @ 1.00E 11 ; // PROL1MCO3 // R[MBabs318A]= 'CO(O2.) C(CH3)(OH) CH(CL) CH3' + NO3 ----> 'CH3COCH(CL) CH3' + HO2 + NO2 @KRO2NO3* 1.6 ; // PROL1MCO3 R[MBabs319A]= 'CO(O2.) C(CH3)(OH) CH(CL) CH3' + NO ----> 'CH3COCH(CL) CH3' + HO2 + NO2 @KAPNO ; // PROL1MCO3 R[MBabs320A]= 'CO(O2.) C(CH3)(OH) CH(CL) CH3' + NO2 ----> 'NO3-OCO C(CH3)(OH) CH(CL) CH3' @KFPAN ; // PROL1MCO3 R[MBabs321A]= 'CO(O2.) C(CH3)(OH) CH(CL) CH3' + HO2 ----> 'HOOCOC(CH3)(OH) CH(CL) CH3' @KAPHO2 ; // PROL1MCO3 R[MBabs322A]= 'NO3-OCO C(CH3)(OH) CH(CL) CH3' + OH ----> 'CH3COCH(CL) CH3' + HO2 + NO2 @ 1.62E 12 ; // PROL1MCO3 R[MBabs323A]= 'NO3-OCO C(CH3)(OH) CH(CL) CH3' + CL ----> 'CH3COCH(CL) CH3' + HO2 + NO2 + HCL @ 3.6E 11 ; // PROL1MCO3 check R[MBabs324A]= 'NO3-OCO C(CH3)(OH) CH(CL) CH3' ----> 'CO(O2.) C(CH3)(OH) CH(CL) CH3' + NO2 @KBPAN ; // PROL1MCO3 R[MBabs325A]= 'HOOCOC(CH3)(OH) -C H(CL) CH3' + OH ----> 'CO(O2.) C(CH3)(OH) CH(CL) CH3' @ 8.08E 12; // PROL1MCO3H R[MBabs326A]= 'HOOCOC(CH3)(OH) CH(CL) CH3' + CL ----> 'CO(O2.) C(CH3)(OH) CH(CL) CH3' + HCL @ 4.4E 11 ; // PROL1MCO3H R[MBabs327A]= 'HOOCOC(CH3)(OH) CH(CL) CH3' ----> 'CH3COCH(CL) CH3' + HO2 + OH @j[COOH_to_HO2]; // COOH(j41) //1 -6-3 R[MBabs256]= 'HOCH2C(CH3)(CL) CH(O2.) CH3' + RO2 ----> 'HOCH2C(CH3)(CL) CH(OH) CH3' @ 8.8E 13 0.2 ; // 1-6-3-1 JENKIN 1997 R[MBabs257]= 'HOCH2-C (CH3)(CL) CH(O2.) CH3' + RO2 ----> 'HOCH2C(CH3)(CL) CO CH3' @ 8.8E 13 0.2 ; // 1-6-3-1 JENKIN 1997 R[MBabs258]= 'HOCH2C(CH3)(CL) CH(O2.) CH3' + RO2 ----> 'HOCH2C(CH3)(CL) CH(O.) CH3' @ 8.8E 13 0.6 ; // JENKIN 1997 R[MBabs259]= 'HOCH2C(CH3)(CL) CH(O.) CH3' ----> 'H CO CH3' + 'HO CH2C(CL)(O2.) CH3' @KDEC ; // // R[MBabs328A]= 'HOCH2C(CH3)(CL) CH(O2.) CH3' + NO3 ----> 'HOCH2C(CH3)(CL) CH(O.) CH3' + NO2 @KRO2NO3 ; // HM2C43O2 R[MBabs329A]= 'HOCH2C(CH3)(CL) CH(O2. )CH3' + NO ----> 'HOCH2C(CH3)(CL) CH(O.) CH3' + NO2 @KRO2NO* 0.871 ; // HM2C43O2 R[MBabs330A]= 'HOCH2C(CH3)(CL) CH(O2.) CH3' + NO ----> 'HOCH2C(CH3)(CL) CH(NO3) CH3' @KRO2NO* 0.129 ; // HM2C43O2 R[MBabs331A]= 'HOCH2C(CH3)(CL) CH(O2.) CH3' + HO2 ----> 'CH3CH(OOH) C(CH3)(CL) CH2 OH' @KRO2HO2* 0.706 ; // HM2C43O2 R[MBabs332A]= 'HOCH2C(CH3)(CL) CH(NO3) CH3' + OH ----> 'HOCH2C(CH3)(CL) CO CH3' + NO2 @ 4.93E 12 ; // HM2C43NO3 R[MBabs333A]= 'HOCH2C(CH3)(CL) CH(NO3) CH3' + CL ----> 'HOCH2C(CH3)(CL) CO CH3' + NO2 + HCL @ 1.26E 11 ; // HM2C43NO3 R[MBabs334A]= 'HOCH2C(CH3)(CL) CH(NO3) CH3' hv -> 'HOCH2C(CH3)(CL) CH(O.) CH3' + NO2 @j[iC5H11NO3_to_NO2]; // ic5h11no3.cqy(J54) R[MBabs335A]= 'CH3CH(OOH) C(CH3)(CL )CH2 OH' + OH ----> 'HOCH2C(CH3)(CL) CO CH3' + OH @ 3.11E 11 ; // HM2C43OOH R[MBabs336A]= 'CH3CH(OOH) C(CH3)(CL) CH2 OH' + CL ----> 'HOCH2C(CH3)(CL) CO CH3' + OH + HCL @ 4.4E 11 ; // HM2C43OOH R[MBabs337A]= 'CH3CH(OOH) C(CH3)(CL) CH2 -O H' hv -> 'HOCH2C(CH3)(CL) CH(O.) CH3' + OH @j[COOH_to_HO2]; // COOH(j41) // CH3COCL R[MBabs262]= 'CLCO CH3' hv -> 'CO(O2.) CH3' + CL @ j[HOCH2COCH3_to_CH3CO] ; // OHAcetone(j22) R[MBabs263]= 'CLCO CH3' + OH ----> 'CLCO CH2O2.' @ 3.88E 14 ; // R[MBabs264]= 'CLCO CH3' + CL ----> 'CLCO CH2O2.' + HCL @ 1.0E 14 ; // 1993SHI/WAL6184 6192 // CH3CO3 R[MBabs266]= 'CO(O2.) CH3' + RO2 ----> 'CH3O2.' @ 1.00E 11 0.7 ; // R[MBabs267]= 'CO(O2.) CH3' + RO2 ----> 'HOCO CH3' @ 1.00E 11 0.3 ; // R[MBabs268]= 'CO(O2.) CH3' + HO2 ----> 'HOOCOCH3' @ KAPHO2* 0.71 ; // R[MBabs269]= 'CO(O2.) CH3' + HO2 ----> 'HOCO CH3' + O3 @ KAPHO2* 0.29 ; // // R[MBabs338A]= 'CO(O2.) CH3' + NO ----> 'CH3O2.' + NO2 @ KAPNO ; // R[MBabs339A]= 'CO(O2.) CH3' + NO3 ----> 'CH3O2.' + NO2 @ KRO2NO3* 1.6 ; // R[MBabs340A]= 'CO(O2.) CH3' + NO2 ----> 'NO3-OCO CH3' @ KFPAN; // R[MBabs341A]= 'NO3-OCO CH3' ----> 'CO(O2.) CH3' + NO2 @ KBPAN; //PAN R[MBabs342A]= 'NO3-OCO CH3' + OH ----> 'H CO H' + CO + NO2 @ 3.0E 14 ; // PAN R[MBabs343A]= 'NO3-OCO CH3' + CL ----> 'H CO H' + CO + NO2 + HCL @ 2.0E 14 ; // PAN//2001 ATK/BAU1-56 // CLCOCH2O2

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R[MBabs271]= 'CLCO CH2O2.' + RO2 ----> 'CLCO CH2O.' @ 2.00E 12 ; // R[MBabs272]= 'CLCO CH2O2.' + HO2 ----> 'HOOCH2 CO CL' @ 3.30E 13 *EXP( 820 /TK) ; // // R[MBabs344A]= 'CLCO CH2O2.' + NO ----> 'CLCO CH2O.'+ NO2 @ KRO2NO* 1.6 ; // R[MBabs345A]= 'CLCO CH2O2.' + NO3 ----> 'CLCO CH2O.'+ NO2 @ KRO2NO3 ; // // CLCOCH2O2 R[MBabs274]= 'CLCO CH2O.' ----> 'H CO H' + CO + CL @ KDEC ; // // CLCOCH2OOH R[MBabs276]= 'HOOCH2 CO CL' hv -> 'CLCO CH2O.' + OH @ j[COOH_to_HO2] ; // COOH(j41) R[MBabs277]= 'HOOCH2 CO CL' + OH ----> 'CLCO CH2O2.' @ 7.25E 12 ; // R[MBabs278]= 'HOOCH2 CO CL' + CL ----> 'CLCO -C H2O2.' + HCL @ 4.4E 11 ; // // HCHO R[MBabs280]= 'H CO H' hv -> H2 + CO @ j[HCHO_to_H2] ; // hchos(j12) R[MBabs281]= 'H CO H' + OH ----> HO2 + CO @ 1.20E 14 *TK*EXP( 287 /TK) ; // R[MBabs281B]= 'H CO H' + CL ----> HO2 + CO + HCL @ 7.3E 11 ; //PITTS R[MBabs282]= 'H CO H' hv -> CO + HO2 + HO2 @ j[HCHO_to_HO2] ; // HCHOR(j11) R[MBabs283]= 'H CO H' + NO3 ----> HNO3 + CO + HO2 @ 5.8E 16 ; // HCHO // 1-6-3-1 R[MBabs284]= 'HOCH2C(CH3)(CL) CH(OH) CH3' + OH ----> 'HOCH2C(CH3)(CL) CO CH3' + HO2 @ 2.40E 12 ; // ATKINSON 1995 R[MBabs285]= 'HOCH2C(CH3)(CL) CH(OH) CH3' + CL ----> 'HOCH2C(CH3)(CL) CO CH3' + HO2 + HCL @ 4.21E 11 ; // ATKINSON 1997 R[MBabs286]= 'HOCH2C(CH3)(CL) CO CH3' + OH ----> 'H CO C(CH3)(CL) CO CH3' +HO2 @ 1.17E 12 ; // ATKINSON 1995 R[MBabs287]= 'HOCH2C(CH3)(CL) CO CH3' + CL ----> 'H CO C(CH3)(CL) CO CH3' +HO2 + HCL @ 1.23E 11 ; // ATKINSON 1997 R[MBabs288]= 'HCO C(CH3)(CL) CO CH3' + OH ----> 'CO(O2.) C(CH3)(CL) CO CH3' @ 6.10E 12 ; // ATKINSON 1995 R[MBabs289]= 'H CO C(CH3)(CL) CO CH3' + CL ----> 'CO(O2.) C(CH3)(CL) CO CH3' + HCL @ 1.82E 11 ; // R[MBabs290]= 'CO(O2.) C(CH3)(CL) CO CH3' + RO2 ----> 'HOCO C(CH3)(CL) COCH3' @ 1.0E 11 0.3 ; // ATKINSON 1995 R[MBabs291]= 'CO(O2.) C(CH3)(CL) CO CH3' + RO2 ----> 'CH3COC(CL)(O2.) CH3' @ 1.0E 11 0.7 ; // ATKINSON 1995 // R[MBabs347A]= 'CO(O2.) C(CH3)(CL) CO CH3' + NO3 ----> 'CH3COC(CL)(O2.) CH3' + NO2 @KRO2NO3* 1.6 ; // C41CO3 R[MBabs348A]= 'CO(O2.) C(CH3)(CL) CO CH3' + NO ----> 'CH3COC(CL)(O2.) CH3' + NO2 @KAPNO ; // C41CO3 R[MBabs349A]= 'CO(O2.) C(CH3)(CL) CO CH3' + NO2 ----> 'NO3-OCO C(CH3)(CL) CO CH3' @KFPAN ; // C41CO3 R[MBabs350A]= 'CO(O2.) C(CH3)(CL) CO CH3' + HO2 ----> 'HOCO C(CH3)(CL) COCH3' + O3 @KAPHO2* 0.29 ; // C41CO3 R[MBabs351A]= 'CO(O2.) C(CH3)(CL) CO CH3' + HO2 ----> 'HOOCOC(CH3)(CL) CO CH3' @KAPHO2* 0.71 ; // C41CO3 R[MBabs352A]= 'NO3-OCO C(CH3)(CL) CO CH3' ----> 'CO(O2.) C(CH3)(CL) CO CH3' + NO2 @KBPAN ; // C5PAN7 R[MBabs353A]= 'NO3-OCO C(CH3)(CL) CO CH3' + OH ---> 'CH3COC(CL)(O2.) CH3'+ NO2 + CO @ 3.96E 12 ; // C5PAN7 R[MBabs354A]= 'NO3-OCO C(CH3)(CL) CO CH3' + CL ----> 'CH3COC(CL)(O2.) CH3'+ NO2 + CO + HCL @ 6.44E 12 ; // C5PAN7 R[MBabs355A]= 'HOOCOC(CH3)(CL) CO CH3' + OH ----> 'CO(O2.) C(CH3)(CL) CO CH3' @ 7.56E 12; // C5PAN7 R[MBabs356A]= 'HOOCOC(CH3)(CL) CO CH3' + CL ----> 'CO(O2.) C(CH3)(CL) CO CH3' + HCL @ 4.4E 11 ; // C5PAN7 R[MBabs357A]= 'HOOCOC(CH3)(CL) CO CH3' hv -> 'CH3COC(CL)(O2.) CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs358A]= 'HOOCOC(CH3)(CL) CO CH3' hv -> 'CH3COC(CL)(O2.) CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) // 1-6-3-1-1 R[MBabs293]= 'HOCO C(CH3)(CL) COCH3' + OH ----> 'CH3COC(CL)(O2.) CH3' @ 4.00E 12 ; // R[MBabs294]= 'HOCO C(CH3)(CL) COCH3' + CL ----> 'CH3COC(CL)(O2.) CH3' + HCL @ 6.44E 12 ; // R[MBabs295]= 'HOCO C(CH3)(CL) COCH3' hv -> 'CO(O2.) CH3' + 'CL CH(O2.) CH3' @j[HOCH2COCH3_to_CH3CO]; // 1-5-2 OHAcetone(j22) R[MBabs296]= 'CH3COC(CL)(O2.) CH3' + RO2 ----> 'CH3C(CL)(OH) COCH3' @ 9.20E 14* 0.3 ; // 122 R[MBabs297]= 'CH3COC(CL)(O2.) CH3' + RO2 ----> 'CH3COC(CL)(O.) CH3' @ 9.20E 14* 0.7 ; // R[MBabs298]= 'CH3COC(CL)(O.) CH3' ----> 'CO(O2.) CH3' + 'CL CO CH3' @KDEC ; // // R[MBabs359A]= 'CH3COC(CL)(O2.) -C H3' + NO3 ----> 'CH3COC(CL)(O.) CH3' + NO2 @KRO2NO3 ; // MEKBO2 R[MBabs360A]= 'CH3COC(CL)(O2.) CH3' + NO ----> 'CH3COC(CL)(O.) CH3' + NO2 @KRO2NO ; // MEKBO2 R[MBabs361A]= 'CH3COC(CL)(O2.) CH3' + HO2 ----> 'CH3C(CL)(OOH) CO CH3' @KRO2HO2* 0.625 ; // MEKBO2 R[MBabs362A]= 'CH3C(CL)(OOH) CO CH3' + OH ----> 'CH3COC(CL)(O2.) CH3' @ 1.90E 12*EXP( 190/TK) ; // MEKBO2 R[MBabs363A]= 'CH3C(CL)(OOH) CO CH3' + CL ----> 'CH3COC(CL)(O2.) CH3' + HCL @ 4.4 E11 ; // MEKBO2 R[MBabs364A]= 'CH3C(CL)(OOH) CO CH3' hv -> 'CH3COC(CL)(O.) CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs365A]= 'CH3C(CL)(OOH) CO CH3' hv -> 'CO(O2.) CH3' + 'CL CO CH3' + OH @j[HOCH2COCH3_to_CH3CO] ; // OHAcetone(j22) // CH3CHO R[MBabs300]= 'H CO CH3' + OH ----> 'CO(O2.) CH3' @ 5.55E 12 *EXP( 311 /TK) ;

