BEGSIM
output unit = 7
file = inca.doc
version=NMHC_AER

COMMENTS

     INCA version 4.2  
     NMHC-AER with NH3 cycle and nitrates particles
     Didier Hauglustaine, LSCE, 2013

ENDPAR

SPECIES

   Solution
*-----------------------------
*--- species from INCA CH4 ---
*-----------------------------
    [rn222] Rn222
    [pb210] Pb210
    [mcf]   MCF     -> CH3CCl3
    [o3l]   O3L     -> O3
    [o3i]   O3I     -> O3
    [o3s]   O3S     -> O3
    [cold]  COLD    -> @28.9644

*----------------------------
*--- species from INCA NMHC --
*----------------------------
*    inorganics
    [h2]    H2
    [o3]    O3
    [o]     O
    [o1d]   O1D ->  O
    [h]     H
    [oh]    OH
    [ho2]   HO2
    [h2o2]  H2O2
    [n2o]   N2O
    [n]     N
    [no]    NO
    [no2]   NO2
    [no3]   NO3
    [hno2]  HNO2
    [hno3]  HNO3
    [hno4]  HNO4
    [n2o5]  N2O5

    [ch3]   CH3
    [hco]   HCO

*    methane cycle
    [ch4]   CH4
    [co]    CO
    [ch3o2]  CH3O2
    [ch3o]  CH3O
    [ch3ooh]  CH3OOH
    [ch3oh]  CH3OH
    [ch2o]  CH2O

*    NMHCs
    [c2h6]  C2H6
    [c2h4]  C2H4
    [c3h8]  C3H8
    [c3h6]  C3H6
    [c2h2]  C2H2
    [isop]  ISOP -> C5H8
    [apin]  APIN -> C10H16
    [c2h5o2]  C2H5O2
    [c3h7o2]  C3H7O2
    [propeo2]  PROPEO2 -> C3H6OHO2
    [propao2]  PROPAO2 -> CH3COCH2O2
    [isopo2]  ISOPO2 -> C5H8OHO2
    [macro2]  MACRO2 -> CH3COCHO2CH2OH
    [c2h5oh]  C2H5OH
    [ch3cho]  CH3CHO
    [ch3cooh]  CH3COOH
    [ch3coooh]  CH3COOOH
    [ch3cocho]  CH3COCHO
    [ch3co3]  CH3CO3
    [ch3coch3]  CH3COCH3
    [c2h5ooh]  C2H5OOH
    [c3h7ooh]  C3H7OOH
    [propeooh]  PROPEOOH -> C3H6OHOOH
    [propaooh]  PROPAOOH -> CH3COCH2OOH
    [pan]  PAN  -> CH3CO3NO2
    [mpan]  MPAN -> CH2CCH3CO3NO2
    [macr]  MACR -> CH2CCH3CHO
    [mvk]  MVK  -> CH2CHCOCH3
    [mco3]  MCO3 -> CH2CCH3CO3
    [o3olsb]  O3OLSB -> O3

    [mek]  MEK  -> CH3CH2COCH3
    [pcho]  PCHO -> C10H16
    [pco3]  PCO3 -> C
    [isopno3]  ISOPNO3 -> C
    [apino3]  APINO3 -> C
    [apinpan]  APINPAN -> C
    [pco3pan]  PCO3PAN -> C
    [onitu]  ONITU -> C3H7ONO2
    [onitr]  ONITR -> C5H8ONO2
    [onituo2]  ONITUO2 -> C
    [alkan]  ALKAN -> @80.970
    [alken]  ALKEN -> @63.28
    [arom]  AROM -> @97.80
    [xo2]  XO2  -> C
    [alkano2]  ALKANO2 -> @111.954
    [alkeno2]  ALKENO2 -> @94.28
    [apino2]  APINO2 -> C
    [aromo2]  AROMO2 -> C
    [meko2]  MEKO2 -> C4H7OO2
    [macrooh]  MACROOH -> C4H8O4
    [mekooh]  MEKOOH -> C4H8OO2
    [alkanooh]  ALKANOOH -> @112.964
    [alkenooh]  ALKENOOH -> @95.28
    [aromooh]  AROMOOH -> @129.8
    [xooh]  XOOH -> C

