********************************************************************* ;
* A citation to the MCM website and the relevant mechanism          * ;
* construction protocols should be given in any publication using   * ;
* information obtained from this source, using the following or     * ;
* comparable wording:                                               * ;
* The chemical mechanistic information was taken from the Master    * ;
* Chemical Mechanism, MCM v3.3.1 (ref), via website:                  * ;
* http://mcm.leeds.ac.uk/MCM.                                       * ;
* The reference should be: (Jenkin et al., Atmos. Environ., 31, 81, * ;
* 1997; Saunders et al., Atmos. Chem. Phys., 3, 161, 2003), for     * ;
* non aromatic schemes; (Jenkin et al., Atmos. Chem. Phys., 3,  * ;
* 181, 2003; Bloss et al., Atmos. Chem. Phys., 5, 641, 2005), for   * ;
* aromatic schemes; (Jenkin et al., Atmos. Chem. Phys.,  12, * ;
* 5275, 2012), for the beta-caryophyllene scheme and (Jenkin et al., ;
* Atmos. Chem. Phys., 15, 11433, 2015), for the isoprene scheme.  * ;
********************************************************************* ;
* MCMv3.3.1 Subset generated for the following species:   ;
* C5H8 ;
*;
* Variable definitions.  All species are listed here.;
*;
VARIABLE
 C4PAN5 C4PAN6 C535OOH HMACROOH NC3OO IEB1CHO CHOPRNO3 CHOCOHCO
C524CO ISOPDOOH MVK IPRHOCO2H ETHGLY MACROH MACROO C3MCODBPAN
ETHO2HNO3 HMGLOOA ETHENO3O DHPMPAL INB1NBCO2H CO24C4CHO MACRO2 C57AO
ACO3H NC524OOH INAHCO3 PXYFUO HONO C525OOH INAHCHO C534OOH ISOPAOOH
IPROPOLO MAE ISOPCOOH HYPERACET INB1NACO3H IEACO3H C3DIOLOOH
INAHPCO3 CISOPA CISOPC MMALANHYO2 NO2 NO3 C536O C58OOH H2O2 C58NO3
C59O INCCO PAN CISOPCO C524O INB1GLYOX CH2CHCH2O PRONO3AO2 C527OOH
CONM2CO3H C537O2 CO2H3CO3H CH3CHO C531O2 HMML C526O PRONO3BO NOA
C530NO3 BIACETOOH INCOOH ISOPBOOH CH2CHCH2OOH INAOOH C533O2 IEPOXC
NOAOO IEPOXA MACROOA C58NO3CO3 MACROOH O1D INAHPCO3H CO2N3CHO C510OH
INANCOCO2H CO2N3CO3 PHAN PXYFUO2 HOCH2COCHO C535O2 HMVKAO MACO2H
CO2C3OO MGLOOA ACRPAN HMACROH ISOPCNO3 NC51O MACRNCO2H C510O2