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R[MBabs301]= 'H CO CH3' + CL ----> 'CO(O2.) CH3'+ HCL @ 7.20E 11 ; R[MBabs302]= 'H CO CH3' hv -> 'CH3O2.' + HO2 + CO @ j[CH3CHO_TO_HCO] ; // CCHO(J13) // CH3O2 R[MBabs303]= 'CH3O2.' + RO2 ----> 'HOCH3' @ 1.82E 13 *EXP( 416 /TK)* 0.335 ; R[MBabs304]= 'CH3O2.' + RO2 ----> 'H CO H' @ 1.82E 13 *EXP( 416 /TK)* 0.335 ; R[MBabs305]= 'CH3O2.' + RO2 ----> 'CH3O.' @ 1.82E 13 *EXP( 416 /TK)* 0.33 ; // R[MBabs366A]= 'CH3O2.' + NO3 ----> 'CH3O.' + NO2 @ KRO2NO3* 0.4 ; R[MBabs367A]= 'CH3O2.' + NO ----> 'CH3O.' + NO2 @ 3.00E 12 *EXP( 280 /TK)* 0.999 ; R[MBabs368A]= 'CH3O2.' + NO2 ----> 'CH3-ONO3' @ KMT13 ; R[MBabs369A]= 'CH3O2.' + HO2 ----> 'HOOCH3' @ 3.80E 13 *EXP( 780 /TK) ; R[MBabs370A]= 'CH3-ONO3' ----> 'CH3O2.' + NO2 @ KMT14 ; / /CH3CO2H R[MBabs307]= 'HOCO CH3' + OH ----> 'CH3O2.' @ 8.00E 13 ; R[MBabs307B]= 'HOCO CH3' + CL ----> 'CH3O2.' + HCL @ 2.8E 14 ; //2001ATK/BAU1 56 // CH3CO3H//CHECK R[MBabs309]= 'HOOCOCH3' hv -> 'CH3 O2.' + OH @ j[COOH_to_HO2] ; // COOH(j41) R[MBabs310]= 'HOOCOCH3' + OH ----> 'CO(O2.) CH3' @ 3.70E 12 ; R[MBabs310B]= 'HOOCOCH3' + CL ----> 'CO(O2.) CH3' + HCL @ 4.5E 15 ; //1999CRA/WAL365 378 // CH3OH R[MBabs312]= 'HOCH3' + OH ---> 0.85 *('H CO H' + HO2) + H2O + 0.15 *'CH3O.' @ 6.01E 18 *TK^ 2 *EXP( 170/TK) ; R[MBabs312B]= 'HOCH3' + CL ----> 0.85 *('H CO H' + HO2) + HCL + 0.15 *'CH3O.' @ 5.5E 11 ; //Bierbach et al(1992) R[MeOH2] = NO3 + 'HO CH3' ----> 'H CO H' + HO2 + HNO3 @ 1.3E12*EXP( 2560.0 /TK); //CH4 R[Me1] = OH + CH4 ---> 'CH3 O2.' + H2O @ 2.3E12*EXP( 1765.0 /TK); R[Me2] = NO3 + CH4 ---> 'CH3 O2.' + HNO3 @ 1.0E 18 ; R[Me3] = CL + CH4 ---> 'CH3 O2.' + HCL @ 9.60E 12 *EXP( 1350 /TK) ; // CH3O R[MBabs314]= 'CH3 O.' + O2 ----> HO2 + 'H CO H' @ 7.20E 14 *EXP( 1080/TK) ; R[MeO2_5t] = 'CH3 O.' + NO -M -> 'CH3 -ONO' @ TROE(1.6E 29 *T_300^ 3.5 3.6E 11 *T_300^ 0.6 ,b[M], 0.60); R[MeO2_6 ] = 'CH3 O.' + NO2 -M -> 'CH3 -ONO2' @ TROE( 2.8E 29*T_300^ 4.5, 2.0E11,b[M], 0.44 ); R[MeNO21] = 'CH3-ONO' hv > 'CH3 O.' + NO @ j[HONO_to_NO]; R[MeNO31] = 'CH3 -ONO2' hv > 'CH3 O.' + NO2 @ j[CH3NO3_to_NO2]; //Ch3no3.cqy R[MeNO32] = OH + 'CH3 -ONO2' ----> 'H CO H' + NO2 + H2O @ 1.0E14*EXP( 1060.0 /TK); R[MeNO33] = CL + 'CH3 -ONO2' ----> 'H CO H' + NO2 + HCL @ 1.0E13*EXP( 1060.0 /TK); // CH3OOH R[MBabs316]= 'HOOCH3 + OH ----> 'CH3 O2.' @ 1.90E 12 *EXP( 190 /TK) ; R[MBabs317]= 'HOOCH3' + OH ----> OH + 'H CO H' + H2O @ 1.00E 12 *EXP( 190 /TK) ; R[MBabs316B]= 'HOOCH3' + CL ----> 'CH3 O2.' + HCL @ 5.9E 11 0.5 ; //1997ATK/BAU521 1011 R[MBabs31 7B]= 'HOOCH3' + CL ----> OH + 'H CO H' + HCL @ 5.9E 11 0.5 ; //1997ATK/BAU521 1011 R[MBabs318]= 'HOOCH3' hv -> 'CH3 O.' + OH + H2O @ j[CH3OOH_to_CH3O] ; // 2 R [MBabs320]= 'CH2=C(CH3) CH(O2.) CH3' + RO2 ----> 'CH2=C(CH3) CH(O.) CH3' @ 1.4E 12 0.6 ; // 2-1 JENKIN 1997 R[MBabs321]= 'CH2=C(CH3) CH(O2.) CH3' + RO2 ----> 'CH3COC(CH3)=CH2' @ 1.4E 12 0.2 ; // 2-2 JENKIN 1997 R[MBabs322]= 'CH2=C(CH3) CH(O2.) CH3' + RO2 ----> 'CH3CH(OH) C(CH3)=CH2' @ 1 .4E12 0.2 ; // 2-3 JENKIN 1997 R[MBabs323]= 'TRAN CH2(O2.)-C(CH3)=CH CH3' + RO2 ----> 'TRAN CH2(O.) C(CH3)=CH CH3' @ 2.0E 12 0.6 ; // 2-4 ISOPCO2 R[MBabs324]= 'TRAN CH2(O2.)-C(CH3)=CH CH3' + RO2 ----> 'TRAN -HCOC(CH3)=CH CH3' @ 2.0E 12 0.2 ; // 2-4 ISOPCO2 84 R[MBabs325]= 'TRAN CH2(O2.)-C(CH3)=CH CH3' + RO2 ----> 'TRAN HO CH2C(CH3)=CH CH3' @ 2.0E 12 0.2 ; // 2-4 ISOPCO2 // R[MBabs325B]= 'TRAN -HCOC(CH3)=CH CH3' + OH ----> 'TRAN CO(O2.) C(CH3)=CH CH3' @ 4.52E 11* 0.48; // HC4CCH O 84 R[MBabs326B]= 'TRAN -HCOC(CH3)=CH CH3' + CL ----> 'TRAN CO(O2.) C(CH3)=CH CH3' + HCL @ 4.46E 10* 0.2; // R[MBabs327B]= 'TRAN -HCOC(CH3)=CH CH3' + OH ----> 'CH3CH(OH) C(CH3)(O2.) COH' @ 4.52E 11* 0.52; // 15-1 H C4CCHO R[MBabs328B]= 'TRAN -HCOC(CH3)=CH CH3' + CL ----> 'H CO C(CH3)(O2.) CH(CL) CH3' + HCL @ 4.46E 10* 0.8; // 1 -5-2 R[MBabs329B]= 'TRAN CO(O2.) C(CH3)=CH CH3' + RO2 ----> 'TRAN HO CO C(CH3)=CH CH3' @ 1.00E 11* 0.3; // HC4CCO3 R[MBabs330B]= 'TRAN CO(O2.) C(CH3)=CH CH3' + RO2 ----> 'H CO CH3' + 'CO(O2.) CH3' @ 1.00E 11* 0.7; // HC4CCO3 R[MBabs331B]= 'TRAN HO CO C(CH3)=CH CH3' + OH ----> 'H CO CH3' + 'CO(O2.) CH3' @ 2.52E 11 ; // HC4CCO2H

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R[MBabs332B]= 'TRAN HO CO C(CH3)=CH CH3' + CL ----> 'H CO CH3' + 'CO(O2.) CH3' + HCL @ 9.31E 11 ; // // R[MBabs371A]= 'CH2=C(CH3) CH(O2.) CH3' + NO3 ----> 'CH2=C(CH3) CH(O.) CH3' + NO2 @KRO2NO3 ; // ISOPDO2 R[MBabs372A]= 'CH2=C(CH3) CH(O2.) CH3' + NO ----> 'CH2=C(CH3) CH(O.) CH3' + NO2 @KRO2NO* 0.855 ; // ISOPDO2 R[MBabs373A]= 'CH2=C(CH3) CH(O2.) CH3' + NO ----> 'CH2=C(CH3) CH(NO3) CH3' @KRO2NO* 0.145 ; // ISOPDO2 R[MBabs374A]= 'CH2=C(CH3) CH(O2.) CH3' + HO2 ----> 'CH3CH(OOH) C(CH3)=CH2' @KRO2HO2* 0.706 ; // ISOPDO2 R[MBabs375A]= 'CH2=C(CH3) CH(NO3) CH3' + OH ----> 'CH3COC(CH3)=CH2' + NO2 @ 6.10E 11 ; // ISOPDNO3 R[MBabs376A]= 'CH2=C(CH3) CH(NO3) CH3' + CL ----> 'CH3COC(CH3)=CH2' + NO2 + HCL @ 4.72E 11 ; // ISOPDNO3 R[MBabs377A]= 'CH2=C(CH3) CH(NO3) CH3' hv -> 'CH2=C(CH3) CH(O.) CH3' + NO2 @j[iC5H11NO3_to_NO2]; // ic5h11no3.cqy(J54) // R[MBabs378A]= 'TRAN CH2(O2.)C(CH3)=CH CH3' + NO3 ----> 'TRAN CH2(O.) C(CH3)=CH CH3'+ NO2 @KRO2NO3 ; // ISOPCO2 R[MBabs379A]= 'TRAN CH2(O2.)C(CH3)=CH CH3 + NO ----> 'TRAN CH2(O.) C(CH3)=CH CH3'+ NO @KRO2NO* 0.892 ; // ISOPCO2 R[MBabs380A]= 'TRAN CH2(O2.)C(CH3)=CH CH3' + NO ----> 'TRAN NO3CH2C(CH3)=CH CH3' @KRO2NO* 0.108 ; // ISOPCO2 R[MBabs381A]= 'TRAN CH2(O2.)C(CH3)=CH CH3' + HO2 ---> 'TRAN HOOCH2C(CH3)=CH CH3' @KRO2HO2* 0.706 ; // ISOPCO2 R[MBabs382A]= 'TRAN NO3CH2C(CH3)=CH CH3' + OH ----> 'TRAN -HCOC(CH3)=CH CH3' + NO2 @ 8.91E 11 ; // ISOPCNO3 R[MBabs383A]= 'TRAN NO3CH2C(CH3)=CH CH3' + CL ----> 'TRAN -HCOC(CH3)=CH CH3' + NO2 + HCL @ 8.0E 11 ; // ISOPCNO3 R[MBabs384A]= 'TRAN NO3CH2C(CH3)=CH CH3' hv -> 'TRAN CH2(O.) C(CH3)=CH CH3'+ NO2 @j[CH2NO3CHNO3CHCH2_to_NO2] ; // 34_buten_no3.cqy(J53) R[MBabs385A]= 'TRAN HOOCH2C(CH3)=CH CH3' hv -> 'TRAN CH2(O.) C(CH3)=CH CH3'+ OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs386A]= 'TRAN HOOCH2C(CH3)=CH CH3' + OH ----> 'TRAN -HCOC(CH3)=CH CH3'+ OH @ 1.07E 10 ; // ISOPCOOH R[MBabs387A]= 'TRAN HOOCH2C(CH3)=CH CH3' + CL ----> 'TRAN -HCOC(CH3)=CH -C H3'+ OH + HCL @ 4.4E 11 ; // ISOPCOOH // 2-1 R[MBabs326]= 'CH2=C(CH3) CH(O.) CH3' ----> 'H CO H' + 'H CO C(CH3)=CH2'+ HO2 @KDEC* 0.3 ; // ISOPDO 70 R[MBabs327]= 'CH2=C(CH3) CH(O.) CH3' ----> 'H CO H' + 'H CO CH3' + 'CO(O2.) CH3' @ KDEC* 0.7 ; // ISOPDO 70 R[MBabs328]= 'H CO C(CH3)=CH2' + OH ----> 'CO(O2.) C(CH3)=CH2' @ 1.86E 11*EXP( 175/TK)* 0.57 ; // 2-1-1 MACR R [MBabs329]= 'H CO C(CH3)=CH2' + CL ----> 'CO(O2.) C(CH3)=CH2' + HCL @ 2.53E 10* 0.2 ; // MACR R[MBabs330]= 'H CO C(CH3)=CH2' + OH ----> 'HOCH2C(CH3)(O2.) CO H' @ 1.86E 11*EXP( 175/TK)* 0.43 ; // 2-1-1 MACR R[MBabs331]= 'H CO C(CH3)=CH2' + CL ----> 'H CO C(CH3)(O2.) CH2 CL' + HCL @ 2.53E 10* 0.8; // 2 -1-2 JENKIN 1997 R[MBabs332]= 'H CO -C (CH3)=CH2' hv -> 'CO(O2.) C(CH3)=CH2' +HO2 @j[MACR_to_Prods] ; // Macr(j19) R[MBabs333]= 'H CO C(CH3)=CH2' hv -> 'CO(O2.) CH3' +'H COH' @j[METHACRO_to_HCHO] ; // METHACRO(j18) // 2-1-1 R[MBabs335]= 'CO(O2.) C(CH3)=CH2' + RO2 ----> 'HOCO C(CH3)=CH2' @ 1.00E 11* 0.3 ; // MACO3 (MW 86) R[MBabs336]= 'CO(O2.) C(CH3)=CH2' + RO2 ----> 'CO(O2.) CH3' + 'H CO H' @ 1.00E 11* 0.7 ; // MACO3 R[MBabs337]= 'CO(O2.) C(CH3)=CH2' + HO2 ----> 'HOCO C(CH3) =CH2' + O3 @KAPHO2* 0.29 ; // MACO3 R[MBabs338]= 'CO(O2.) C(CH3)=CH2' + HO2 ----> 'HOOCOC(CH3)=CH2' @KAPHO2* 0.71 ; // MACO3 R[MBabs339]= 'HOCO C(CH3)=CH2' + OH ----> 'CO(O2.) CH3' + 'H CO H' @ 1.51E 11 ; // MACO2H R[MBabs340]= 'HOCO C(CH3)=CH2' + CL ----> 'CO(O2.) CH3' + 'H CO H' + HCL @ 2.99E 11 ; // R[MBabs341]= 'HOOCOC(CH3)=CH2' + OH ----> 'CO(O2.) C(CH3)=CH2' @ 1.87E 11 ; // MACO3H R[MBabs342]= 'HOOCOC(CH3)=CH2' + CL ----> 'CO(O2.) C(CH3)=CH2' + HCL @ 4.4E 11 ; // R[MBabs343]= 'HOOCOC(CH3)=CH2' hv -> 'CO(O2.) CH3' + 'H CO H' @j[COOH_to_HO2]; // COOH(j41) R[MBabs344]= 'HOCH2C(CH3)(O2.) CO H' + RO2 ----> 'HOCH2C(CH3)(O.) CO H' @ 9.20E 14* 0.7 ; // MACRO2 R[MBabs345]= 'HOCH2C(CH3)(O2.) CO H' + RO2 ----> 'HOCH2C(CH3)(OH) CO H' @ 9.20E 14* 0.3 ; // MACRO2 R[MBabs346]= 'HOCH2C(CH3)(O2.) CO H' + HO2 ----> 'HOCH2C(CH3)(OOH) CO H' @KRO2HO2* 0.625 ; // MACRO2 R[MBabs347]= 'HOCH2C(CH3)(OOH) CO H' + OH ----> 'HOCH2C(CH3)(O2.) CO H' @ 2.82E 11 ; // MACRO2 R[MBabs348]= 'HOCH2C(CH3)(OOH) CO H' + CL ----> 'HOCH2C(CH3)(O2.) CO H' + HCL @ 4.40E 11 ; // R [MBabs349]= 'HOCH2C(CH3)(OOH) CO H' hv -> 'HOCH2C(CH3)(O. )CO H' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs350]= 'HOCH2C(CH3)(OOH) CO H' hv -> 'HOCH2COCH3' + HO2 +CO + OH @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) R[MBabs351]= 'HOCH2C(CH3)(OH) CO H' + OH ----> 'HOCH2C(CH3)(O.) CO H' @ 2 .46E11 ; // MACROH R[MBabs352]= 'HOCH2C(CH3)(OH) CO H' + CL ----> 'HOCH2C(CH3)(O.) CO H' + HCL @ 1.4E 10 ; // R[MBabs353]= 'HOCH2C(CH3)(O.) CO H' hv -> 'HOCH2COCH3' + 2 *HO2 +CO @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) R[MBabs354]= 'HOCH2C(CH3)(O.) CO H' ----> 'HOCH2COCH3' + 'H CO H' @KDEC ; // // R[MBabs388A]= 'CO(O2.) C(CH3)=CH2' + NO3 ----> 'CO(O2.) CH3' + 'H CO H' + NO2 @KRO2NO3* 1.6 ; // MACO3 R[MBabs389A]= 'CO(O2.) C(CH3)=CH2' + NO ----> CO(O2.) CH3' + 'H CO H' + NO2 @ 8.70E 12*EXP( 290/TK) ; // MACO3 R[MBabs390A]= 'CO(O2.) C(CH3)=CH2' + NO2 ----> 'NO3-OCO C(CH3)=CH2' @KFPAN ; // MACO3 R[MBabs391A]= 'NO3-OCO C(CH3)=CH2' + OH ----> 'HOCH2COCH3' + CO + NO2 @ 3.60E12 ; // MPAN