*     biomass burning CO

*     Aerosols

    [so2]  SO2
    [h2s]  H2S
    [dms]  DMS      ->CH3SCH3
    [dmso]  DMSO     ->CH3SOCH3
    [nh3]  NH3
    [nh2]  NH2
    [nh2o]  NH2O

*   SOA species. Nomenclature:
*   AS: Accumulation Soluble mode
*   AP (AR): APIN (AROM) is the parent hydrocarbon
*   p1 and p2: product 1 (less volatile) and product 2 (more volatile)
*   g: in the gas-phase, a: in the aerosol-phase
*   gas and aerosol phases must be in corresponding order, anywhere in the declaration
*   of the species, but gas-phase prior to aerosol-phase. APp1g and ASAPp1a always first
      APp1g  -> @170.
      APp2g  -> @170.
      ARp1g  -> @150.
      ARp2g  -> @150.
 
* nous n'utilisons pas de masse molaire pour cidustm - le travail est fait tout le temps 
* avec mmr  - pour eviter que le preproc se plante  nous lui indiquons une masse molaire 
* de 0.  - idem pour CIN et cie. 
    [dustci]  CIDUSTM  -> @0.
    [no3ci]  CINO3M   ->NO3
    [ci]  CIN       -> @0.
 
*     AIBCM is for the hydrophobic part of BC, resp. AIPOMM hydrophobic part of POM
  
    [bcai]   AIBCM    -> C
    [oaai]   AIPOMM   -> C
    [ai]     AIN       -> @0.
 
    [sscs]   CSSSM    ->NaCl
    [so4cs]  CSSO4M   ->SO4
    [nh4cs]  CSNH4M   ->NH4
    [msacs]  CSMSAM   ->CH3SO3H
    [no3cs]  CSNO3M   ->NO3
    [cs]     CSN       -> @0.
 
    [ssas]   ASSSM    ->NaCl
    [bcas]   ASBCM    ->C
    [oaas]   ASPOMM   ->C

      ASAPp1a  -> @170.
      ASAPp2a  -> @170.
      ASARp1a  -> @150.
      ASARp2a  -> @150.

    [so4as]  ASSO4M   ->SO4
    [nh4as]  ASNH4M   ->NH4
    [msaas]  ASMSAM   ->CH3SO3H
    [no3as]  ASNO3M   ->NO3
    [as]     ASN       -> @0.
 
    [ssss]   SSSSM    ->NaCl
    [ss]     SSN       -> @0.

    [cairfuel]  CAIRFUEL -> @28.9644
    [mairfuel]  MAIRFUEL -> @28.9644

   Endlst

   Fixed
    M
    N2
    O2
    H2O
    CO2
   Endlst

   Col-int
    O3 = 0.
    O2 = 0.
    O3L = 0.      
   Endent


ENDPAR

SOLUTION CLASSES

   Explicit
    Rn222
    Pb210
    MCF

    CH4
    N2O
    CO
    H2
 
    CIDUSTM
    CIN
 
    AIBCM
    AIPOMM
    AIN
 
    CSSSM
    CSSO4M
    CSNH4M
    CSMSAM
    CSN
 
    ASSSM
    ASMSAM
    ASPOMM
    ASN
 
    SSSSM
    SSN

    CAIRFUEL
    MAIRFUEL

*WARNING  O3I and O3S always last explicit species unless
* exp_slv is modified
      O3L, COLD, O3I, O3S

   Endlst

   QSSA
   Endlst

   Rodas
   Endlst

   EBI
   Endlst

   Implicit
    O3
    O
    O1D
    H
    OH
    HO2
    H2O2
    N
    NO
    NO2
    NO3
    HNO2
    HNO3
    HNO4
    N2O5

    CH3O2
    CH3O
    CH3OOH
    CH3OH
    CH2O

    C2H6
    C2H4
    C3H8
    C3H6
    C2H2
    ISOP
    APIN
    C2H5O2
    C3H7O2
    PROPEO2
    PROPAO2
    ISOPO2
    MACRO2
    C2H5OH
    CH3CHO
    CH3COOH
    CH3COOOH
    CH3COCHO
    CH3CO3
    CH3COCH3
    C2H5OOH
    C3H7OOH
    PROPEOOH
    PROPAOOH
    PAN
    MPAN
    MACR
    MVK
    MCO3
    O3OLSB