ISOP34NO3 INDO2 DHPMEK NC526OOH INB1NACHO MACRNBPAN COHM2CO3H SA
HOCH2CHO ISOPANO3 INANCOCHO PRNO3CO3H INB1OOH C537O C31CO3 INANCO3H
H14CO23C4 INAOH C531CO C3MCODBCO3 PRONO3AO IECCO3 PRNO3PAN
C23O3CCO2H HPC52CO3 HYPROPO2H ISOPAO C3DIOLO HVMK C3MCODBCO2 INCOH
INCO MMALNBCO3H IPRHOCO3 INCO2 MACRO INANCOCO3 C510O MGLYOOB MGLYOOA
HC4CO3 INCNO3 INB1O CH3CHOO C3MDIALO INB2OOH INCNCHO INANPAN
NPXYFUO2 INAO2 INCNCO3 ISOPDNO3 IBUTALOH C32OH13CO CH3CO3H HIEB1O2
C57O CH3C2H2O2 MVKOHAO H1CO23CHO INANO3 INB1HPCHO ACO2H CH3COPAN
CO2N3PAN ISOPBNO3 CH3CHOOA ACRO2 MMALNACO3 C533OOH C4CO2O IECCO3H
HC4ACHO CH4 HMGLYOO HCOCO3 NC4CO3 HC4PAN HCOCH2O2 MVKO MMALNACO3H
ACLOO NC524NO3 CONM2CO3 C535O PROPALO PRONO3BO2 HCOOH TISOPA HCOCO2H
TISOPC ETHENO3O2 HIEPOXB HCHO HMVKAO2 M3FOOA CONM2CO2H MACRNO3
ISOP34OOH HMACRO2 IPROPOLPER C4M2AL2OH NC526O ALLYLOH IECCHO
HOCH2CO3 MC3CODBPAN HMVKNO3 CHOOCHO CH2OOG CH2OOE A2PAN CH2OOC
CH2OOB IPROPOLO2H CONM2CHO HMGLYOOA CH3O HOCH2CO2H MACRNB IPRHOCO3H
INB1NBCHO NC4OOA C47CO3 MACRNOO C5PACALD2 C5PACALD1 CH3OOH HPC52CO3H
OCCOHCOOH HCOCO PROPGLY ISOP34O2 NO3CH2CO3 NC4CHO HMVKNGLYOX
C57NO3CO3H C526O2 CH3CHOHCHO NISOPNO3 IEC2OOH MVKOHAOH MVKOHBO2
MGLOO PXYFUOH INDHPCO3 C23O3CCO3 INDOH MVKOHAOOH MGLYOO C58NO3CO2H
C524O2 NOAOOA H13CO2CO3H INB1NACO2H CO2H3CHO IEAPAN IEB4CHO
MMALNHYOOH MGLYOX C524OH HMACO3H MVKOHAO2 INANCOPAN HC4CCHO MPAN
C531O INDOOH CH3O2NO2 MACRNBCO3H ISOPDO HCOC5 PACLOOA CH3COCO3
INDHCO3H MMALNBCO2H C51NO3 GAOO NC41OO MACRNBCO3 IEACO3 HMGLOO
C23O3CPAN CH3COCO2H IEPOXB C57O2 INCGLYOX DNC524CO OCCOHCOH C51O2
IECPAN HIEB1O C2OHOCOOH INB1HPCO3H PPACLOOA C510OOH C5H8 MACROHO
C51OH C59O2 ACETOL INB1HPCO2H VGLYOX IPROPOLO2 CONM2PAN CH3CO3
INB1HPPAN CO2C3CO2H MMALNBPAN HIEB2O2 C3MDIALOOH HPNC524CO C47CO3H
C45OOH INAHPCO2H CH3COCH2O2 MACO3H HMAC HMVKBO GAOOB CH3NO3 ISOPAOH
HMVKANO3 MACROHO2 HMVKBO2 NPXYFUO HYPROPO C534O INB1NBCO3H H13CO2CHO
COHM2CO3 HCOCO3H HC4CCO2H HSO3 C57NO3CO3 ISOPCO2 INANCOCO3H
IPROPOLPAN HNO3 C57AOOH MACRNCO3 HYETHO2H INB1NO3 ETHOHNO3 GLYOO
C524NO3 ISOPAO2 HOCHOCOOH HC4CHO A2PANOO HIEB1OOH GLYOX ISOP34O