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R[MBabs392A]= 'NO3-OCO C(CH3)=CH2' + CL ----> 'HOCH2COCH3' + CO + NO2 @ 2.99E 11 ; // MPAN R[MBabs393A]= 'NO3-OCO C(CH3)=CH2' ----> 'CO(O2.) C(CH3)=CH2' + NO2 + HCL @KBPAN ; // MPAN // R[MBabs394A]= 'HOCH2C(CH3)(O2.) CO H' + NO3 ----> 'HOCH2C(CH3)(O.) CO H' + NO2 @KRO2NO3 ; // MACRO2 R[MBabs395A]= 'HOCH2C(CH3)(O2.) CO H' + NO ----> 'HOCH2C(CH3)(O.) CO H' + NO2 @KRO2NO ; // MACRO2 // ACETOL HO CH2CO CH3 R[MBabs356]= 'HOCH 2COCH3' + OH ----> 'H CO CO CH3' + HO2 @ 3.00E 12 ; // ACETOL R[MBabs357]= 'HOCH2COCH3' + CL ----> 'H CO CO CH3' + HO2 + HCL @ 5.60E 11; //1999ORL/TYN1621 1629 R[MBabs358]= 'HOCH2COCH3' hv -> 'CO(O2.) CH3' + 'H CO H' + HO2 @j[HOCH2COCH3_to_CH3CO] ; // OHAcetone(j22) // MGLYOX R[MBabs360]= 'H CO CO CH3' + OH ----> 'CO(O2.) CH3' + CO @ 1.72E 11 ; // MGLYOX R[MBabs361]= 'H CO CO CH3' + CL ----> 'CO(O2.) CH3' + CO + HCL @ 4.8E 11 ; //1990G RE/YAR689 R[MBabs362]= 'H CO CO CH3' h v -> 'CO(O2.) CH3' + CO + HO2 @ j[MGLY_to_HO2] ; // MGLYOX(J34) //2-1-2 R[MBabs364]= 'H CO C(CH3)(O2.) CH2 CL' + RO2 ----> 'H CO C(CH3)(O.) CH2CL' @ 9.20E 14* 0.7 ; // JENKIN 199 7 R[MBabs365]= 'H CO C(CH3)(O2.) CH2 CL' + RO2 ----> 'H CO C(CH3)(OH) CH2CL' @ 9.20E 14* 0.3 ; // JENKIN 1997 R[MBabs366]= 'H CO C(CH3)(OH) CH2CL' + OH ----> 'H CO C(CH3)(O.) CH2CL' @ 2.46E 11 ; // MACROH R[MBabs367]= 'H CO C(CH3)(OH) CH2CL' + CL ----> 'H CO C(CH3)(O.) CH2CL' + HCL @ 1.08E 10 ; // R[MBabs368]= 'H CO C(CH3)(OH) CH2CL' hv -> 'CLCH2COCH3' + CO+ HO2 + HO2 @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) R[MBabs369]= 'H CO C(CH3)(O.) CH2CL' ----> 'CLCH2COCH3' + 'H CO H' @KDEC ; // 92 // R[MBabs396A]= 'H CO C(CH3)(O2.) CH2 CL' + NO3 ----> 'H CO C(CH3)(O.) CH2CL' + NO2 @KRO2NO3 ; //MACROOH R[MBabs397A]= 'H CO C(CH3)(O2.) CH2 CL' + NO ----> 'H CO C(CH3)(O.) CH2CL' + NO2 @KRO2NO ; //MACROOH R[MBabs398A]= 'H CO C(CH3)(O2.) CH2 CL' + HO2 ---> 'H CO C(CH3)(OOH) CH2 CL' @KRO2HO2* 0.706 ; //MACRO R[MBabs399A]= 'H CO C(CH3)(OOH) CH2 CL' + OH ----> 'H CO C(CH3)(O2.) CH2 CL' @ 2.82E 11 ; //MACROOH R[MBabs400A]= 'H CO C(CH3)(OOH) CH2 CL' + CL ----> 'H CO C(CH3)(O2.) CH2 CL' + HCL @ 4.4E 11 ; //MACROOH R[MBabs401A]= 'H CO C(CH3)(OOH) CH2 CL' hv -> 'H CO C(CH3)(O.) CH2CL' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs402A]= 'H CO C(CH3)(OOH) CH2 CL' hv -> 'CLCH2COCH3' + 'H CO H' + OH @j[iC3H7CHO_to_HCO] ; // IC3CHO(J17) //2-2 R[MBabs371]= 'CH3 CO C(CH3)=CH2' + OH ----> 'HOCH2C(CH3)(O2.) CO CH3' @ 4.62E 11* 0.7 ; // 2-2-1 ATKINSON 1995 R[MBabs372]= 'CH3 CO C(CH3)=CH2' + CL ----> 'CH3CO-C (CH3)(O2.) CH2 CL' @ 3.16E 10* 0.5 ; // 2-2-2 ATKINSON 1997 R[MBabs373]= 'CH3 CO C(CH3)=CH2' + OH ----> 'CH2(O2.) C(CH3)(OH) CO CH3' @ 4.62E 11* 0.3 ; // 2-2-3 ATKINSON 1995 R[MBabs374]= 'CH3 CO C(CH3)=CH2' + CL ----> 'CH3COC(CH3)(CL) CH 2O2.' @ 3.16E 10* 0.5 ; // 2-2-4 ATKINSON 1997 / /2-2-1 R[MBabs376]= 'HOCH2C(CH3)(O2.) CO CH3' + RO2 ----> 'HOCH2C(CH3)(OH) CO CH3' @ 9.2E 14 0.3 ; // 1-6-1 JENKIN 1997 R[MBabs377]= 'HOCH2C(CH3)(O2.) CO CH3' + RO2 ----> 'HOCH2C(CH3)(O.) CO CH3' @ 9.2E 14 0.7 ; // JENKIN 1997 R[MBabs378]= 'HOCH2C(CH3)(O.) CO CH3' ----> 'CH3COCOCH3' + 'H CO H' + HO2 @KDEC ; // 'CO(O2.) CH3' + 'HO CH2COCH3' (09/21/10) // R[MBabs403A]= 'HOCH2C(CH3)(O2.) CO CH3' + NO3 ----> 'HOCH2C(CH3)(O.) CO CH3' + NO2 @KRO2NO3 ; // MIPKAO2 R[MBabs404A]= 'HOCH2C(CH3)(O2.) CO CH3' + NO ----> 'HOCH2C(CH3)(O.) CO CH3' + NO2 @KRO2NO ; // MIPKAO2 R[MBabs405A]= 'HOCH2C(CH3)(O2.) CO CH3' + HO2 ----> 'HOCH2C(CH3)(OOH) CO CH3' @KRO2HO2* 0.706 ; // MIPKAO2 R[MBabs406A]= 'HOCH2C(CH3)(OOH) CO CH3' + OH ----> 'HOCH2C(CH3)(O2.) CO CH3' @ 4.98E 12 ; // MIPKAOOH R[MBabs407A]= 'HOCH2C(CH3)(OOH) CO CH3' + CL ----> 'HOCH2C(CH3)(O2.) CO CH3' + HCL @ 4.4E 11 ; // MIPKAOOH R[MBabs408A]= 'HOCH2C(CH3)(OOH) CO CH3' hv -> 'HOCH2C(CH3)(O.) CO CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs409A]= 'HOCH2C(CH3)(OOH) CO CH3' hv -> 'HOCH2C(CH3)(O.) CO CH3' + OH @j[HOCH2COCH3_to_CH3CO] ; // OHAcetone(j22) //2-2-2 R[MBabs380]= 'CH3COC(CH3)(O2.) CH2 CL' + RO2 ----> 'CLCH2C(CH3)(OH) CO CH3' @ 9.2E 14 0.3 ; // 2-3-4 JENKIN 1997 136 R[MBabs381]= 'CH3COC(CH3)(O2.) CH2 CL' + RO2 ----> 'CH3COC(CH3)(O.) CH2CL' @ 9.2E 14 0.7 ; // JENKIN 1997 R[MBabs382]= 'CH3COC(CH3)(O.) CH2CL' ----> 'CH3COCOCH3' + 'CL CH2O2.' @KDEC ; // // R[MBabs410A]= 'CH3COC(CH3)(O2.) CH2 CL' + NO3 ----> 'CH3COC(CH3)(O.) CH2CL' + NO2 @KRO2NO3 ; // MIPKAO2 R [MBabs411A]= 'CH3COC(CH3)(O2.) CH2 CL' + NO ----> 'CH3COC(CH3)(O.) CH2CL' + NO2 @KRO2NO ; // MIPKAO2 R[MBabs412A]= 'CH3COC(CH3)(O2.) CH2 CL' + HO2 ----> 'CLCH2C(CH3)(OOH) CO CH3' @KRO2HO2* 0.706 ; // MIPKAO2 R[MBabs413A]= 'CLCH2C(CH3)(OOH) CO CH3' + OH ----> 'CH3COC(CH3)(O2.) CH2 CL' @ 4.98E 12 ; // MIPKAOOH

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R[MBabs414A]= 'CLCH2C(CH3)(OOH) CO CH3' + CL ----> 'CH3COC(CH3)(O2.) CH2 CL' + HCL @ 4.4E 11 ; // MIPKAOOH R[MBabs415A]= 'CLCH2C(CH3)(OOH) CO CH3' hv -> CH3COC(CH3)(O.) CH2CL' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs416A]= 'CLCH2C(CH3)(OOH) CO CH3' hv -> 'CH3COC(CH3)(O.) CH2CL' + OH @j[HOCH2COCH3_to_CH3CO] ; // OHAcetone(j22) // CH2CLO2 'CL CH2 O2.' R[MBabs384]= 'CLCH2O2.' + RO2 ----> 'HOCH2CL' @ 2.00E 12 0.2 ; // R[MBabs385]= 'CLCH2O2.' + RO2 ----> 'CLCO H' @ 2.00E 12 0.2 ; // R[MBabs386]= 'CLCH2O2.' + RO2 ----> 'CLCH2O.' @ 2.00E 12 0.6 ; // R[MBabs387]= 'CLCH2O2.' + H O2 ----> 'HOOCH2 CL' @ 3.30E 13 *EXP( 820 /TK); // // R[MBabs417A]= 'CLCH2O2.' + NO ----> 'CLCH2O.'+ NO2 @ KRO2NO* 2.2 ; // R[MBabs418A]= 'CLCH2O2.' + NO3 ----> 'CLCH2O.'+ NO2 @ KRO2NO3 ; // // CH2CLOH R [MBabs389]= 'HOCH2CL' + OH ----> 'CLCO H' @ 1.08E 12 ; // R[MBabs390]= 'HOCH2CL' + CL ----> 'CLCO H' + HCL @ 3.65E 12 ; // // CHOCL R[MBabs392]= 'CLCO H' + OH ----> CO + CL @ 6.12E 12 ; // R[MBabs393]= 'CL-COH' + CL ----> CO + CL + HCL @ 1.2E 11 *EXP( 6776 / 8.314 /TK); // R[MBabs394]= 'CLCO H' hv -> HO2 + CO + CL @ j[HCHO_to_HO2] ; // HCHOR(j11) // CH2CLO R[MBabs396]= 'CLCH2O.' + O2 ----> 'CLCO H' + HO2 @ KROPRIM ; // // CH2CLOOH R[MBabs398]= 'HOOCH2 CL' + OH ----> 'CLCH2O2.' @ 1.90E 12 *EXP( 190 /TK) ; // R[MBabs399]= 'HOOCH2 CL' + OH ----> 'CLCO H' + OH @ 4.14E 12 ; // R[MBabs400]= 'HOOCH2 CL' + CL ----> 'CLCH2O2.' + HCL @ 4.4E 11 ; // R[MBabs401]= 'HOOCH2 CL' + CL ----> 'CLCO H' + OH + HCL @ 3.20E 11 ; // R[MBabs402]= 'HOOCH2 CL' hv -> 'CLCH2O.' + OH @ j[COOH_to_HO2] ; // COOH(j41) //BIACET CH3 CO CO CH3 R[MBabs404]= 'CH3COCOCH3' + OH ----> 'CH2(O2.) CO CO CH3' @ 1.40E 18 *TK^ 2 *EXP( 194/TK) ; // R[MBabs405]= 'CH3COCOCH3' + CL ----> 'CH2(O2.) CO CO CH3' + HCL @ 7.62E 13 ; // OLSSON ET AL (1996) R[MBabs406]= 'CH3COCOCH3' hv -> 2 'CO(O2.) CH3' @ j[CH3COCOCH3_to_CH3CO] ; // BIACETYL(J35) // BIACETO2 R[MBabs408]= 'CH2(O2.) CO CO CH3' + RO2 ----> 'CH2(O.) CO COCH3' @ 2.00E 12 0.6 ; // R[MBabs409]= 'CH2(O2.) CO CO CH3' + RO2 ----> 'H CO CO CO CH3' @ 2.00E 12 0.2 ; / / 100 R[MBabs410]= 'CH2(O2.) CO CO CH3' + RO2 ----> 'HOCH2COCOCH3' @ 2.00E 12 0.2 ; // R[MBabs411]= 'CH2(O2.) CO CO CH3' + HO2 ----> 'HOOCH2 CO COCH3' @ KRO2HO2* 0.625 ; // // R[MBabs419A]= CH2(O2.) CO CO CH3' + NO ----> 'CH2(O.) CO COCH3' + NO2 @KRO2NO ; // R[MBabs420A]= 'CH2(O2.) CO CO CH3' + NO3 ----> 'CH2(O.) CO COCH3' + NO2 @KRO2NO3 ; // R[MBabs421A]= 'HOOCH2 CO COCH3' + OH ----> 'CH2(O2.)-CO CO CH3' @ 1.90E 12*EXP( 190/TK) ; // R[MBabs422A]= 'HOOCH2 CO COCH3' + CL ----> 'CH2(O2.)-CO CO CH3' + HCL @ 4.4E 11 0.5 ; // R[MBabs423A]= 'HOOCH2 CO COCH3' + OH ----> 'H CO CO CO CH3' + OH @ 5.99E 12 ; // R[MBabs424A]= 'HOOCH2 CO COCH3' + CL ----> 'H CO CO CO CH3' + OH + HCL @ 4.4E 11 0.5 ; // R[MBabs425A]= 'HOOCH2 CO COCH3' hv -> 'CH2(O.) CO COCH3' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs426A]= 'HOOCH2 CO COCH3' hv -> 'CH2(O.) CO COCH3' + OH @j[CH3COCOCH3_to_CH3CO] ; // BIACETYL(J35) //BIACE TO R[MBabs413]= 'CH2(O.) CO COCH3' ----> 'CO(O2.) CH3' + 'H CO H' + CO @ KDEC ; // CO23C3CHO R [MBabs415]= 'H CO CO CO CH3' + OH ----> 'CO(O2.) CH3' + CO + CO @ 1.23E 11 ; // R[MBabs416]= 'H CO CO CO CH3' + CL ----> 'CO(O2.) CH3' + CO + CO + HCL @ 7.62E 13 ; // BIACETYL R[MBabs417]= 'H CO CO CO CH3' hv -> 'CO(O2.) CH3' + CO + CO + HO2 @ j[MGLY_to_HO2] ; // MGLYOX(J34) R[MBabs418]= 'H CO CO CO CH3' hv -> 'CO(O2.) CH3' + 'CO(O2.) CO H' @ j[CH3COCOCH3_to_CH3CO] ; // BIACETYL(J35) // HCOCO3 R[MBabs420]= 'CO(O2.) CO H' + RO2 ----> 'HOCO CO H' @ 1.00E 11 0.3 ; // R[MBabs421]= 'CO(O2.) CO H' + RO2 ----> CO + HO2 @ 1.00E 11 0.7 ; // R[MBabs422]= 'CO(O2. )CO H' + HO2 ----> 'HOCO CO H' + O3 @ KAPHO2* 0.29 ; //