    MEK
    PCHO
    PCO3
    ISOPNO3
    APINO3
    APINPAN
    PCO3PAN
    ONITU
    ONITR
    ONITUO2
    ALKAN
    ALKEN
    AROM
    XO2
    ALKANO2
    ALKENO2
    APINO2
    AROMO2
    MEKO2
    MACROOH
    MEKOOH
    ALKANOOH
    ALKENOOH
    AROMOOH
    XOOH

    SO2
    H2S
    DMS
    DMSO
    ASSO4M
    CINO3M
    CSNO3M
    ASNH4M
    ASNO3M
    ASBCM

    NH3
    NH2
    NH2O

    APp1g,APp2g,ARp1g,ARp2g

    CH3
    HCO

   Endlst

ENDPAR

CHEMISTRY
   Photolysis
*** base reactions; calculated by TUV
      [jO2]		O2 + hv -> 2.0*O
      [jO3O1D] 		O3 + hv -> O1D + O2
      [jO3O] 		O3 + hv -> O + O2
      [jNO2] 		NO2 + hv -> NO + O
      [jNO3NO] 		NO3 + hv -> NO + O2
      [jNO3NO2] 	NO3 + hv -> NO2 + O
      [jN2O5] 		N2O5 + hv -> NO2 + NO3
      [jHNO2] 		HNO2 + hv -> NO + OH
      [jHNO3] 		HNO3 + hv -> NO2 + OH
      [jHNO4] 		HNO4 + hv -> NO2 + HO2
      [jCH3OOH] 	CH3OOH + hv -> CH3O + OH
      [jCH2OHCOH] 	CH2O + hv -> HCO + H
      [jCH2OCOH2] 	CH2O + hv -> CO + H2
      [jH2O2] 		H2O2 + hv -> 2.0 * OH
      [jN2O] 		N2O + hv -> O1D + N2
      [jMCF] 		MCF + hv ->
      [jH2O] 		H2O + hv -> OH + H
      [jCH3CHO] 	CH3CHO + hv -> CH3O2 + CO + HO2
      [jCH3COCH3] 	CH3COCH3 + hv -> CH3CO3 + CH3O2
      [jCH3COCHO] 	CH3COCHO + hv -> CH3CO3 + CO + HO2
      [jMVK] 		MVK + hv -> 0.3*CH3CO3+0.7*C3H6+0.7*CO+0.3*CH3O2
      [jPAN] 		PAN + hv -> CH3CO3 + NO2
*** end of base reactions

*** Next reaction in 2 lines (products doubled)
      [jMACR1] 		MACR + hv -> 1.34*HO2+0.66*MCO3+1.34*CH2O+1.34*CH3CO3
      [jMACR2] 		MACR + hv -> 0.66*OH+1.34*CO

*** Next reaction in 2 lines (products doubled)
      [jONITU1] 	ONITU + hv -> 2.0*NO2+1.306*HO2+0.666*CH3COCH3+1.024*MEK
      [jONITU2] 	ONITU + hv -> 0.692*C2H5O2

      [jPCHO]		PCHO + hv -> HO2 + CO + XO2 + PROPEO2
      [jMEK]		MEK + hv -> CH3CO3 + C2H5O2
      [jMPAN]		MPAN + hv -> MCO3 + NO2
      [jAPINPAN]	APINPAN + hv -> APINO3 + NO2
      [jPCO3PAN]	PCO3PAN + hv -> PCO3 + NO2

      [jONITR]		ONITR + hv -> HO2+CO+NO2+CH2O
      [jPROPEOOH]	PROPEOOH + hv -> CH3CHO + CH2O + HO2 + OH
      [jC2H5OOH]	C2H5OOH + hv -> CH3CHO + HO2 + OH
      [jC3H7OOH]	C3H7OOH + hv -> 0.218*CH3CHO+0.782*CH3COCH3+OH+HO2
      [jPROPAOOH]	PROPAOOH + hv -> CH2O+CH3CO3+OH
      [jXOOH]		XOOH + hv -> OH
      [jCH3COOOH]	CH3COOOH + hv -> CH3O2 + OH  + CO2

*** Next reaction in 2 lines (products doubled)
      [jMARCROOHOH1]	MACROOH + hv -> 2.0*OH+1.68*CO+0.32*CH2O+2.0*HO2
      [jMARCROOHOH2]	MACROOH + hv -> 0.32*CH3COCHO+1.68*CH3COCHO