HC4CCO3 HMACR INCNCO2H C3H6 CO2N3CO3H HC4ACO3 MACROHOOH C527O2
CO23C4NO3 C57OOH CH2OO COHM2PAN N2O5 CH3CHOHCO3 NC41OOA COHM2CO2H
INB1HPCO3 C23O3CCHO C5PAN19 C5PAN18 PXYFUOOH C5PAN17 C525O2 C2H4
HCOCOHCO3 INB1NBCO3 C57NO3 NISOPOOH MACRNOOA C57AO2 HO12CO3C4
HCOCH2O C31PAN C525O H13CO2CO3 INANCO C5HPALD2 C5HPALD1 CO2C3PAN
BIACETO C530O C3DIOLO2 NO3CH2CHO INB2O2 MVKOHANO3 NO3CH2CO2H CO CL
HPC52OOH INAHPPAN MCOCOMOXO2 HOCH2CH2O MMALNACO2H C42AOH C51OOH
PPGAOOB HC4ACO2H C45NO3 PGAOOB NPXYFUOOH C58AOOH HIEB2OOH C4M2ALOHO2
HMACO2H HNC524CO HPC52PAN HCOCH2OOH MCOCOMOOOH CO2C3CO3H MVKNO3
C2OHOCO2H ISOPBOH MCOCOMOXO ISOPDOH C58O2 HC4CO3H MC3CODBCO3
MC3CODBCO2 INDHPPAN A2PANO NO3CH2CO3H M3BU3ECO3H HPC52O2 C58OH
CISOPAO ISOPDO2 SO3 SO2 C47PAN ISOPBO2 HMACRO C57NO3CO2H HOCH2CO3H
PR2O2HNO3 HMVKAOOH INAHCO3H NC4CO3H HCOCOHCO3H C58NO3CO3H C526NO3
CH3OH INDHCO3 BIACETO2 INDHCHO HMACO3 O3 INDHPCHO CH3COCH2O INAHPAN
INB1NAPAN M3BU3ECO3 CISOPCO2 ACLOOA INAO INAHPCHO INANCHO INCNPAN
NC524O C4CO2O2 MVKOHBO C4CO2OOH HCOCOHPAN CH3COCO3H OH GLYOOB GLYOOC
CH3O2 C4MDIAL HMVKBOOH BIACETOH HIEB2O C51O PR1O2HNO3 PXYFUONE C45O
HYPROPO2 MVKO2 PE4E2CO MMALANHY ME3BU3ECHO C59OOH NC4OO CO2C3OOA
CO2C3OOB CH2OOA HOCH2CH2O2 IEACHO HO2NO2 C536OOH C58NO3PAN HO1CO24C5
INCNCO3H OCCOHCO2 H13CO2C3 INB1NACO3 O C58AO2 MVKOH NC3OOA ACO3
C57NO3PAN PROLNO3 MVKOO INB1O2 C527O H2 C532CO CHOMOHCO3 C58O
NC51OOH NC2OO HC4CCO3H M3F OCCOHCO NMGLYOX C530OOH CO2C3CO3 INB2O
CH2CHCH2NO3 MMALNBCO3 HOCH2COCO2H ACR INDHPAN MMALNHY2OH INB1NBPAN
CH2CHCH2O2 NO NA HC4ACO3H MC3ODBCO2H C527NO3 C57OH C531OOH NC524OH
CH3CO2H MVKOOH NC524O2 C4M2ALOHNO3 C536O2 MVKOOA CO2C3CHO MMALNAPAN
NISOPO C537OOH C530O2 CO23C3CHO CH3COCH3 PRNO3CO3 MACRNBCO2H NC526O2
C58ANO3 INDHPCO3H C23O3CCO3H CO2H3CO3 INANCO3 C3MDIALO2 C4MALOHOOH
C23O3CHO C47CHO PROPOLNO3 HPC52O INB1OH MVKOHBOOH C58AO INAHCO2H
CHOMOHCO3H NC51O2 C534O2 HO2 NISOPO2 NC4CO2H PRNO3CO2H MACR INANCO2H
MACO3 MACRNCO3H M3BU3EPAN C4M2ALOHO INB1CO NC2OOA C4PAN10 NO3CH2PAN
CISOPAO2 C524OOH M3FOO MACRNPAN C31CO3H C45O2 MMALANHYO CHOMOHPAN