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R[MBabs423]= 'CO(O2.) CO H' + HO2 ----> 'HOOCOCOH' @ KAPHO2* 0.71 ; // // R[MBabs427A]= 'CO(O2.) CO H' + NO3 ----> CO + HO2 + NO2 @ KRO2NO3* 1.6 ; // R[MBabs428A]= 'CO(O2.) CO H' + NO ----> CO + HO2 + NO2 @ KAPNO ; // R[MBabs429A]= 'CO(O2.) CO H' + NO2 ----> 'NO3-OCO CO H' @ KFPAN ; // R[MBabs430A]= 'NO3-OCO CO H' + OH ----> 2 *CO + NO2 @ 1.22E 11 ; // R[MBabs431A]= 'NO3-OCO CO H' + CL ----> 2 *CO + NO2 + HCL @ 7.6E 14 ; // R[MBabs432A]= 'NO3-OCO CO H' ----> 'CO(O2.) CO H' + NO2 @ KBPAN ; // // HCOCO2H R[MBabs425]= 'HOCO CO H' + OH ----> CO + HO2 @ 1.23E 11 ; // R[MBabs426]= 'HOCO CO H' + CL ----> CO + HO2 + HCL @ 1.64E 11 ; // R[MBabs427]= 'HOCO CO H' hv -> HO2 + HO2 + CO @ j[MGLY_to_HO2] ; // MGLYOX(J34) // HCOCO3H R[MBabs429]= 'HOOCOCO H' + OH ----> 'CO(O2.) CO H' @ 1.58E 11 ; // R[MBabs430]= 'HOOCOCOH' + CL ----> 'CO(O2.) CO H' + HCL @ 4.4E 11 ; // R[MBabs431]= 'HOOCOCOH' hv -> HO2 + CO + OH @ j[COOH_to_HO2] ; // COOH(j41) R[MBabs432]= 'HOOCOCOH' hv -> HO2 + CO + OH @ j[HOCH2CHO_to_RO2] ; // HOCH2CHO(J15) // BIACETOH R[MBabs434]= 'HOCH2COCOCH3' + OH ----> 'H CO CO CO CH3' + HO2 @ 2.69E 12 ; // R[MBabs435]= 'HOCH2COCOCH3' + CL ----> 'H CO CO CO CH3' + HO2 + HCL @ 4.94E 12; // ATKINSON 1997 R[MBabs436]= 'HOCH2COCOCH3' hv -> 'CO(O2.) CH3' + 'HO CH2 COO2.' @j[CH3COCOCH3_to_CH3CO] ; // BIACETYL(J35) // HOCH2CO3 R[MBabs438]= 'HOCH2COO2.' + RO2 ----> 'HOCO CH2OH' @ 1.00E 11 0.3 ; // R[MBabs439]= 'HOCH2COO2.' + HO2 ----> 'HOOCOCH2 OH' @ KAPHO2* 0.71 ; // R[MBabs440]= 'HOCH2COO2.' + HO2 ----> 'HOCO CH2OH' + O3 @ KAPHO2* 0.29 ; // R[MBabs441]= 'HOCH2COO2.' + RO2 ----> 'H CO H' + HO2 @ 1.00E 11 0.7 ; // // R[MBabs433A]= 'HOCH2COO2. + NO3 ----> 'H CO H' + HO2 + NO2 @KRO2NO3* 1.6 ; // R[MBabs434A]= 'HOCH2COO2.' + NO ----> 'H CO H' + HO2 + NO2 @KAPNO ; // R[MBabs435A]= 'HOCH2COO2.' + NO2 ----> 'HOCH2CO-ONO3' @KFPAN ; // R[MBabs436A]= 'HOCH2CO-ONO3' ----> 'HOCH2COO2.' + NO2 @KBPAN ; // R[MBabs437A]= 'HOCH2CO-ONO3' + OH ----> 'H CO H' + CO + NO2 @ 1.12E 12 ; // R[MBabs438A]= 'HOCH2CO-ONO3' + CL ----> 'H CO H' + CO + NO2 + HCL @ 3.8E 14 ; // // HOCH2CO2H R[MBabs443]= 'HOCO CH2OH' + OH ----> 'H CO CO H' + HO2 @ 2.73E 12 ; // R[MBabs444]= 'HOCO CH2OH' + CL ----> 'H CO CO H' + HO2 + HCL @ 3.8E 14 ; // // HOCH2CO3H R[MBabs446]= 'HOOCOCH2 OH' + OH ----> 'HOCH2COO2.' @ 6.19E 12 ; // R[MBabs447]= 'HOOCOCH2 OH' + CL ----> 'HOCH2COO2.' + HCL @ 4.4E 11 ; // R[MBabs448]= 'HOOCOCH2 OH' hv -> 'H CO H' + HO2 + OH @ j[COOH_to_HO2] ; // COOH(j41) // 2-2-3 R[MBabs450]= 'CH2(O2.) C(CH3)(OH) CO CH3' + RO2 ----> 'HOCH2C(CH3)(OH) CO CH3' @ 2.0E 12 0.2 ; // 2-2-1 MIBKAOHBO2 R[MBabs451]= 'CH2(O2.) C(CH3)(OH) CO CH3' + RO2 ----> 'H CO C(CH3)(OH) CO CH3' @ 2.0E 12 0.2 ; // 1-6-1-1 MIBKAOHBO2 R[MBabs452]= 'CH2(O2. )C(CH3)(OH) CO CH3' + RO2 ----> 'CH2(O.) C(CH3)(OH) CO CH3' @ 2.0E 12 0.6 ; // MIBKAOHBO2 R[MBabs453]= 'CH2(O.) C(CH3)(OH) CO CH3' ----> 'CH3COCOCH3' + 'H CO H' + H2O @KDEC ; // R[MBabs454]= 'CH2(O.) C(CH3)(OH) CO CH3' + HO2 ----> 'HOOCH2 C(CH3)(OH) CO CH3' @KRO2HO2* 0.770 ; // R[MBabs455]= HOOCH2 C(CH3)(OH) CO CH3' + OH ----> 'CH2(O2.) C(CH3)(OH) CO CH3' @ 1.90E 12*EXP( 190/TK) ; // R[MBabs456]= 'HOOCH2 C(CH3)(OH) CO CH3' + CL ----> 'CH2(O2.) C(CH3)(OH) CO CH3'+ H CL @ 4.4E 11 0.5 ; // R[MBabs457]= 'HOOCH2 C(CH3)(OH) CO CH3' + OH ----> 'H CO C(CH3)(OH) CO CH3' + OH @ 1.08E 11 ; // R[MBabs458]= 'HOOCH2 C(CH3)(OH) CO CH3' + CL ----> 'H CO C(CH3)(OH) CO CH3' + OH+ HCL @ 4.4E 11 0.5 ; // R[MBabs459]= 'HOOCH2 C(CH3)(OH) CO CH3' hv -> 'CH2(O.) C(CH3)(OH) CO CH3'+ OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs460]= 'HOOCH2 C(CH3)(OH) CO CH3' hv -> 'CH2(O.) C(CH3)(OH) CO CH3'+ OH @j[HOCH2COCH3_to_CH3CO] ; // OHAcetone(j22) // R[MBabs439A]= 'CH2(O2.) C(CH3)(OH) CO CH3' + NO3 ----> 'CH2(O.) C(CH3)(OH) CO CH3' + NO2 @KRO2NO3 ; // MIBKAOHBO2 R[MBabs440A]= 'CH2(O2.) C(CH3)(OH) CO CH3' + NO ----> 'CH2(O.) C(CH3)(OH) CO CH3' + NO2 @KRO2NO* 0.961 ; // MIBKAOHBO2 R[MBabs441A]= 'CH2(O2.) C(CH3)(OH)CO CH3' + NO ----> 'CH2(NO3) C(CH3)(OH) CO CH3' @KRO2NO* 0.039 ; // MIBKAOHBO2

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R[MBabs442A]= 'NO3CH2 C(CH3)(OH) CO CH3' + OH ----> 'H CO C(CH3)(OH) CO CH3' + NO2 @ 1.18E 12 ; // MIBKAOHNO3 R[MBabs443A]= 'NO3CH2 C(CH3)(OH) CO CH3' + CL ----> 'H CO C(CH3)(OH) CO CH3' + NO2 + HCL @ 2.97E 11 ; // MIBKAOHNO3 // 2-2-4 R[MBabs462]= 'CH3COC(CH3)(CL) CH2O2.' + RO2 ----> 'HOCH2C(CH3)(CL) CO CH3' @ 2.0E 12 0.2 ; // 1-6-3-1 R[MBabs463]= 'CH3COC(CH3)(CL) CH2O2.' + RO2 ----> 'H CO C(CH3)(CL) CO CH3' @ 2.0E 12 0.2 ; // 2-2-4-2 R[MBabs464]= 'CH3COC(CH3)(CL) CH2O2.' + RO2 ----> 'CH3COC(CH3)(CL) CH2O.' @ 2.0E 12 0.6 ; // R[MBabs465]= 'CH3COC(CH3)(CL) CH2O.' ----> 'CH3COC(CL)(O2.) CH 3' + 'H CO H' @KDEC ; // 1-6-3-1-1 // R[MBabs444A]= 'CH3COC(CH3)(CL) CH2O2.' + NO ----> 'CH3COC(CH3)(CL) CH2O.' + NO2 @KRO2NO ; // MIBKAOHBO2 R[MBabs445A]= 'CH3COC(CH3)(CL) CH2O2.' + NO3 ----> 'CH3COC(CH3)(CL) CH2O.' + NO2 @KRO2NO3 ; // MIBKAOHBO2 R[MBabs446A]= 'CH3COC(CH3)(CL) C H2O2.' + HO2 ----> 'HOOCH2 CO C(CH3)(CL) CH3' @KRO2HO2* 0.706 ; // MIBKAOHBO2 R[MBabs447A]= 'HOOCH2 CO C(CH3)(CL) CH3' + OH ----> 'CH3COC(CH3)(CL) CH2O2.' @ 1.08E 11 ; // MIBKAOHBO2 R[MBabs448A]= 'HOOCH2 CO C(CH3)(CL) CH3' + CL ----> 'CH3COC(CH3)(CL) CH2O2.' + HCL @ 4.4E 11 ; // MIBKAOHBO2 R[MBabs449A]= 'HOOCH2 CO C(CH3)(CL) CH3' hv -> 'CH3C(CL)(O2.) CH3' + OH @j[COOH_to_HO2]; // COOH(j41) // 2-2-4-2 R[MBabs467]= 'H CO C(CH3)(CL) CO CH3' + OH ----> 'CO(O2.) C(CH3)(CL) CO CH3' @ 2.26E 11 ; // 1-6-3-1 CO2C43CHO R[MBabs468]= 'H CO C(CH3)(CL) CO CH3' + CL ----> 'CO(O2.) C(CH3)(CL) CO CH3' + HCL @ 1.82E 11 ; // //2-3 R[MBabs470] = 'CH3CH(OH) C(CH3)=CH2' + OH ----> 'CH2(O2.) C(CH3)(OH) CH(OH) CH3' @ 8.2E 11 0.65 ; // ATKINSON 1995 R[MBabs471]= 'CH3CH(OH) C(CH3)=CH2' + CL ----> 'CH3CH(OH) C(CH3)(CL) CH2 O2.' @ 3.08E 10* 0.5 ; // 2-3-2 ATKINSON 1997 R[MBabs472]= 'CH3CH(OH) C(CH3)=CH2' + OH ----> 'HOCH2C(CH3)(O2.) CH(OH) CH3' @ 8.2E 11 0.35 ; // 1-6 ATKINSON 1995 R[MBabs473]= 'CH3CH(OH) C(CH3)=CH2' + CL ----> 'CH3CH(OH) C(CH3)(O2.) CH2 CL' @ 3.08E 10* 0.5 ; // 2-3-4 ATKINSON 1997 R[MBabs474]= 'CH2(O2. )C(CH3)(OH) CH(OH) CH3' + RO2 ----> 'HOCH2C(CH3)(OH) CH(OH) CH3' @ 2.00E 12* 0.2; // 1 -6-1 JENKIN 1997 R[MBabs475]= 'CH2(O2.) C(CH3)(OH) CH(OH) CH3' + RO2 ----> 'H CO C(CH3)(OH) CH(OH) CH3' @ 2.00E 12* 0.2; // 1 -5-1 JENKIN 1997 R[MBabs476]= CH2(O2.)-C(CH3)(OH) CH(OH) CH3' + RO2 ----> 'CH2(O.) C(CH3)(OH) CH(OH) CH3' @ 2.00E 12* 0.6; // 2 -3-1 JENKIN 1997 // R[MBabs450A]= 'CH2(O2.) C(CH3)(OH) CH(OH) CH3' + NO3 ----> 'CH2(O.) C(CH3)(OH) CH(OH) CH3' + NO2 @KRO2NO3 ; // C54O2 R[MBabs451A] = 'CH2(O2.) C(CH3)(OH) CH(OH) CH3' + NO ----> 'CH2(O.) C(CH3)(OH) CH(OH) CH3' + NO2 @KRO2NO* 0.99 ; // C54O2 R[MBabs452A]= 'CH2(O2.) C(CH3)(OH) CH(OH) CH3' + NO ----> 'NO3CH2 C(CH3)(OH) CH(OH) CH3' @KRO2NO* 0.01 ; // C54O2 R[MBabs453A]= 'CH2(O2.) C(CH3)(OH) CH(OH) CH3' + HO2 ----> 'HOOCH2 C(CH3)(OH) CH(OH) CH3' @KRO2HO2* 0.706 ; // C54O2 R[MBabs454A]= 'NO3CH2 C(CH3)(OH) CH(OH) CH3' + OH ----> 'H CO C(CH3)(OH) CH(OH) CH3' + NO2 @ 5.93E 12 ; // C54NO3 R[MBabs455A]= 'NO3CH2 C(CH3)(OH) CH(OH) CH3' + CL ----> 'H CO C(CH3)(OH) CH(OH) CH3' + NO2 + HCL @ 8.27E 11 ; // C54NO3 R[MBabs456A]= 'HOOCH2 C(CH3)(OH) CH(OH) CH3' + OH ----> 'H CO C(CH3)(OH) CH(OH) CH3' + OH @ 1.54E 11 ; // C54NOOH R[MBabs457A]= 'HOOCH2 C(CH3)(OH) CH(OH) CH3' + CL ----> 'H CO C(CH3)(OH) CH(OH) CH3' + OH + HCL @ 4.4E 10 0.5 ; // C54NOOH R[MBabs458A]= 'HOOCH2 C(CH3)(OH) CH(OH) CH3' + OH ----> 'CH2(O2.) C(CH3)(OH) CH(OH) CH3' @ 1.90E 12*EXP( 190/TK); // C54NOOH R[MBabs459A]= 'HOOCH2 C(CH3)(OH) CH(OH) CH3' + CL ----> 'CH2(O2.) C(CH3)(OH) CH(OH) CH3' + HCL @ 4.4E 11 0.5 ; // C54NOOH R[MBabs460A]= 'HOOCH2 C(CH3)(OH) CH(OH) CH3' hv-> 'CH2(O.) C(CH3)(OH) CH(OH) CH3' + OH @j[COOH_to_HO2] ; //COOH(j41) //2-3-1 R[MBabs478]= 'CH2(O.) C(CH3)(OH) CH(OH) CH3' ----> 'CH3CH(OH) COCH3' + 'H CO H' + HO2 @KDEC; // 2-3-2-2 88 //2-3-2 R[MBabs480]= 'CH3CH(OH) C(CH3)(CL) CH2 O2.' + RO2 ----> 'HOCH2C(CH3)(CL) CH(OH) CH3' @ 2.00E 12* 0.2; // 1 -6-31JEN KIN 1997 R[MBabs481]= 'CH3CH(OH) C(CH3)(CL) CH2 O2.' + RO2 ----> 'CH3CH(OH) C(CH3)(CL) COH' @ 2.00E 12* 0.2; // 2 -3-2 1JENKIN 1997 R[MBabs482]= 'CH3CH(OH) C(CH3)(CL) CH2 O2.' + RO2 ----> 'CH3CH(OH) C(CH3)(CL) CH2 O.' @ 2.00E 12* 0.6; // 2 -3-22JENKIN 1997 // R[MBabs461A]= 'CH3CH(OH) C(CH3)(CL) CH2 O2.' + NO3 ----> 'CH3CH(OH) C(CH3)(CL) CH2 O.' + NO2 @KRO2NO3 ; //C54O2 R[MBabs462A]= 'CH3CH(OH) C(CH3)(CL) CH2 O2.' + NO ----> 'CH3CH(OH) C(CH3)(CL) CH2 O.' + NO2 @KRO2NO* 0.99 ; //C54O2 R[MBabs463A]= 'CH3CH(OH) C(CH3)(CL) CH2 O2.' + NO ----> 'CH3CH(OH) C(CH3)(CL) CH2 NO3' @KRO2NO* 0.01 ; //C54O2 R[MBabs464A]= 'CH3CH(OH) C(CH3)(CL) CH2 O2.' + HO2 ----> 'HOOCH2 C(CH3)(CL) CH(OH) CH3' @KRO2HO2* 0.706 ; //C54O2 R[MBabs465A]= 'CH3CH(OH) C(CH3)(CL) CH2 NO3' + OH ----> 'CH3CH(OH) C(CH3)(CL) COH' + NO2 @ 5.93E 12 ; //C54NO3 R[MBabs466A]= 'CH3CH(OH) C(CH3)(CL) CH2 NO3' + CL ----> 'CH3CH(OH) C(CH3)(CL) COH' + NO2 + HCL @ 3.62E 11 ; //C54NO3 R[MBabs467A]= 'HOOCH2 C(CH3)(CL) CH(OH) CH3' + OH ----> 'CH3CH(OH) C(CH3)(CL) COH' + OH @ 1.54E 11 ; //C54OOH R[MBabs468A]= 'HOOCH2 C(CH3)(CL) CH(OH) CH3' + CL ----> 'CH3CH(OH) C(CH3)(CL) COH' + OH + HCL @ 4.4E 11 0.5 ; //C54OOH R[MBabs469A]= 'HOOCH2 C(CH3)(CL)CH(OH) CH3' + OH ----> 'CH3CH(OH) C(CH3)(CL) CH2 O2.' @ 1.90E 12*EXP( 190/TK) ; //C54OOH R[MBabs470A]= 'HOOCH2 C(CH3)(CL) CH(OH) CH3' + CL ----> 'CH3CH(OH) C(CH3)(CL) CH2 O2.' + HCL @ 4.4E 11 0.5 ; //C54OOH R[MBabs471A]= 'HOOCH2 C(CH3)(C L) CH(OH) CH3' hv -> 'CH3CH(OH) C(CH3)(CL) CH2 O.' + OH @j[COOH_to_HO2] ; // COOH(j41)