*** Next reaction in 2 lines (products doubled)
      [jMACROOHHO21]	MACROOH + hv -> 2.32*HO2+2.0*CO+1.68*OH+1.68*CH3COCHO
      [jMACROOHHO22]	MACROOH + hv -> 0.32*PROPAOOH

*** Next reaction in 2 lines (products doubled)
      [jMEKOOH1]	MEKOOH + hv -> 2.0*OH+1.86*CH3CHO+1.2*CH3CO3+0.14*CH2O
      [jMEKOOH2]	MEKOOH + hv -> 0.4*MEK

*** Next reaction in 2 lines (products doubled)
      [jALKENOOH1]	ALKENOOH + hv -> 2.0*OH+2.0*HO2+0.33*CH2O+1.36*CH3CHO
      [jALKENOOH2]	ALKENOOH + hv -> 0.31*CH3COCH3

*** Next reaction in 2 lines (products doubled)
      [jALKANOOH1]	ALKANOOH + hv -> 2.0*OH+1.124*HO2+0.668*XO2+0.2*CH3O2
      [jALKANOOH2]	ALKANOOH + hv -> 0.716*CH3COCH3+1.028*MEK+0.012*CH2O+0.908*CH3CHO

*** Next reaction in 2 lines (products doubled)
      [jAROMOOH1]	AROMOOH + hv -> 2.0*OH + 0.846*CH3COCHO+3.316*HO2+1.316*CO
      [jAROMOOH2]	AROMOOH + hv -> 1.316*CH3CO3

*** NO + hv always has to be the last
      [jNO]		NO + hv -> N + O

   Endent

   Reactions
*   =============================================
*   === reactions with special rate constants ===
*   =============================================
      [kCH3O]             CH3 + O -> CH2O + H ; 1.1e-10
      [kCH3O3]            CH3 + O3 -> CH2O + HO2 ; 5.4e-12, -220
      [kHCOO2]            HCO + O2 -> CO + HO2 ; 5.2e-12

*   === inorganic species ===
      [kHNO3OH]		HNO3 + OH -> NO3 + H2O
      [kCOOH]		CO + OH -> CO2 + H
      [kHO2HO2]		HO2 + HO2 -> H2O2
      [kHO2M]		H + O2 + M -> HO2 + M
      [kNO2OM]		NO2 + O + M -> NO3 + M
      [kSO2OHM] 	SO2 + OH + M -> ASSO4M + HO2 + M
      [kDMSOHDMSO]	DMS + OH -> 0.6*SO2 + 0.4*DMSO + 1.2*CH2O  



      [kOO2M]   	O + O2 + M -> O3 + M
      [kOOM]	    	O + O + M -> O2 + M
      [kNO2NO3M]	NO2 + NO3 + M -> N2O5 + M
      [kN2O5M]		N2O5 + M -> NO2 + NO3 + M
      [kNOOHM]		NO + OH + M -> HNO2 + M
      [kNO2OHM]		NO2 + OH + M -> HNO3 + M
      [kNO2HO2M]	NO2 + HO2 + M -> HNO4 + M
      [kHNO4M]		HNO4 + M -> HO2 + NO2 + M

*   === organic species ===

*   ====================
*   === ethane cycle ===
*   ====================
      [kC2H6OH]		C2H6 + OH -> C2H5O2 + H2O
      [kC2H5OOHOHCH3CH]	C2H5OOH + OH -> H2O + CH3CHO + OH
*   === end of ethane cylce ===

*   =====================
*   === propane cycle ===
*   =====================
      [kC3H8OH]		C3H8 + OH -> C3H7O2 + H2O
      [kC3H7OOHOHOH]	C3H7OOH + OH -> H2O + OH + CH3CHO
      [kPROPAOOHOHOH]	PROPAOOH + OH -> OH + CH3COCHO + H2O
*   === end of propane cycle ===

*   ===============================
*   === ethene & propene cycles ===
*   ===============================
      [kC3H6OHM]		C3H6 + OH + M -> PROPEO2 + M
      [kC2H4OHM]		C2H4 + OH + M -> 0.6667*PROPEO2 + M
      [kPROPEOOHOH1]		PROPEOOH + OH -> H2O + OH + CH3COCHO
      [kPROPEOOHOH2]		PROPEOOH + OH -> H2O + OH + CH3COCHO
      [kPROPEOOHOHCH3C]		PROPEOOH + OH -> H2O + HO2 + CH3COCHO
      [kPROPEOOHOHPROP]		PROPEOOH + OH -> H2O + HO2 + PROPAOOH
      [kCH3CO3NO2M]		CH3CO3 + NO2 + M -> PAN + M
      [kPANM]			PAN + M -> CH3CO3 + NO2 + M
*   === end of ethene & propene cycles ===