HMPAN C533O C3MDIALOH INDO C526OOH ISOPBO ;
****************************************************** ;
*;
* Generic Rate Coefficients ;
*;
KRO2NO = 2.7D-12*EXP(360/TEMP) ;
KRO2HO2 = 2.91D-13*EXP(1300/TEMP) ;
KAPHO2 = 5.2D-13*EXP(980/TEMP) ;
KAPNO = 7.5D-12*EXP(290/TEMP) ;
KRO2NO3 = 2.3D-12 ;
KNO3AL = 1.4D-12*EXP(-1860/TEMP) ;
KDEC = 1.00D+06 ;
KROPRIM = 2.50D-14*EXP(-300/TEMP) ;
KROSEC = 2.50D-14*EXP(-300/TEMP) ;
KCH3O2 = 1.03D-13*EXP(365/TEMP) ;
K298CH3O2 = 3.5D-13 ;
K14ISOM1 = 3.00D7*EXP(-5300/TEMP) ;
*;
* Complex reactions ;
*;
KD0 = 1.10D-05*M*EXP(-10100/TEMP) ;
KDI = 1.90D17*EXP(-14100/TEMP) ;
KRD = KD0/KDI ;
FCD = 0.30 ;
NCD = 0.75-1.27*(LOG10(FCD)) ;
FD = 10@(LOG10(FCD)/(1+(LOG10(KRD)/NCD)**2)) ;
KBPAN = (KD0*KDI)*FD/(KD0+KDI) ;
KC0 = 3.28D-28*M*(TEMP/300)@-6.87 ;
KCI = 1.125D-11*(TEMP/300)@-1.105 ;
KRC = KC0/KCI ;
FCC = 0.30 ;
NC = 0.75-1.27*(LOG10(FCC)) ;
FC = 10@(LOG10(FCC)/(1+(LOG10(KRC)/NC)**2)) ;
KFPAN = (KC0*KCI)*FC/(KC0+KCI) ;
K10 = 1.0D-31*M*(TEMP/300)@-1.6 ;
K1I = 5.0D-11*(TEMP/300)@-0.3 ;
KR1 = K10/K1I ;
FC1 = 0.85 ;
NC1 = 0.75-1.27*(LOG10(FC1)) ;
F1 = 10@(LOG10(FC1)/(1+(LOG10(KR1)/NC1)**2)) ;
KMT01 = (K10*K1I)*F1/(K10+K1I) ;
K20 = 1.3D-31*M*(TEMP/300)@-1.5 ;
K2I = 2.3D-11*(TEMP/300)@0.24 ;
KR2 = K20/K2I ;
FC2 = 0.6 ;
NC2 = 0.75-1.27*(LOG10(FC2)) ;
F2 = 10@(LOG10(FC2)/(1+(LOG10(KR2)/NC2)**2)) ;
KMT02 = (K20*K2I)*F2/(K20+K2I) ;
K30 = 3.6D-30*M*(TEMP/300)@-4.1 ;
K3I = 1.9D-12*(TEMP/300)@0.2 ;
KR3 = K30/K3I ;
FC3 = 0.35 ;
NC3 = 0.75-1.27*(LOG10(FC3)) ;
F3 = 10@(LOG10(FC3)/(1+(LOG10(KR3)/NC3)**2)) ;
KMT03 = (K30*K3I)*F3/(K30+K3I) ;
K40 = 1.3D-3*M*(TEMP/300)@-3.5*EXP(-11000/TEMP) ;
K4I = 9.7D+14*(TEMP/300)@0.1*EXP(-11080/TEMP) ;
KR4 = K40/K4I ;
FC4 = 0.35 ;
NC4 = 0.75-1.27*(LOG10(FC4)) ;
F4 = 10@(LOG10(FC4)/(1+(LOG10(KR4)/NC4)**2)) ;
KMT04 = (K40*K4I)*F4/(K40+K4I) ;
KMT05 = 1.44D-13*(1+(M/4.2D+19)) ;
KMT06 = 1 + (1.40D-21*EXP(2200/TEMP)*H2O) ;
K70 = 7.4D-31*M*(TEMP/300)@-2.4 ;
K7I = 3.3D-11*(TEMP/300)@-0.3 ;
KR7 = K70/K7I ;
FC7 = 0.81 ;
NC7 = 0.75-1.27*(LOG10(FC7)) ;
F7 = 10@(LOG10(FC7)/(1+(LOG10(KR7)/NC7)**2)) ;
KMT07 = (K70*K7I)*F7/(K70+K7I) ;