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// 2-3-2-1 R[MBabs484]= 'CH3CH(OH) C(CH3)(CL) COH' + OH ----> 'CH3CH(OH) C(CH3)(CL) COO2.' @ 1.10E 11 ; // R[MBabs485]= 'CH3CH(OH )C(CH3)(CL) COH' + CL ----> 'CH3CH(OH) C(CH3)(CL) COO2.' + HCL @ 4.81E 11 ; // R[MBabs486]= 'CH3CH(OH) C(CH3)(CL) COO2.' + RO2 ----> 'CH3CH(OH) C(CL)(O2.) CH3' + HO2 @ 1.00E 11 ; // 2-3-2-2 H13C43CO3 // R[MBabs472A]= 'CH3CH(OH) C(CH3)(CL)COO2.' + NO3 ----> 'CH3CH(OH) C(CL)(O2.) CH3' + NO2 + HO2 @KRO2NO3* 1.6 ; // H13C43CO3 R[MBabs473A]= 'CH3CH(OH) C(CH3)(CL) COO2.' + NO ----> 'CH3CH(OH) C(CL)(O2.) CH3' + NO2 + HO2 @KAPNO ; // H13C43CO3 R[MBabs474A]= 'CH3CH(OH) C(CH3)(CL) COO2.' + NO2 ----> 'CH3CH(OH) C(CH3)(CL) CO-ONO3' @KFPAN ; // H13C43CO3 R[MBabs475A]= 'CH3CH(OH) C(CH3)(CL) COO2.' + HO2 ----> 'HOOCOC(CH3)(CL) CH(OH) CH3' @KAPHO2 ; // H13C43CO3 R[MBabs476A]= 'CH3CH(OH) C(CH3)(CL) CO-ONO3' ----> 'CH3CH(OH) C(CH3)(CL) COO2.' + NO2 @KBPAN ; // H13C43NO3 R[MBabs477A]= 'CH3CH(OH) C(CH3)(CL) CO-ONO3' + OH ----> 'CH3CH(OH) C(CL)(O2.) CH3' + CO + NO2 @ 9.14E 12 ; // H13C43NO3 R[MBabs478A]= 'CH3CH(OH) C(CH3)(CL) CO-ONO3' + CL ----> 'CH3CH(OH) C(CL)(O2.) CH3' + CO + NO2 + HCL @ 3.63E 11 ; // H13C43NO3 check R[MBabs479A]= 'HOOCOC(CH3)(CL) CH(OH) CH3' + OH ----> 'CH3CH(OH) C(CL)(O2.) CH3' @ 1.27E 11 ; // H13C43CO3H R[MBabs480A]= 'HOOCOC(CH3)(CL) CH(OH) CH3' + CL ----> 'CH3CH(OH) C(CL)(O2.) CH3' + HCL @ 4.4E 11 ; // H13C43CO3H R[MBabs481A]= 'HOOCOC(CH3)(CL) CH(OH) CH3' hv -> 'CH3CH(OH) C(CL)(O2.) CH3'+ HO2 + OH @j[COOH_to_HO2] ; // COOH(j41) // 2-3-2-2 R[MBabs488]= 'CH3CH3(OH) C(CH3)(CL) CH2 -O .' ----> 'CH3CH(OH) C(CL)(O2.) CH3' + 'H CO H' @KDEC ; // JENKIN 1997 R[MBabs489]= 'CH3CH(OH) C(CL)(O2.) CH3' ----> 'CH3C(CL)(OH) CH(OH) CH3' @ 9.2E 14 0.3 ; // JENKIN 1997 R[MBabs490]= 'CH3CH(OH) C(CL)(O2.) CH3' + RO2 ----> 'CH3CH(OH) C(CL)(O.) CH3' @ 9.2E 14 0.7 ; // JENKIN 1997 R[MBabs491]= 'CH3CH(OH) C(CL)(O.) CH3' ----> 'CH3CH(OH) COCH3' + CL @KDEC ; // R[MBabs492]= 'CH3C(CL)(OH) CH(OH) CH3' + OH ----> 'CH3C(CL)(OH) COCH3' @ 3.10E 12 ; // ATKINSON 1995 R[MBabs493]= 'CH3C(CL)(OH) CH(OH) CH3' + CL ----> 'CH3C(CL)(OH) COCH3' + HCL @ 3.63E 11 ; // ATKINSON 1997 R[MBabs494]= 'CH3CH(OH) COCH3' + OH ----> 'CH3COCOCH3' + HO2 @ 5.86E 12 ; // R[MBabs495]= 'CH3CH(OH) COCH3' + CL ----> 'CH3COCOCH3' + HO2 + HCL @ 3.18E 11 ; // R[MBabs496]= 'CH3CH(OH) COCH3' hv -> 'H CO CH3' + 'CO(O2.) CH3' @j[HOCH2COCH3_to_CH3CO]; // OHAcetone(j22) // R[MBabs482A]= 'CH3CH(OH) C(CL)(O2.) CH3' + NO3 ----> 'CH3CH(OH) C(CL)(O.) CH3' + NO2 @KRO2NO3 ; // R[MBabs483A]= 'CH3CH(OH) C(CL)(O2.) CH3' + NO ----> 'CH3CH(OH) C(CL)(O.) CH3' + NO2 @KRO2NO ; // R[MBabs484A]= 'CH3CH(OH) C(CL)(O2.) CH3' + HO2 ----> 'CH3C(CL)(OOH) CH(OH)CH3' @KRO2HO2*0.706 ; // R[MBabs485A]= 'CH3C(CL)(OOH) CH(OH)CH3' + OH ----> 'CH3CH(OH) C(CL)(O2.) CH3' @ 1.90E 12*EXP( 190/TK) ; // BUT2OLOOH R[MBabs486A]= 'CH3C(CL)(OOH) CH(OH)CH3' + CL ----> 'CH3CH(OH) C(CL)(O2.) CH3' + HCL @ 4.4E 11 ; // BUT2 OLOOH R[MBabs487A]= 'CH3C(CL)(OOH) CH(OH)CH3' ----> 'CH3CH(OH) C(CL)(O.) CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) // 2-3-4 R[MBabs498]= 'CH3CH(OH) C(CH3)(O2.) CH2 CL' ----> 'CLCH2C(CH3)(OH) CH(OH) CH3' @ 9.2E 14 0.3 ; // JENKIN 1997 R[MBabs499]= 'CH3CH(OH) C(CH3)(O2.) CH2 CL' + RO2 ----> 'CH3CH(OH) C(CH3)(O.) CH2 CL' @ 9.2E 14 0.7 ; // JENKIN 1997 R[MBabs500]= 'CH3CH(OH) C(CH3)(O.) CH2 CL' ----> 'H CO CH3' + 'CL CH2CO CH3' + HO2 @KDEC* 0.5 ; // R [MBabs501]= 'CH3CH(OH) C(CH3)(O.) CH2 CL' ----> 'CH3CH(OH) COCH3' + 'CL CH2O2.' @KDEC* 0.5 ; // R[MBabs502]= 'CLCH2C(CH3)(OH) CH(OH)CH3' + OH ----> 'CLCH2C(CH3)(OH) CO CH3' + HO2 @ 8.63E 12 ; // C4ME3HO23 R[MBabs503]= 'CLCH2C(CH3)(OH) CH(OH)CH3' + CL ----> 'CLCH2C(CH3)(OH) CO CH3' + HO2 + HCL @ 8.84E 11 ; // R[MBabs504]= 'CLCH2C(CH3)(OH) CO CH3' + OH ----> 'CLCH2C(CH3)(O.) CO CH3' @ 1.38E 12 ; // MIPKAOH R[MBabs505]= 'CLCH2C(CH3)(OH) CO CH3' + CL ----> 'CLCH2C(CH3)(O.) CO CH3' + HCL @ 3.69E 11 ; // R[MBabs506]= 'CLCH2C(CH3)(O.) CO CH3' ----> 'CO(O2.) CH3' + 'CL CH2 COCH3' @KDEC ; // MIPKO // R[MBabs488A]= 'CH3CH(OH) C(CH3)(O2.) CH2 CL' + NO3 ---> 'CH3CH(OH) C(CH3)(O.) CH2 CL' + NO2 @KRO2NO3 ; // ME2BUOLO2 R[MBabs489A]= 'CH3CH(OH) C(CH3)(O2.) CH2 CL' + NO ----> 'CH3CH(OH) C(CH3)(O.) CH2 CL' + NO2 @KRO2NO* 0.981 ; // ME2BUOLO2 R[MBabs490A]= 'CH3CH(OH) C(CH3)(O2.) CH2 CL' + NO ----> 'CH3CH(OH) C(CH3)(NO3) CH2 CL' @KRO2NO* 0.019 ; // ME2BUOLO2 R[MBabs491A]= 'CH3CH(OH) C(CH3)(O2.) CH2 CL' + HO2 ----> 'CLCH2C(CH3)(OOH) CH(OH) CH3' @KRO2HO2* 0.706 ; // ME2BUOLO2 R[MBabs492A]= 'CH3CH(OH) C(CH3)(NO3) CH2 CL' + OH ----> 'H CO CH3' + 'CL CH2CO CH3' + NO2 @ 1.72E 12 ; // ME2BUOLNO3 R[MBabs493A]= 'CH3CH(OH) C(CH3)(NO3) CH2 CL' + CL ----> 'H CO CH3' + 'CL CH2CO CH3' + NO2 + HCL @ 3.24E 11 ; // ME2BUOLNO3 R[MBabs494A]= 'CLCH2C(CH3)(OOH) CH(OH) CH3' + OH ----> 'CH3CH(OH) C(CH3)(O2.) CH2 CL' @ 1.90E 12*EXP( 190/TK); //ME2BUOLOOH R[MBabs495A]= 'CLCH2C(CH3)(OOH) CH(OH) CH3' + CL ----> 'CH3CH(OH) C(CH3)(O2.) CH2 CL' + HCL @ 4.4E 11 ; //ME2BUOLOOH R[MBabs497A]= 'CLCH2C(CH3)(OOH) CH(OH) CH3' hv -> 'CH3CH(OH) C(CH3)(O.) CH2 CL' + OH @j[COOH_to_HO2] ; //COOH(j41)