*   =======================
*   === ethine reactions ===
*   =======================
      [kC2H2OHMCO]	C2H2 + OH + M -> 0.72*CO + 0.72*HO2 + 1.28*CH3CHO + M
      [kC2H2OHMOH]	C2H2 + OH + M -> 1.28*OH + M
*   === end of ethin reactions ===

*   ======================
*   === isoprene cycle ===
*   ======================

*   === end of isoprene cycle ===

*   ==========================
*   === alpha-pinene cycle ===
*   ==========================

* O3 reaction in three lines total, products tripled
* IMPORTANT: Remember to change this reaction rate in usrrxt.F if you change it here!
* Increased reactivity due to SOA: 1.1615*1.72=1.9978, 1.9978/3=0.666 due to tripled reaction
      [kAPINO31]        APIN + O3 -> 3.0*APp1g
      [kAPINO32]        APIN + O3 -> 3.0*APp2g
      [kAPINO33]        APIN + O3 -> 0.375*O3OLSB + 1.68*OH + 1.68*APINO3 ; 0.666e-15, -732

      [kAPINO3NO2M]	APINO3 + NO2 + M -> APINPAN + M
      [kAPINPANM]	APINPAN + M -> APINO3 + NO2 + M
*   === end of alpha-pinene cycle ===


*   ================================================
*   === oxidation cycle of organic intermediates ===
*   ================================================
      [kMACROOHOHOH]	MACROOH + OH -> H2O + OH + 2.0*CH3CHO
      [kMACROOHOHMCO3]	MACROOH + OH -> H2O + MCO3
      [kMACROOHOHHO2]	MACROOH + OH -> H2O + HO2 + 0.4*CH3CHO + 0.6*C2H5OOH
      [kMCO3NO2M]	MCO3 + NO2 + M -> MPAN + M
      [kMPANM]		MPAN + M -> MCO3 + NO2 + M
      [kC2H5OHOH]	C2H5OH + OH -> CH3CHO + HO2 + H2O
      [kPCO3NO2M]	PCO3 + NO2 + M -> PCO3PAN + M
      [kPCO3PANM]	PCO3PAN + M  -> PCO3 + NO2 + M
*   === end of organic intermediates ===

*   =================================
*   === methyl-ethyl-ketone cycle ===
*   =================================
      [kMEKOH]			MEK + OH -> MEKO2
      [kMEKOOHOHMEK]		MEKOOH + OH -> H2O + OH + MEK
      [kMEKOOHOHCH3CHO]		MEKOOH + OH -> H2O + OH + CH3CHO + 0.5*MEK
      [kMEKOOHOHCH3COC]		MEKOOH + OH -> H2O + OH + CH3COCHO
*   === end of methyl-ethyl-ketone cycle ===

*   ===================================
*   === lumped alkene species cycle ===
*   ===================================
      [kALKENOOHOHCH3C]		ALKENOOH + OH -> H2O + OH + CH3COCHO
*   === end of lumped alkene species cycle ===

*   ===================================
*   === lumped alkane species cycle ===
*   ===================================
      [kALKANOH]		ALKAN + OH -> ALKANO2
      [kALKANOOHOHCH3C]		ALKANOOH + OH -> H2O + OH + CH3CHO
      [kALKANOOHOHMEK]		ALKANOOH + OH -> H2O + OH + MEK
*   === end of lumped alkane species cycle ===

*   =====================================
*   === lumped aromatic species cycle ===
*   =====================================
      [kAROMOOHOHOH] 	AROMOOH + OH -> H2O + OH

*** Next reaction in 2 lines (products doubled)
      [kAROMOOHOH1] 	AROMOOH + OH -> 2.0*H2O + 2.0*OH + 2.0*HO2 + 2.0*CO
      [kAROMOOHOH2] 	AROMOOH + OH -> 2.0*CH3CO3
*   === end of lumped aromatic species cycle ===

*   =====================================
*   === extra organic peroxy radicals ===
*   =====================================
      [kXOOHOHOH] 	XOOH + OH -> H2O + OH
*   === end of extra organic peroxy radicals ===