K80 = 3.2D-30*M*(TEMP/300)@-4.5 ;
K8I = 3.0D-11 ;
KR8 = K80/K8I ;
FC8 = 0.41 ;
NC8 = 0.75-1.27*(LOG10(FC8)) ;
F8 = 10@(LOG10(FC8)/(1+(LOG10(KR8)/NC8)**2)) ;
KMT08 = (K80*K8I)*F8/(K80+K8I) ;
K90 = 1.4D-31*M*(TEMP/300)@-3.1 ;
K9I = 4.0D-12 ;
KR9 = K90/K9I ;
FC9 = 0.4 ;
NC9 = 0.75-1.27*(LOG10(FC9)) ;
F9 = 10@(LOG10(FC9)/(1+(LOG10(KR9)/NC9)**2)) ;
KMT09 = (K90*K9I)*F9/(K90+K9I) ;
K100 = 4.10D-05*M*EXP(-10650/TEMP) ;
K10I = 6.0D+15*EXP(-11170/TEMP) ;
KR10 = K100/K10I ;
FC10 = 0.4 ;
NC10 = 0.75-1.27*(LOG10(FC10)) ;
F10 = 10@(LOG10(FC10)/(1+(LOG10(KR10)/NC10)**2)) ;
KMT10 = (K100*K10I)*F10/(K100+K10I) ;
K1 = 2.40D-14*EXP(460/TEMP) ;
K3 = 6.50D-34*EXP(1335/TEMP) ;
K4 = 2.70D-17*EXP(2199/TEMP) ;
K2 = (K3*M)/(1+(K3*M/K4)) ;
KMT11 = K1 + K2 ;
K120 = 2.5D-31*M*(TEMP/300)@-2.6 ;
K12I = 2.0D-12 ;
KR12 = K120/K12I ;
FC12 = 0.53 ;
NC12 = 0.75-1.27*(LOG10(FC12)) ;
F12 = 10@(LOG10(FC12)/(1.0+(LOG10(KR12)/NC12)**2)) ;
KMT12 = (K120*K12I*F12)/(K120+K12I) ;
K130 = 2.5D-30*M*(TEMP/300)@-5.5 ;
K13I = 1.8D-11 ;
KR13 = K130/K13I ;
FC13 = 0.36 ;
NC13 = 0.75-1.27*(LOG10(FC13)) ;
F13 = 10@(LOG10(FC13)/(1+(LOG10(KR13)/NC13)**2)) ;
KMT13 = (K130*K13I)*F13/(K130+K13I) ;
K140 = 9.0D-5*EXP(-9690/TEMP)*M ;
K14I = 1.1D+16*EXP(-10560/TEMP) ;
KR14 = K140/K14I ;
FC14 = 0.36 ;
NC14 = 0.75-1.27*(LOG10(FC14)) ;
F14 = 10@(LOG10(FC14)/(1+(LOG10(KR14)/NC14)**2)) ;
KMT14 = (K140*K14I)*F14/(K140+K14I) ;
K150 = 8.6D-29*M*(TEMP/300)@-3.1 ;
K15I = 9.0D-12*(TEMP/300)@-0.85 ;
KR15 = K150/K15I ;
FC15 = 0.48 ;
NC15 = 0.75-1.27*(LOG10(FC15)) ;
F15 = 10@(LOG10(FC15)/(1+(LOG10(KR15)/NC15)**2)) ;
KMT15 = (K150*K15I)*F15/(K150+K15I) ;
K160 = 8D-27*M*(TEMP/300)@-3.5 ;
K16I = 3.0D-11*(TEMP/300)@-1 ;
KR16 = K160/K16I ;
FC16 = 0.5 ;
NC16 = 0.75-1.27*(LOG10(FC16)) ;
F16 = 10@(LOG10(FC16)/(1+(LOG10(KR16)/NC16)**2)) ;
KMT16 = (K160*K16I)*F16/(K160+K16I) ;
K170 = 5.0D-30*M*(TEMP/300)@-1.5 ;
K17I = 1.0D-12 ;
KR17 = K170/K17I ;
FC17 = 0.17*EXP(-51/TEMP)+EXP(-TEMP/204) ;
NC17 = 0.75-1.27*(LOG10(FC17)) ;
F17 = 10@(LOG10(FC17)/(1.0+(LOG10(KR17)/NC17)**2)) ;
KMT17 = (K170*K17I*F17)/(K170+K17I) ;