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// CH2CLCOCH3 R[MBabs508]= 'CLCH2COCH3' + OH ----> 'CLCH(O2.) COCH3' @ 3.68E 13 ; // R[MBabs509]= 'CLCH2COCH3' + CL ----> 'CLCH(O2.) COCH3' + HCL @ 1.07E 12*(TK/ 298)^ 2.41 *EXP( 1 762/ 8.314/TK) ; //CHECK R[MBabs510]= 'CLCH2COCH3' hv -> 'CH3O2.' + 'CO(O2.)CH2CL' @j[HOCH2COCH3_to_CH3CO] ; // OHAcetone(j22) //CH3COCCLO2 R[MBabs512]= 'CLCH(O2.) COCH3' + RO2 ----> 'CLCH(O.) COCH3' @ 8.80E 13 ; // R[MBabs513]= 'CLCH(O2.) COCH3' + HO2 ----> 'HOOCH(CL) COCH3' @ 3.30E 13*EXP( 820/TK) ; // R[MBabs514]= 'CLCH(O.) COCH3' ----> 'CLCO H' + 'CO(O2.) CH3' @KDEC ; // // R[MBabs498A]= 'CLCH(O2.) COCH3' + NO3 ----> 'CL-C H(O.) COCH3' + NO2 @KRO2NO3 ; // R[MBabs499A]= 'CLCH(O2.) COCH3' + NO ----> 'CLCH(O.) COCH3' + NO2 @KRO2NO ; // //CH3COCLOOH R[MBabs516]= 'HOOCH(CL) COCH3' hv -> 'CLCH(O.) COCH3' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs517]= 'HOOCH(CL) COCH3' + OH ----> 'CLCH(O2.) COCH3' @ 8.34E 12 ; // R[MBabs518]= 'HOOCH(CL) COCH3' + CL ----> 'CLCH(O2.) COCH3' + HCL @ 4.4E 11 ; // //CLETO3 R[MBabs520]= 'CO(O2.) CH2CL' + RO2 ----> 'HOCO CH2CL' @ 1.00E 11* 0.30 ; // R[MBabs521]= 'CO(O2.) CH2CL' + RO2 ----> 'CLCH2O2.' @ 1.00E 11* 0.70 ; // R[MBabs522]= 'CO(O2.) CH2CL' + HO2 ----> 'HOCO CH2CL' + O3 @KAPHO2* 0.29 ; // R[MBabs523]= 'CO(O2.) CH2CL' + HO2 ----> 'HOOCOCH2 CL' @KAPHO2* 0.71 ; // // R[MBabs500A]= 'CO(O2.) CH2CL' + NO3 ----> 'CLCH2O2.' + NO2 @KRO2NO3* 1.6 ; // R[MBabs501A]= 'CO(O2.) CH2CL' + NO ----> 'CLCH2O2.' + NO2 @KAPNO ; // R[MBabs502A]= 'CO(O2.) CH2CL' + NO2 ----> 'NO3-OCO CH2CL' @KFPAN ; // R[MBabs503A]= 'NO3-OCO CH2CL'+ OH ----> 'CLCO H' + CO + NO2 @ 6.26E 13 ; // R[MBabs504A]= 'NO3-OCO CH2CL'+ CL ----> 'CLCO H' + CO + NO2 + HCL @ 5.7E 15 ; // R[MBabs505A]= 'NO3-OCO CH2CL' ----> 'CO(O2.) CH2CL'+ NO2 @KBPAN ; // // CLETO2H R[MBabs525]= 'HOCO CH2CL' + OH ----> 'CLCH2O2.' @ 1.90E 12*EXP( 190/TK) ; // R[MBabs526]= 'HOCO CH2CL' + CL ----> 'C LCH2O2.' + HCL @ 5.7E 15 ; // //CLETO3H R[MBabs528]= 'HOOCOCH2 CL' hv -> 'CLCH2O2.' + OH @j[COOH_to_HO2] ; // COOH(j41) R[MBabs529]= 'HOOCOCH2 CL' + OH ----> 'CO(O2.) CH2CL' @ 4.29E 12 ; // R[MBabs530]= 'HOOCOCH2 CL' + CL ----> 'CO(O2.) CH2CL' + HCL @ 4.4E 11 ; // //2-4 //R[MBabs532]= 'TRAN CH2(O.) C(CH3)=CH CH3' ----> 'H CO CH3' + 'CO(O2.) CH3' + 'H CO H' @KDEC ; // R[MBabs532]= 'TRAN CH2(O.) C(CH3)=CH CH3' + O2 ----> 'TRAN HOCH2C(CH3)=CH CH3' @KROPRIM ; // R[MBabs533]= 'TRAN HO CH2C(CH3)=CH CH3' + OH ----> 'HOCH2C(CH3)(O2.) CH(OH) CH3' @ 1.39E 10* 0.6; // 1 -6 ATKINSON 1995 R[MBabs534]= 'TRAN HO CH2C(CH3)=CH CH3' + OH ----> 'HOCH2C(CH3)(OH) CH(O2.) CH3' @ 1.39E 10* 0.4; // 1 -6-1 ATKINSON 1995 R[MBabs535]= 'TRAN HO CH2C(CH3)=CH CH3' + CL ----> 'HOCH2C(CH3)(O2.) CH(CL) CH3' @ 4.06E 11* 0.5; // 1 -6-2 ATKINSON 1997 R[MBabs536]= 'TRAN HO CH2C(CH3)=CH CH3' + CL ----> 'HOCH2-C (CH3)(CL) CH(O2.) CH3' @ 4.06E 11* 0.5; // 1 -6-3 ATKINSON 1997 // HOCH2CHO R[MBabs538]= 'HOCH2COH' + OH ----> 'HOCH2COO2.' @ 1.00E 11* 0.8 ; // R[MBabs539]= 'HOCH2COH' + OH ----> 'H CO CO H' +HO2 @ 1.00E 11* 0.2 ; // R[MBabs540]= 'HOCH2COH' + CL ----> 'HOCH2COO2.' + HCL @ 8.39E 11* 0.9 ; // 1987NIK/MAK2174 R[MBabs541]= 'HOCH2COH' + CL ----> 'H CO CO H' +HO2 + HCL @ 8.39E 11* 0.1 ; // R[MBabs542]= 'HOCH2COH' hv -> HO2 + 'H CO -H + HO2 + CO @j[HOCH2CHO_to_RO2] ; // HOCH2CHO(J15) //GLYOX R[MBabs544]= 'H CO CO H' hv -> CO + CO + HO2 @j[GLY_to_HO2] ; // Gly_HO2(J31) R[MBabs545]= 'H CO CO H' hv -> 'H CO H' + CO @j[GLY_to_HCHO] ; // Gly_HCHO(J32) R[MBabs546]= 'H CO CO H' hv -> 2 *(CO + HO2) @j[GLY_to_HO2] ; // Gly_HO2(J33) R[MBabs547]= 'H CO CO H' + OH ----> CO + CO + HO2 @ 1.14E 11* 0.6 ; // R[MBabs548]= 'H CO CO H' + OH ----> 'CO(O2.) CO H' @ 1.14E 11* 0.4 ; // R[MBabs549]= 'H CO CO H' + CL ----> CO + CO + HO2 + HCL @ 3.8E 11 0.6 ; // ; // 1985NIK/MAK547 R[MBabs550]= 'H CO CO H' + CL ----> 'CO(O2.) CO H' + HCL @ 3.8E 11 0.4 ; //

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// CLETAL R[MBabs552]= 'H CO CH2CL' + OH ----> 'CO(O2.) CH2CL' @ 2.09E 11 ; // R[MBabs553]= 'H CO CH2CL' + CL ----> 'CO(O2.) CH2CL' + HCL @ 3.2E 12 *(TK/ 298 )^1.42 *EXP(4030 / 8.314 /TK); //2005WAN/LIU329 339 R[MBabs554]= 'H CO CH2CL' hv -> 'CLCH2O2.' + HO2+CO @j[HCHO_to_HO2] ; // HCHOR(j11) // // CL ADDITION // A R[MBadd1]= 'CH3C(CH3)=CH CH3' + OH ----> 'CH3CH(OH) C(CH3)(O2.) CH3' @ 1.92E 11*EXP( 450/TK)* 0.647 ; // A1 R[MBadd2]= 'CH3C(CH3)=CH CH3' + OH ----> 'CH3C(CH3)(OH) CH(O2.) CH3' @ 1.92E 11*EXP( 450/TK)* 0.353 ; // A2 R[MBadd3]= 'CH3C(CH3)=CH CH3' + CL ----> 'CH3CH(CL) C(CH3)(O2.) CH3' @ 3.06E 10* 0.5 ; // A1 CL-= R[MBadd4]= 'CH3C(CH3)=CH CH3' + CL ----> 'CH3C(CH3)(CL) CH(O2.) CH3' @ 3.06E 10* 0.5 ; // CL-= //A1 R[MBadd6]= 'CH3CH(OH) C(CH3)(O2.) CH3' + RO2 ----> 'CH3C(CH3)(OH) CH(OH)CH3' @ 9.20E 14* 0.3 ; // A1 -1 R[MBadd7]= 'CH3CH(OH) C(CH3)(O2.) CH3' + RO2 ----> 'CH3CH(OH) C(CH3)(O.) CH3' @ 9.20E 14* 0 .7 ; // A1 -2 R[MBadd8]= 'CH3CH(OH) C(CH3)(O2.) CH3' + HO2 ----> 'CH3C(CH3)(OOH) CH(OH) CH3' @KRO2HO2* 0.706 ; // A1 -2 R[MBadd9]= 'CH3CH(CL) C(CH3)(O2.) CH3' + RO2 ----> 'CH3C(CH3)(OH) CH(CL)CH3' @ 9.20E 14* 0.3 ; // A1 -3 R[MBadd10]= 'CH3CH(CL) C(CH3)(O2.) CH3' + RO2 ----> 'CH3CH(CL) C(CH3)(O.) CH3' @ 9.20E 14* 0.7 ; // R[MBadd11]= 'CH3CH(CL) C(CH3)(O2.) CH3' + HO2 ----> 'CH3C(CH3)(OOH) CH(CL) CH3' @KRO2HO2* 0.706 ; // A1 -4 R[MBadd12]= 'CH3CH(CL) C(CH3)(O.) CH3' ----> 'CH3COCH3' + 'CL CH(O2.) CH3' @KDEC ; // //A1 10 R[MBaddA12]= 'CH3CH(OH) C(CH3)(O2.) CH3' + NO ----> 'CH2CH(OH) C(CH3)(NO3) CH3' @KRO2NO* 0.019 ; // R[MBaddA13]= 'CH3CH(OH) C(CH3)(O2.) CH3' + NO ----> 'CH3CH(OH) C(CH3)(O.) CH3' + NO2 @KRO2NO* 0.981 ; // R[MBaddA14]= 'CH3CH(OH) C(CH3)(O2.) CH3' + NO3 ----> 'CH3CH(OH) C(CH3)(O.) CH3' + NO2 @KRO2NO3 ; // R[MBaddA15]= 'CH3CH(CL) C(CH3)(O2.) CH3' + NO ----> 'CH2CH(CL) C(CH3)(NO3) CH3' @KRO2NO* 0.019 ; // R [MBaddA16] = 'CH3CH(CL) C(CH3)(O2.) CH3' + NO ----> 'CH3CH(CL) C(CH3)(O.) CH3' + NO2 @KRO2NO* 0.981 ; // R[MBaddA17]= 'CH3CH(CL) C(CH3)(O2.) CH3' + NO3 ----> 'CH3CH(CL) C(CH3)(O.) CH3' + NO2 @KRO2NO3 ; // //A1-1 R[MBadd14]= 'CH3C(CH3)(OH) CH(OH)CH3' + OH ----> 'CH3C(CH3)(OH) CO CH3' + HO2 @ 8.63E 12 ; // R[MBadd15]= 'CH3C(CH3)(OH) CH(OH)CH3' + CL ----> 'CH3C(CH3)(OH) CO CH3' + HO2 + HCL @ 1.10E 10 ; // R[MBadd16]= 'CH3C(CH3)(OH) CO CH3' + OH ----> 'CH3COC(CH3)(O.) CH3' @ 1.38E 12 ; // R[MBadd17]= 'CH3C(CH3)(OH) CO CH3' + CL ----> 'CH3COC(CH3)(O.) CH3' + HCL @ 5.74E 11 ; // R[MBadd18]= 'CH3COC(CH3)(O.) CH3' ----> 'CH3COCH3' + 'CO(O2.) CH3' @KDEC ; // //A1-2 R[MBadd20]= 'CH3CH(OH) C(CH3)(O.) CH3' ----> 'CH3COCH3' + 'H COCH3' + HO2 @KDEC* 0.7 ; // R[MBadd20B]= 'CH3CH(OH) C(CH3)(O.) CH3' ----> 'CH3CH(OH) COCH3' + 'CH3O2.' @KDEC* 0.3 ; // R[MBadd21]= 'CH3C(CH3)(OOH) CH(OH) CH3' + OH --> 'CH3CH(OH) C(CH3)(O2.) CH3' @ 1.90E 12*EXP( 190/TK) ; // R[MBadd22]= 'CH3C(CH3)(OOH) CH(OH) CH3' + CL ----> 'CH3CH(OH) C(CH3)(O2.) CH3' + HCL @ 4.4E 11 ; // R[MBadd23]= 'CH3C(CH3)(OOH) CH(OH) CH3' hv -> 'CH3CH(OH) C(CH3)(O.) CH3' @j[COOH_to_HO2] ; // A1 -2-1 COOH(j41) R[MBadd24]= 'CH3C(CH3)(OOH) CH(OH) CH3' + OH ----> 'CH3C(CH3)(OOH) CO CH3' @ 8.85E 12 ; // R[MBadd25]= 'CH3C(CH3)(OOH) CH(OH) CH3' + CL ----> 'CH3C(CH3)(OOH) CO CH3' + HCL @ 1.10E 10 ; // ATKINSON 19 97 //A1-2-1 R[MBadd27]= 'CH3C(CH3)(OOH) CO CH3' + OH ----> 'CH3COC(CH3)(O2.) CH3' @ 4.98E 12 ; // R[MBadd28]= 'CH3C(CH3)(OOH) CO CH3' + CL ----> 'CH3COC(CH3)(O2.) CH3' + HCL @ 4.4E 11 ; // R[MBadd29]= 'CH3C(CH3)(OOH) CO CH3' hv -> 'CH3COC(CH3)(O.) CH3' @j[COOH_to_HO2] ; // A1 -1 COOH(j41) R[MBadd30]= 'CH3C(CH3)(OOH) CO CH3' hv -> 'CH3COC(CH3)(O.) CH3' @j[HOCH2COCH3_to_CH3CO] ; // A1 -1 OHAcetone(j22) R[MBadd31]= 'CH3COC(CH3)(O2.) CH3' + RO2 ----> 'CH3C(CH3)(OH) CO CH3' @ 9.20E 14* 0.3 ; // A1 -1 R[MBadd32]= 'CH3COC(CH3)(O2.) CH3' + RO2 ----> 'CH3COC(CH3)(O.) CH3' @ 9.20E 14* 0.7 ; // A1 -1 R[MBadd33]= 'CH3COC(CH3)(O2.) CH3' + HO2 ----> 'CH3C(CH3)(OOH) CO CH3' @KRO2HO2* 0.706 ; // //A1 -210 R[MBaddA18]= 'CH3COC(CH3)(O2.) CH3' + NO ----> 'CH3COC(CH3)(O.) CH3' + NO2 @KRO2NO ; // R[MBaddA19]= 'CH3COC(CH3)(O2.) CH3' + NO3 ----> 'CH3COC(CH3)(O.) CH3' + NO2 @KRO2NO3 ; // //A1-3 R[MBadd35]= 'CH3C(CH3)(OH) CH(CL)CH3' + OH ----> 'CH3C(CH3)(OH) C(CL)(O2.) CH3' @ 9.50E 13 ; // ATKINSON 1995 R[MBadd36]= 'CH3C(CH3)(OH) CH(CL)CH3' + CL ----> 'CH3C(CH3)(OH) C(CL)(O2.) CH3' + HCL @ 1.37E 10 ; // R[MBadd37]= CH3C(CH3)(OH) C(CL)(O2.) CH3' + RO2 ----> 'CH3C(CL)(OH) C(CH3)(OH) CH3' @ 2.0E 12 0.3 ; // JENKIN 1997