*   First set of heterogeneous reactions on sulfates (see below for the second set)
*   =============================
*   === reactions on aerosols ===
*   =============================
      [kN2O5SO4] 		N2O5 -> 2 * HNO3
      [kNO2SO4]	  	NO2 -> 0.5*HNO3+0.5*HNO2
      [kNO3SO4]  		NO3 -> HNO3
      [kHO2SO4]  		HO2 -> 0.5*H2O2+0.5*O2

*   ==================================================
*   === end of section with special rate constants ===
*   ==================================================



*   ================================
*   === Arrhenius-type reactions ===
*   ================================
      [kRn222] 		Rn222 -> Pb210 ; 2.100e-06
      [kMCFOH] 		MCF + OH -> H2O ; 1.800e-12, -1550

*   === inorganic species ===
      [kOO3] 		O + O3 -> 2.0*O2 ; 8.0e-12, -2060
      [kO1DO3] 		O1D + O3 -> 2.0*O2 ; 1.2e-10

*     Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997)
      [kO1DN2] 		O1D + N2 -> O + N2 ; 1.8e-11, 107
      
*     Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997)
      [kO1DO2] 		O1D + O2 -> O + O2 ; 3.2e-11, 67

      [kO1DH2O] 	O1D + H2O -> 2 * OH ; 2.2e-10
      [kO1DH2]  	O1D + H2 -> OH + H ; 1.1e-10

      [kN2OO1D2NO] 	N2O + O1D -> 2.0*NO ; 6.7e-11

*     Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997)
      [kN2OO1DN2] 	N2O + O1D -> N2 + O2 ; 4.4e-11

      [kNOHO2]  	NO + HO2 -> NO2 + OH ; 3.5e-12, 250

*     Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997)
      [kNOO3]  		NO + O3 -> NO2 + O2 ; 1.80e-12, -1370

      [kNO2O] NO2 + O -> NO + O2 ; 6.5e-12, 120

*     DeMore,W.B. et al.; JPL Publication 97-4 ,  (1997)
      [kNO2O3] NO2 + O3 -> NO3 + O2 ; 1.2e-13, -2450
      
*     Hall, I.W.; Wayne, R.P.; Cox, R.A.; Jenkin, M.E.; Hayman, G.D.
      [kNO3HO2] NO3 + HO2 -> 0.4*HNO3 + 0.6*OH + 0.6*NO2 ; 2.3e-12, 170

*     Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997)
      [kNO3NO] NO3 + NO -> 2.0*NO2 ; 1.8e-11, 110

*     DeMore,W.B. et al.; JPL Publication 02-25 ,  (2003)
      [kHNO2OH] HNO2 + OH -> H2O + NO2 ; 1.80e-11, -390

*     DeMore,W.B. et al.; JPL Publication 97-4 ,  (1997)
      [kHNO4OH] HNO4 + OH -> H2O + NO2 + O2 ; 1.30e-12, 380

      [kOOH] O + OH -> H + O2 ; 2.2e-11, 120
      [kHO2O] HO2 + O -> OH + O2 ; 3.0e-11, 200

*     Atkinson,R.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997)
      [kOHO3] OH + O3 -> HO2 + O2 ; 1.90e-12, -1000

      [kHO2O3] HO2 + O3 -> OH + 2.0*O2 ; 1.1e-14, -500
      [kH2O2OH] H2O2 + OH -> H2O + HO2 ; 2.9e-12, -160
      [kOHHO2] OH + HO2 -> H2O + O2 ; 4.8e-11, 250
      [kOHOH] OH + OH -> H2O + O ; 4.2e-12, -240

*     DeMore,W.B. et al.; JPL Publication 97-4 ,  (1997)
      [kH2OH] H2 + OH -> H2O + H; 5.5e-12, -2000

      [kNO2NO] N + O2 -> NO + O ; 1.5e-11, -3600
      [kNNO] N + NO -> N2 + O ; 2.1e-11, 100
      
      [kHO3] H + O3 -> OH + O2 ; 1.0e-10, -367
      [kHNO2] H + NO2 -> OH + NO ; 4.0e-10, -340
      [kHHO2OH] H + HO2 -> 2.0*OH ; 7.2e-11
      [kHHO2H2] H + HO2 -> H2 + O2 ; 5.6e-12
      [kHHO2H2O] H + HO2 -> H2O + O ; 2.4e-12