KMT18 = 9.5D-39*O2*EXP(5270/TEMP)/(1+7.5D-29*O2*EXP(5610/TEMP)) ;
KPPN0 = 1.7D-03*EXP(-11280/TEMP)*M ;
KPPNI = 8.3D+16*EXP(-13940/TEMP) ;
KRPPN = KPPN0/KPPNI ;
FCPPN = 0.36 ;
NCPPN = 0.75-1.27*(LOG10(FCPPN)) ;
FPPN = 10@(LOG10(FCPPN)/(1+(LOG10(KRPPN)/NCPPN)**2)) ;
KBPPN = (KPPN0*KPPNI)*FCPPN/(KPPN0+KPPNI) ;
****************************************************** ;
*;
* Peroxy radicals. ;
*;
* WARNING: The following species do not have SMILES strings in the database. ;
*          If any of these are peroxy radicals the RO2 sum will be wrong!!! ;
****************************************************** ;
*  ;
RO2 = NISOPO2 + ISOP34O2 + CH3C2H2O2 + MACO3 + MACRO2 + MACROHO2 +
      CH3CO3 + HMVKAO2 + HMVKBO2 + CH3O2 + MVKO2 + CISOPAO2 + ISOPBO2 +
      CISOPCO2 + ISOPDO2 + NC526O2 + C530O2 + M3BU3ECO3 + C45O2 +
      NC51O2 + C51O2 + CH2CHCH2O2 + ISOPAO2 + ISOPCO2 + INCO2 + NC4CO3
      + C510O2 + PRONO3AO2 + PRONO3BO2 + HYPROPO2 + IPROPOLO2 + C536O2
      + C537O2 + INAO2 + C58O2 + HC4CO3 + CO2C3CO3 + CH3COCH2O2 +
      C4CO2O2 + C527O2 + HOCH2CO3 + MACRNCO3 + MACRNBCO3 + CHOMOHCO3 +
      HCOCH2O2 + CO2H3CO3 + ACO3 + MVKOHAO2 + MVKOHBO2 + C526O2 +
      HC4ACO3 + C58AO2 + INB1O2 + INB2O2 + HPC52O2 + HC4CCO3 + C57AO2 +
      C57O2 + INDO2 + C59O2 + ACRO2 + OCCOHCO2 + C524O2 + HCOCO3 +
      CONM2CO3 + IPRHOCO3 + PRNO3CO3 + CH3CHOHCO3 + CO2N3CO3 +
      NO3CH2CO3 + C534O2 + C3MCODBCO3 + MC3CODBCO3 + C4M2ALOHO2 +
      C535O2 + C58NO3CO3 + ETHENO3O2 + HOCH2CH2O2 + C531O2 + INCNCO3 +
      H13CO2CO3 + IEACO3 + C3MDIALO2 + BIACETO2 + CH3COCO3 + NPXYFUO2 +
      MCOCOMOXO2 + PXYFUO2 + IECCO3 + HPC52CO3 + INDHCO3 + C57NO3CO3 +
      INAHPCO3 + INANCO3 + INAHCO3 + A2PANOO + HCOCOHCO3 + NC524O2 +
      C525O2 + HMACO3 + HMACRO2 + COHM2CO3 + C47CO3 + INB1HPCO3 +
      INB1NACO3 + INB1NBCO3 + MMALNACO3 + MMALNBCO3 + INDHPCO3 +
      INANCOCO3 + HIEB1O2 + HIEB2O2 + C31CO3 + C533O2 + MMALANHYO2 +
      C3DIOLO2 + C23O3CCO3 ;
*;
* Reaction definitions. ;
*;
% 5.6e-17 : APINENE + O3 = ELVOC_O3 ;

*;
* End of Subset.  No. of Species = 3, No. of Reactions = 1 ;