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R[MBadd38]= 'CH3C(CH3)(OH) C(CL)(O2.) CH3' + RO2 ----> 'CH3C(CH3)(OH) C(CL)(O.)CH3' @ 2.0E 12 0.7 ; // JENKIN 1997 R[MBadd39]= 'CH3C(CH3)(OH) C(CL)(O.)CH3' ----> 'CH3COCH3' + 'CL CO CH3' @KDEC ; // JENKIN 1997 R[MBadd40]= 'CH3C(CL)(OH) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) C(CL)(O.)CH3' @ 1.38E 12 ; // MIPKAOH R[MBadd41]= 'CH3C(CL)(OH) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) C(CL)(O.)CH3' + HCL @ 5.96E 11 ; // // A1 30 R[MBaddA38]= 'CH3C(CH3)(OH) C(CL)(O2.) CH3' + NO ----> 'CH3C(CH3)(OH) C(CL)(O.)CH3' + NO2 @KRO2NO ; // R[MBaddA39]= 'CH3C(CH3)(OH) C(CL)(O2.) CH3' + NO3 ----> 'CH3C(CH3)(OH) C(CL)(O.)CH3' + NO2 @KRO2NO3 ; // //A1-4 R[MBadd43]= 'CH3C(CH3)(OOH) CH(CL) CH3' + OH ----> 'CH3CH(CL) C(CH3)(O2.) CH3' @ 1.90E 12*EXP( 190/TK) ; // A1 R[MBadd44]= 'CH3C(CH3)(OOH) CH(CL) CH3' + CL ----> 'CH3CH(CL) C(CH3)(O2.) CH3' + HCL @ 4.4E 11 ; // A1 //A2 R[MBadd46]= 'CH3C(CH3)(OH) CH(O2.) CH3' + RO2 ----> 'CH3C(CH3)(OH) CH(OH)CH3' @ 8.80E 13* 0.20 ; // A1 -1 R[MBadd47]= 'CH3C(CH3)(OH) CH(O2.) CH3' + RO2 ----> 'CH3C(CH3)(OH) CO CH3' @ 8 .80 E13* 0.20 ; // A1 -1 R[MBadd48]= 'CH3C(CH3)(OH) CH(O2.) CH3' + RO2 ----> 'CH3C(CH3)(OH) CH(O.)CH3' @ 8.80E 13* 0.60 ; // A2 -1 R[MBadd49]= 'CH3C(CH3)(OH) CH(O2.) CH3' + HO2 ----> 'CH3CH(OOH) C(CH3)(OH) CH3' @KRO2HO2* 0.706 ; // A2 -1 R[MBadd50]= 'CH3C(CH3)(CL) CH(O2.) CH3' + RO2 ----> 'CH3CH(OH) C(CH3)(CL) CH3' @ 8.80E 13* 0.20 ; // R[MBadd51]= 'CH3C(CH3)(CL) CH(O2.) CH3' + RO2 ----> 'CH3COC(CH3)(CL) CH3' @ 8.80E 13* 0.20 ; // R[MBadd52]= 'CH3C(CH3)(CL) CH(O2.) CH3' + RO2 ----> 'CH3C(CH3)(CL) CH(O.)CH3' @ 8.80E 13* 0.60 ; // R[MBadd53]= 'CH3C(CH3)(CL) CH(O2.) CH3' + HO2 ----> 'CH3CH(OOH) C(CH3)(CL) CH3' @KRO2HO2* 0.706 ; // // A2 10 R[MBaddA53]= 'CH3C(CH3)(OH) CH(O2.) CH3' + NO ----> 'CH3C(CH3)(OH) CH(NO3) CH3' @KRO2NO* 0.062 ; // R[MBaddA54]= 'CH3C(CH3)(OH) CH(O2.) CH3' + NO ----> 'CH3C(CH3)(OH) CH(O.)CH3' + NO2 @KRO2NO* 0.938 ; // R[MBaddA55]= 'CH3C(CH3)(OH) CH(O2.) CH3' + NO3 ----> 'CH3C(CH3)(OH) CH(O.)CH3' + NO2 @KRO2NO3 ; // R[MBaddA56]= 'CH3C(CH3)(CL) CH(O2.) CH3' + NO ----> 'CH3C(CH3)(CL) CH(NO3) CH3' @KRO2NO* 0.062 ; // R [MBaddA57]= 'CH3C(CH3)(CL) CH(O2.) CH3' + NO ----> 'CH3C(CH3)(CL) CH(O.)CH3' + NO2 @KRO2NO* 0.938 ; // R[MBaddA58]= 'CH3C(CH3)(CL) CH(O2.) CH3' + NO3 ----> 'CH3C(CH3)(CL) CH(O.)CH3' + NO2 @KRO2NO3 ; // //A2-1 R[MBadd55]= 'CH3C(CH3)(OH) CH(O.)CH3' ----> 'H CO CH3' + 'CH3 COCH3' @ 2.70E+14 *EXP( 6643 /TK) ; // R[MBadd56]= 'CH3C(CH3)(OH) CH(O.)CH3' + O2 ----> 'CH3C(CH3)(OH) CO CH3' @KROSEC ; // A1 -1 R[MBadd57]= 'CH3CH(OOH) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CH(O2.) CH3' @ 1.90E 12*EXP( 190/TK) ; // A2 R[MBadd58]= 'CH3CH(OOH) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CH(O2.) CH3' + HCL @ 4.4E 11 0.5 ; // A2 R[MBadd59]= 'CH3CH(OOH) C(CH3)(OH) CH3' + OH ----> 'CH3C(CH3)(OH) CO CH3' + OH @ 2.07E 11 ; // A1 -1 R[MBadd60]= 'CH3CH(OOH) C(CH3)(OH) CH3' + CL ----> 'CH3C(CH3)(OH) CO CH3' + OH + HCL @ 4.4E 11 0.5 ; // A1-1 R[MBadd61]= 'CH3CH(OOH) C(CH3)(OH) CH3' hv -> 'CH3C(CH3)(OH) CH(O.)CH3' + OH @j[COOH_to_HO2]; // COOH(j41) //A2-2 R[MBadd63]= 'CH3CH(OH) C(CH3)(CL) CH3' + OH ----> 'CH3COC(CH3)(CL) CH3' @ 8.63E 12 ; // 2-2-1 R[MBadd64]= 'CH3CH(OH) C(CH3)(CL) CH3' + CL ----> 'CH3COC(CH3)(CL) CH3' + HCL @ 4.06E 11 ; // 2-2-1 R[MBadd65]= 'CH3C(CH3)(CL) CH(O.)CH3' ----> 'H CO CH3' + 'CH3 C(CL)(O2.) CH3' @KDEC ; // 1-2-3 R[MBadd66]= 'CH3CH(OOH) C(CH3)(CL) CH3' + OH ----> 'CH3C(CH3)(CL) CH(O2.) CH3' @ 1.90E 12*EXP( 190/TK) ; // A2 R[MBadd67]= 'CH3CH(OOH) C(CH3)(CL) CH3' + CL ----> 'CH3C(CH3)(CL) CH(O2.) CH3' + HCL @ 4.4E 11 0.5 ; // A2 R[MBadd68]= 'CH3CH(OOH) C(CH3)(CL) CH3' + OH ----> 'CH3C(CH3)(CL) CO CH3' @ 2.07E 11 ; // R[MBadd69]= 'CH3CH(OOH) C(CH3)(CL) CH3' + CL ----> 'CH3C(CH3)(CL) CO CH3' + HCL @ 4.4E 11 0.5 ; // R[MBadd70]= 'CH3CH(OOH) C(CH3)(CL) CH3' hv -> 'CH3C(CH3)(CL) CH(O.)CH3' @j[COOH_to_HO2]; // COOH(j41) //A2-2-1 R[MBadd72]= 'CH3COC(CH3)(CL) CH3' + OH ----> 'CH2(O2.)-CO C(CH3)(CL) CH3' @ 1.00E 13 ; // R[MBadd73]= 'CH3COC(CH3)(CL) CH3' + CL ----> 'CH2(O2.)-CO C(CH3)(CL) CH3' + HCL @ 2.1E 12 ; // R [MBadd74]= 'CH3COC(CH3)(CL) CH3' + OH ----> 'CH3COC(CH3)(CL) CH2O2.' @ 1.00E 13 ; // 2-2-4 R[MBadd75]= 'CH3COC(CH3)(CL) CH3' + CL ----> 'CH3COC(CH3)(CL) CH2O2.' + HCL @ 4.34E 12 ; // 2-2-4 R[MBadd76]= 'CH2(O2.) CO C(CH3)(CL) CH3' + RO2 ----> 'HOCH2COC(CH3)(CL) CH3' @ 2.0E 12 0.2 ; // 1-2-3-1 R[MBadd77]= 'CH2(O2.) CO C(CH3)(CL) CH3' + RO2 ----> 'H CO CO C(CH3)(CL) CH3' @ 2.0E 12 0.2 ; // 1-2-3-1 R[MBadd78]= 'CH2(O2.) CO C(CH3)(CL) CH3' + RO2 ----> 'CH3C(CL)(O2.) CH3' @ 2.0E 12 0.6 ; // 1-2-3 // ACETONE R[MBadd83]= 'CH3COCH3' + OH ----> 'CH2(O2.) CO CH3' @ 5.34E 18 *TK^ 2 *EXP( 230 /TK) ; // R[MBadd84]= 'CH3COCH3' + CL ----> 'CH2(O2.) CO CH3' + HCL @ 3.5E 12 ; // pitts R[MBadd85]= 'CH3COCH3' hv -> 'CO(O2.) CH3' + 'CH3 O2.' @ j[CH3COCH3_to_CH3CO] ; // ACETONE(J21) // H3COCH2O2

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R[MBadd87]= 'CH2(O2.) CO CH3' + RO2 ----> 'H CO CO CH3' @ 2.00E 12 0.2 ; // R[MBadd88]= 'CH2(O2.) CO CH3' + RO2 ----> 'HO-C H2COCH3' @ 2.00E 12 0.2 ; // R[MBadd89]= 'CH2(O2.) CO CH3' + RO2 ----> 'CH2(O.) CO CH3' @ 2.00E 12 0.6 ; // R[MBadd90]= 'CH2(O2.) CO CH3' + HO2 ----> 'HOOCH2 CO CH3' @ 1.36E 13 *EXP( 1250 /TK) ; // // CH3COCH2O R[MBadd92]= 'CH2(O.) CO CH3' ----> 'CO(O2.) CH3' + 'H CO H' @ KDEC ; // // HYPERACET R[MBadd94]= 'HOOCH2 CO CH3' + OH ----> 'CH2(O2.) CO CH3' @ 1.90E 12 *EXP(190 /TK) ; // R[MBadd95]= 'HOOCH2 CO CH3' + CL ----> 'CH2(O2.)CO CH3' + HCL @ 4.4E 11 0.5 ; // R[MBadd96]= 'HOOCH2 CO CH3' + OH ----> 'H CO CO CH3' + OH @ 8.39E 12 ; // R[MBadd97]= 'HOOCH2 CO CH3' + CL ----> 'H CO CO CH3' + OH + HCL @ 4.4E 11 0.5 ; // R[MBadd98]= 'HOOCH2 -COCH3' hv -> 'CH2(O.) CO CH3' + OH @ j[COOH_to_HO2] ; // COOH(j41) R[MBadd99]= 'HOOCH2 CO CH3' hv -> 'CO(O2.) CH3' + 'H CO H' + OH @ j[HOCH2COCH3_to_CH3CO] ; // OHAcetone(j22) // additional Nox and zone reaction R[NoxOzne1]= 'CH3C(CH3)=CH CH3' + NO3 ----> 'CH3C(CH3)(O2.) CH(NO3) CH3' @ 9.37E 12* 0.65 ; // ME2BUTENE R[NoxOzne2]= 'CH3C(CH3)=CH CH3' + NO3 ----> 'CH3C(CH3)(NO3) CH(O2.) CH3' @ 9.37E 12* 0.35 ; // ME2BUTENE R[NoxOzne3]= 'CH3C(CH3)=CH CH3' + O3 ----> CH3COCH3' + 'H C(=O O)CH3' @ 6.51E 15*EXP( 829/TK)* 0.50 ; // ME2BUTENE R[NoxOzne4]= 'CH3C(CH3)=CH CH3' + O3 ----> 'H CO CH3' + 'CH3 C(=O O)CH3' @ 6.51E 15*EXP( 829/TK)* 0.50 ; // ME2BUTENE // C4M2NO33O2 R[NoxOzne6]= 'CH3C(CH3)(O2. )CH(NO3)CH3' + RO2 ----> 'CH3C(CH3)(O.) CH(NO3) CH3' @ 6.70E 15* 0.7 ; // R[NoxOzne7]= 'CH3C(CH3)(O2.) CH(NO3)CH3' + RO2 ----> 'CH3C(CH3)(OH) CH(NO3) CH3' @ 6.70E 15* 0.3 ; // R[NoxOzne8]= 'CH3C(CH3)(O2.) CH(NO3)CH3' + NO ----> 'CH 3C(CH3)(O.) CH(NO3) CH3' + NO2 @KRO2NO ; // R[NoxOzne9]= 'CH3C(CH3)(O2.) CH(NO3) CH3' + HO2 ----> 'CH3C(CH3)(OOH) CH(NO3) CH3' @KRO2HO2* 0.706 ; // R[NoxOzne10]= 'CH3C(CH3)(O2.) CH(NO3) CH3' + NO3 ----> 'CH3C(CH3)(O.) CH(NO3) CH3' + NO2 @KRO2NO3 ; // // C4M2NO33O R[NoxOzne12]= 'CH3C(CH3)(O.) CH(NO3) CH3' ----> 'H CO CH3' + 'CH3 COCH3' + NO2 @KDEC ; // M2BU2OLNO3 R[NoxOzne14]= 'CH3C(CH3)(OH) CH(NO3) CH3' + OH ----> 'CH3C(CH3)(OH) CO CH3' + NO2 @ 5.97E 13 ; // R[NoxOzne15]= 'CH3C(CH3)(OH) CH(NO3) CH3' + CL ----> 'CH3C(CH3)(OH) CO CH3' + NO2 + HCL @ 5.89E 11 ; // // C4M2NO3OOH R[NoxOzne17]= 'CH3C(CH3)(OOH) CH(NO3) CH3' hv -> 'CH3C(CH3)(O.) CH(NO3) CH3' + OH @j[COOH_to_HO2] ; // COOH(j41) R[NoxOzne18]= 'CH3C(CH3)(OOH) CH(NO3) CH3' + OH ----> 'CH3C(CH3)(O2.) CH(NO3) CH3' @ 4.06E 12 ; // R[noxozne19]= 'CH3C(CH3)(OOH) CH(NO3) CH3' + CL ----> 'CH3C(CH3)(O2.) CH(NO3) CH3' + HCL @ 4.4E 11 ; // //C4M2NO32O 2 R[noxozne21]= 'CH3C(CH3)(NO3) CH(O2.) CH3' + RO2 ----> 'CH3C(CH3)(NO3) CH(O.) CH3' @ 8.80E 13* 0.6 ; R [noxozne22]= 'CH3C(CH3)(NO3) CH(O2.) CH3' + RO2 ----> 'CH3COC(CH3)(NO3) CH3' @ 8.80E 13* 0.2 ; R[noxozne23]= 'CH3C(CH3)(NO 3) CH(O2.) CH3' + RO2 ----> 'CH3CH(OH) C(CH3)(NO3) CH3' @ 8.80E 13* 0.2 ; R[noxozne24]= 'CH3C(CH3)(NO3) CH(O2.) CH3' + NO ----> 'CH3C(CH3)(NO3) CH(O.) CH3' + NO2 @KRO2NO ; R[noxozne25]= 'CH3C(CH3)(NO3) CH(O2.) CH3' + HO2 ----> 'CH3CH(OO H) C(CH3)(NO3) CH3' @KRO2HO2* 0.706 ; R[noxozne26]= 'CH3C(CH3)(NO3) CH(O2.) CH3' + NO3 ----> 'CH3C(CH3)(NO3) CH(O.) CH3' + NO2 @KRO2NO3 ; //C4M2NO32O R[noxozne28]= 'CH3C(CH3)(NO3) CH(O.) CH3' + O2 ----> 'CH3COC(CH3)(NO3) CH3' + HO2 @KROSEC ; R[noxozne29]= 'CH3C(CH3)(NO3) CH(O.) CH3' ----> 'CH3COCH3' + 'H COCH3' + NO2 @ 4.00E+04 ; //C4M2NO3ONE R[noxozne31]= 'CH3COC(CH3)(NO3) CH3' + OH ----> 'CH3COC(CH3)(NO3) CH2 O2.' @ 3.41E 13 ; R[noxozne32]= 'CH3COC(CH3)(NO3) CH3' + CL ----> 'CH3COC(CH3)(NO3) CH2 O2.' + HCL @ 6.44E 12 ; // R[noxozne33]= 'CH3COC(CH3)(NO3) CH3' hv -> 'CH3COC(CH3)(O.) CH3' + NO2 @ j[CH3CHNO3COCH3_to_NO2]; // 3butanoneNO3(j56) R[noxozne34]= 'CH3COC(CH3)(NO3)CH3' hv -> 'CO(O2.) CH3' + 'CH3 CO CH3' + NO2 @j[CH3CHNO3COCH3_to_NO2]; // 3butanoneNO3(j57) //MC4CONO3O2 R[noxozne36]= 'CH3COC(CH3)(NO3) CH3 O2.' + RO2 ----> 'CH3COC(CH3)(NO3) CH2 O.' @ 2.00E 12 ; R[noxozne37]= 'CH3COC(CH3)(NO3) CH3 O2.' + NO ----> 'CH3COC(CH3)(NO3) CH2 O.' + NO2 @KRO2NO ; R[noxozne38]= 'CH3COC(CH3)(NO3) CH3 O2.' + HO2 ----> 'CH3COC(CH2(OOH))(NO3) CH3' @KRO2HO2* 0.706 ; R[noxozne39]= 'CH3COC(CH3)(NO3) CH3 O2.' + NO3 ----> CH3COC(CH3)(NO3) CH2 O.' + NO2 @KRO2NO3 ; //MC4CONO3O R[noxozne41]= 'CH3COC(CH3)(NO3) CH3 O.' + O2 ----> 'CH3COC(CH3)(NO3) CO H' + HO2 @KROPRIM ; R[noxozne42]= 'CH3COC(CH3)(NO3) CH3 O.' ----> 'CH3COCOCH3' + 'H CO -H + NO2 @ 4.00E+04 ;