*   === organic species ===

*   =====================
*   === methane cycle ===
*   =====================
*     DeMore,W.B. et al.; JPL Publication 97-4 ,  (1997)
      [kCH4OH] CH4 + OH -> CH3 + H2O ; 2.45e-12, -1775
      
      [kCH4O1DCH3O2] CH4 + O1D -> CH3 + OH ; 2.25e-10
      [kCH4O1DH2] CH4 + O1D -> H2 + CH2O ; 3.75e-11
      [kCH4O1DCH3OH] CH4 + O1D -> CH3OH ; 4.98e-11
      [kCH3O2NO] CH3O2 + NO -> CH3O + NO2 ; 3.0e-12, 280
      [kCH3O2NO3] CH3O2 + NO3 -> CH3O + NO2 + O2 ; 3.1e-12
      [kCH3OO2] CH3O + O2 -> CH2O + HO2 ; 3.9e-14, -900
      [kCH3ONO2] CH3O + NO2 -> HNO2 + CH2O ; 1.1e-11, -1200

*     Atkinson,R.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997)
      [kCH3OHOH] CH3OH + OH -> CH2O + HO2 + H2O ; 3.10e-12, -360

      [kCH3O2CH3O2CH2O] 	CH3O2 + CH3O2 -> CH3OH + CH2O + O2 ; 1.5e-13, 190
      [kCH3O2CH3O2CH3O] 	CH3O2 + CH3O2 -> 2.0*CH3O + O2 ; 1.0e-13, 190
      [kCH3O2HO2] 		CH3O2 + HO2 -> CH3OOH + O2 ; 3.8e-13, 800
      [kCH3OOHOHCH2O] 		CH3OOH + OH -> CH2O + OH + H2O ; 1.0e-12, 190
      [kCH3OOHOHCH3O2] 		CH3OOH + OH -> CH3O2 + H2O ; 1.9e-12, 190

*     Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997)
      [kCH2OOH] CH2O + OH -> HCO + H2O ; 8.59e-12, 20

      [kCH2OO] CH2O + O -> OH + HCO ; 3.4e-11, -1600.
      [kCH2ONO3] CH2O + NO3 -> HCO + HNO3 ; 5.8e-16
*   === end of methane cycle ===

      [kCH3O2M]           CH3 + O2 + M -> CH3O2 + M


*   ====================
*   === ethane cycle ===
*   ====================
      [kC2H5O2NO] C2H5O2 + NO -> CH3CHO + HO2 + NO2 ; 2.7e-12, 360
      [kC2H5O2NO3] C2H5O2 + NO3 -> CH3CHO + HO2 + NO2 ; 2.4e-12
      [kC2H5O2HO2] C2H5O2 + HO2 -> C2H5OOH + O2 ; 4.40e-13, 900

*** Next reaction in 2 lines (products doubled)
      [kC2H5O2CH3O21] C2H5O2 + CH3O2 -> 1.48*CH2O + 1.48*CH3CHO + 1.92*HO2 + 0.52*CH3OH ; 1.0e-13
      [kC2H5O2CH3O22] C2H5O2 + CH3O2 -> 0.52*C2H5OH ; 1.0e-13

      [kC2H5O2C2H5O2] C2H5O2 + C2H5O2 -> 1.63*CH3CHO + 1.26*HO2 + 0.37*C2H5OH ; 9.8e-14, 100
      [kC2H5OOHOHC2H5O] C2H5OOH + OH -> H2O + C2H5O2 ; 1.9e-12, 190
*   === end of ethane cylce ===

*   =====================
*   === propane cycle ===
*   =====================
*** Next reaction in 2 lines (products doubled)
      [kC3H7O2NO1] C3H7O2 + NO -> 1.44*CH3COCH3 + 0.44*CH3CHO + 1.88*NO2 + 1.88*HO2 ; 1.35e-12, 360
      [kC3H7O2NO2] C3H7O2 + NO -> 0.12*ONITU ; 1.35e-12, 360

      [kC3H7O2NO3] C3H7O2 + NO3 -> 0.766*CH3COCH3 + 0.234*CH3CHO + NO2 + HO2 ; 2.4e-12
      [kC3H7O2HO2] C3H7O2 + HO2 -> C3H7OOH + O2 ; 1.9e-13, 1300