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//C4M22CONO3 R[noxozne44]= 'CH3COC(CH3)(NO3) CO H' + OH ----> 'H CO CO CH3' + 'CO(O2.) CH3' + NO2 @ 1.51E 11 ; R[noxozne45]= 'CH3COC(CH3)(NO3) CO H' + CL ----> 'H CO CO CH3' + 'CO(O2.) CH3' + NO2 + HCL @ 8.0E 12 ; // R[noxozne46]= 'CH3COC(CH3)(NO3) CO H' hv -> 'H CO CO CH3' + 'CO(O2.) CH3' + NO2 @j[CH3CHNO3COCH3_to_NO2]; // 3butanoneNO3(j56) R[noxozne47]= 'CH3COC(CH3)(NO3) CO H' hv -> 'H CO CO CH3' + 'CO(O2.) CH3' + NO2 @j[CH3CHNO3COCH3_to_NO2]; // 3butanoneNO3(j57) //C4MCNO3OOH R[noxozne49]= 'HOOCH2 C(CH3)(NO3) CO CH3' + OH ----> 'CH3COC(CH3)(NO3) CH2 O2.' @ 1.90E 12*EXP( 190/TK) ; R[noxozne50]= 'HOOCH2 C(CH3)(NO3) CO CH3' + CL ----> 'CH3COC(CH3)(NO3) CH2 O2.' + HCL @ 4.4E 11 0.5 ; R[noxozne51]= 'HOOCH2 C(CH3)(NO3) CO CH3' + OH ----> 'CH3COC(CH3)(NO3) CO H' + OH @ 7.13E 12 ; R[noxozne52]= 'HOOCH2 C(CH3)(NO3) CO CH3' + CL ----> 'CH3COC(CH3)(NO3) CO H' + OH + HCL @ 4.4E 11 0.5 ; R[noxozne53]= 'HOOCH2 C(CH3)(NO3) CO CH3' hv -> 'CH3COC(CH3)(NO3) CH2 O.' + OH @ j[COOH_to_HO2] ; //COOH(j41) //ME2BUOLNO3 R[noxozne55]= 'CH3CH(OH) C(CH3)(NO3) CH3' + OH ----> 'H CO CH3' + 'CH3 COCH3' + NO2 @ 1.72E 12; R[noxozne56] = 'CH3CH(OH) C(CH3)(NO3) CH3' + CL ----> 'H CO CH3' + 'CH3 COCH3' + NO2 + HCL @ 3.41E 11; // //C4NO3M2OOH R[noxozne58]= 'CH3CH(OOH) C(CH3)(NO3) CH3' + OH ----> 'CH3C(CH3)(NO3) CH(O2.) CH3' @ 1.90E 12*EXP( 190/TK) ; R[noxozne59]= 'CH3CH(OOH) C(CH3)(NO3) CH3' + CL ----> 'CH3C(CH3)(NO3) CH(O2.) CH3' + HCL @ 4.4E 11 0.5 ; // R[noxozne60]= 'CH3CH(OOH) C(CH3)(NO3) CH3' + OH ----> 'CH3COC(CH3)(NO3) CH3' + OH @ 7.08E 12 ; R[noxozne61]= 'CH3CH(OOH) C(CH3)(NO3) CH3' + CL ----> 'CH3COC(CH3)(NO3) CH3' + OH + HCL @ 4.4E 11 0.5 ; // R[noxozne62]= 'CH3CH(OOH) C(CH3)(NO3) CH3' hv -> 'CH3C(CH3)(NO3) CH(O.) CH3' + OH @j[COOH_to_HO2] ; //COOH(j41) // CH3CHOOC R[noxozne64]= 'H C(=OO)CH3' ----> 'H C(=OO)CH3( 2 )' @ KDEC* 0.11 ; R[noxozne65]= 'H C(=OO)CH3' ----> 'CH3O2.' + CO + OH @ KDEC* 0.89 ; / /H3CHOO R[noxozne67]= 'H C(=OO)CH3( 2 )' + H2O ----> 'HOCO CH3' @ 1.00E 17 ; R[noxozne68]= 'H C(=OO)CH3( 2 )' + CO ----> 'H CO CH3' @ 1.20E 15 ; R[noxozne69]= 'H C(=OO)CH3( 2 )' + NO ----> 'H CO CH3' + NO2 @ 1.00E 14 ; R[noxozne70]= 'H C(=OO)CH3( 2 )' + H2O ----> 'H CO CH3' + H2O2 @ 6.00E 18 ; R[noxozne71]= 'H C(=OO)CH3( 2 )' + NO2 ----> 'H CO CH3' + NO3 @ 1.00E 15 ; R[noxozne72]= 'H C(=OO)CH3( 2 )' + SO2 ----> 'H CO CH3' + SO3 @ 7.00E 14 ; // CH3CCH3OOB R[noxozne74]= 'CH3C(=O O) CH3' ----> 'CH3C(=O O) CH3(2 )' @ KDEC* 0.11 ; R[noxozne75]= 'CH3C(=O O) CH3' ----> 'CH2(O2.)-CO CH3' + OH @ KDEC* 0.89 ; //CH3CCH3OO R[noxozne77]= 'CH3C(=O O) CH3(2 )' + CO ----> 'CH3COCH3' @ 1.20E 15 ; R[noxozne78]= 'CH3C(=O O) CH3(2 )' + NO ----> 'CH3COCH3' + NO2 @ 1.00E 14 ; R[noxozne79]= 'CH3C(=O O) CH3(2 )' + H2O ----> 'CH3COCH3' + H2O2 @ 6.00E 18 ; R[noxozne80]= 'CH3C(=O O) CH3(2 )' + SO2 ----> 'CH3COCH3' + SO3 @ 7.00E 14 ; R[noxozne81]= 'CH3C(=O O) CH3(2 )' + NO2 ----> 'CH3COCH3' + NO3 @ 1.00E -15 ; // // RO2 withk b[RO2] += n [ 'CH3 C(CH3)=CH CH2O2.']; withk b[RO2] += n [ 'CH2=CH C(CH3)(O2.) CH3']; withk b[RO2] += n [ 'CIS CH2(O2.) C(CH3)=CH CH3']; withk b[RO2] += n [ 'CH2=C(CH3) CH(O2.) CH3']; withk b[RO2] += n [ 'TRAN CH2(O2.) C(CH3)=CH CH3']; withk b[RO2] += n [ 'CIS HOCH2 CH=C(CH3) CH2O2.']; withk b[RO2] += n [ 'CIS HOCH2 CH=C(CH3) CO O2.']; withk b[RO2] += n [ 'HOCH2 CH(OH) C(CH3)(O2.) CO H']; withk b[RO2] += n [ 'HOCH2 CH(CL) C(CH3)(O2.) CO H']; withk b[RO2] += n [ 'CO(O2.) CH3']; withk b[RO2] += n [ 'HOCH2 CH(CL) O2.']; withk b[RO2] += n [ 'CIS HOCH2 C(CH3)=CH CO O2.']; withk b[RO2] += n [ 'HOCH2 C(CH3)(O2.) CH(OH) CO H']; withk b[RO2] += n [ 'HOCH2 C(CH3)(O2.) CH(CL) CO H']; withk b[RO2] += n [ 'HOCH2 C(CH3)(O2.) CH(CL) CO H'];

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withk b[RO2] += n [ 'H CO CH(CL)O2.']; withk b[RO2] += n [ 'H CO CH(OH)C(CH3)(O2.) CH3']; withk b[RO2] += n [ 'H CO CH(CL)C(CH3)(O2.) CH3']; withk b[RO2] += n [ 'CO(O2.) CH=C(CH3)CH3']; withk b[RO2] += n [ 'HO-C H2COCH3']; withk b[RO2] += n [ 'CO(O2.) CH(OH)C(CH3)(OH) CH3']; withk b[RO2] += n [ 'CO(O2.) C(CH3)(OH) CH3']; withk b[RO2] += n [ 'HOCH2 CH(OH) C(CH3)(O2.) CH3']; withk b[RO2] += n [ 'HOCH2 CH(O2.) C(CH3)(OH) CH3']; withk b[RO2] += n [ 'HOCH2 CH(CL) C(CH3)(O2.) CH3']; withk b[RO2] += n [ 'HOCH2 CH(O2.) C(CH3)(CL) CH3']; withk b[RO2] += n [ 'CH3 C(CH3)(OH) CH(CL) COO2.']; withk b[RO2] += n [ 'CH3 C(CH3)(OH) CH(CL) O2.']; withk b[RO2] += n [ 'CH3 C(CL)(O2.) CH3']; withk b[RO2] += n [ 'CO(O2.) C(CH3)(CL) CH3']; withk b[RO2] += n [ 'CH3 C(CH3)(OH) COO2.']; withk b[RO2] += n [ 'CO(O2.) CH2CL']; withk b[RO2] += n [ 'CIS HOCH2 C(CH3)=CH CH2O2.']; withk b[RO2] += n [ 'CIS CO(O2.) C(CH3)=CHCH3']; withk b[RO2] += n [ 'CH3 CH(OH) C(CH3)(O2.) CO H']; withk b[RO2] += n [ 'H CO C(CH3)(O2.) CH(CL)CH3']; withk b[RO2] += n [ 'CLCH(O2.) CH3']; withk b[RO2] += n [ 'HOCH2 C(CH3)(O2.) CH(OH) CH3']; withk b[RO2] += n [ 'HOCH2 C(CH3)(OH) CH(O2.) CH3']; withk b[RO2] += n [ 'H OCH2 C(CH3)(O2.) CH(CL) CH3']; withk b[RO2] += n [ 'HOCH2 C(CH3)(CL) CH(O2.) CH3']; withk b[RO2] += n [ 'CO(O2.) C(CH3)(OH) CH(CL) CH3']; withk b[RO2] += n [ 'HOCH2 C(CL)(O2.) CH3']; withk b[RO2] += n [ 'CLCOCH2O2.']; withk b[RO2] += n [ 'C H3 O2.']; withk b[RO2] += n [ 'CO(O2.) C(CH3)(CL) COCH3']; withk b[RO2] += n [ 'CO(O2.) C(CH3)=CH2']; withk b[RO2] += n [ 'HOCH2 C(CH3)(O2.) COH']; withk b[RO2] += n [ 'H CO C(CH3)(O2.) CH2CL']; withk b[RO2] += n [ 'HOCH2 C(CH3)(O2.) COCH3' ]; withk b[RO2] += n [ 'CH3 COC(CH3)(O2.) CH2 CL']; withk b[RO2] += n [ 'CH2(O2.) C(CH3)(OH) CO CH3']; withk b[RO2] += n [ 'CH3 COC(CH3)(CL) CH2O2.']; withk b[RO2] += n [ 'CLCH2 O2.']; withk b[RO2] += n [ 'CH2(O2.) CO CO CH3']; withk b[RO2] += n [ 'CO(O2.) CO H']; withk b[RO2] += n [ 'HOCH2 COO2.']; withk b[RO2] += n [ 'CH2(O2.) C(CH3)(OH) CH(OH)CH3']; withk b[RO2] += n [ 'CH3 CH(OH) C(CH3)(CL) CH2 O2.']; withk b[RO2] += n [ 'CH3 CH(OH) C(CH3)(O2.) CH2CL']; withk b[RO2] += n [ 'CH3 CH(OH) C(CH3)(CL) COO2.']; withk b[RO2] += n [ 'CH3 CH(OH) C(CL)(O2.) CH3']; withk b[RO2] += n [ 'CLCH(O2.) CO CH3']; withk b[RO2] += n [ 'CH3 CH(OH) C(CH3)(O2.) CH3']; withk b[RO2] += n [ 'CH3 C(CH3)(OH) CH(O2.) CH3']; withk b[RO2] += n [ 'CH3 CH(CL) C(CH3)(O2.) CH3']; withk b[RO2] += n [ 'CH3 C(CH3)(CL) CH(O2.) CH3']; withk b[RO2] += n [ 'CH3 COC(CH3)(O2.) CH3']; withk b[RO2] += n [ 'CH3 C(CH3)(OH) C(CL)(O2.) CH3']; withk b[RO2] += n [ 'CH2(O2.) CO C(CH3)(CL) CH3']; withk b[RO2] += n [ 'CH2(O2.) CO CH3'];

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withk b[RO2] += n [ 'CLCH(OH) COO2.']; withk b[RO2] += n [ 'HOCH2 C(CH3)(CL) CO O2.']; withk b[RO2] += n [ 'CO(O2.) C(CL)(OH)CH3']; withk b[RO2] += n [ 'CH2(O2.) CH(OH) C(CH3)(OH) CH3']; withk b[RO2] += n [ 'CH3 -C (CH3)(OH) CH(CL) CH2 O2.']; withk b[RO2] += n [ 'HOCH2 CH(O2.) COCH3']; withk b[RO2] += n [ 'CO(O2.) CH(OH)COCH3']; withk b[RO2] += n [ 'HOCH2 CH(O2.) CH3']; withk b[RO2] += n [ 'CH2(O2.) CH(OH) CH3']; withk b[RO2] += n [ 'CO(O2.) CH(OH)CH3']; withk b[RO2] += n [ 'CH2(NO3) CH(O2.)CH3']; withk b[RO2] += n [ 'CH2(O2.) CH(NO3)CH3']; withk b[RO2] += n [ 'CH2(O2.) CH(OH) COCH3'];

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B.1. Experimental M easurement

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B.2. Model S imulation