*** Next reaction in 2 lines (products doubled)
      [kC3H7O2CH3O21] C3H7O2 + CH3O2 -> 1.39*CH2O + 1.56*HO2 + 0.256*CH3COCH3 + 0.61*CH3OH ; 2.5916e-12
      [kC3H7O2CH3O22] C3H7O2 + CH3O2 -> 1.134*CH3CHO ; 2.5916e-12

      [kC3H7OOHOHC3H7O] C3H7OOH + OH -> H2O + C3H7O2 ; 1.9e-12, 190

*     Atkinson,R.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997)
      [kCH3COCH3OH] CH3COCH3 + OH -> PROPAO2 + H2O ; 2.81e-12, -760

      [kPROPAO2NO] PROPAO2 + NO -> NO2 + CH2O + CH3CO3 ; 2.7e-12, 360
      [kPROPAO2NO3] PROPAO2 + NO3 -> NO2 + CH2O + CH3CO3 ; 2.4e-12
      [kPROPAO2HO2] PROPAO2 + HO2 -> PROPAOOH + O2 ; 1.9e-13, 1300

*** Next reaction in 2 lines (products doubled)
      [kPROPAO2CH3O11] PROPAO2 + CH3O2 -> 0.46*CH3OH + 1.08*HO2 + 2.62*CH2O + 0.46*CH3COCHO ; 1.9e-12
      [kPROPAO2CH3O22] PROPAO2 + CH3O2 -> 1.08*CH3CO3 ; 1.9e-12

      [kPROPAOOHOHPROP] PROPAOOH + OH -> PROPAO2 + H2O ; 1.9e-12, 190
*   === end of propane cycle ===

*   ===============================
*   === ethene & propene cycles ===
*   ===============================
*** Next reaction in 2 lines (products doubled)
*     DeMore,W.B.; Chemical kinetics and photochemical data for use in stratospheric modeling. Evaluation number 12, JPL Publication 97-4 ,  (1997)
      [kC2H4O31] C2H4 + O3 -> 2.0*CH2O + 0.92*CO + 0.32*HO2 + 0.16*OH ; 6.0e-15, -2630
      [kC2H4O32] C2H4 + O3 -> 0.34*CO2 + 0.74*O3OLSB ; 6.0e-15, -2630

*** Next reaction in 3 lines (products tripled)
*     DeMore,W.B.; Chemical kinetics and photochemical data for use in stratospheric modeling. Evaluation number 12, JPL Publication 97-4 ,  (1997)
      [kC3H6O31] C3H6 + O3 -> 1.8972*CH2O+1.023*CH3O2+0.2604*CH4+1.2498*CO ; 2.17e-15, -1900
      [kC3H6O32] C3H6 + O3 -> 0.0372*CH3OH+0.6288*HO2+0.7422*OH+1.14*CH3CHO ; 2.17e-15, -1900
      [kC3H6O33] C3H6 + O3 -> 0.8262*CO2+0.924*O3OLSB ; 2.17e-15, -1900

      [kPROPEO2NO] PROPEO2 + NO -> CH3CHO + CH2O + HO2 + NO2  ; 2.7e-12, 360
      [kPROPEO2NO3] PROPEO2 + NO3 -> CH3CHO + CH2O + HO2 + NO2  ; 2.4e-12
      [kPROPEO2HO2] PROPEO2 + HO2 -> PROPEOOH + O2  ; 1.9e-13, 1300

*** Next reaction in 2 lines (products doubled)
      [kPROPEO2CH3O21] PROPEO2 + CH3O2 -> 0.61*CH3OH + 1.56*HO2 + 2.17*CH2O + 0.064*CH3COCHO ; 3.7915e-13
      [kPROPEO2CH3O22] PROPEO2 + CH3O2 -> 0.78*CH3CHO + 0.546*CH3COCH3; 3.7915e-13

      [kPROPEOOHOH] PROPEOOH + OH -> H2O + PROPEO2 ; 1.9e-12 , 190

*     DeMore,W.B.; Chemical kinetics and photochemical data for use in stratospheric modeling. Evaluation number 12, JPL Publication 97-4 ,  (1997)
      [kCH3CHOOH] CH3CHO + OH -> CH3CO3 + H2O ; 5.6e-12, 270

      [kCH3CHONO3] CH3CHO + NO3 -> CH3CO3 + HNO3 ; 1.4e-12, -1860
      [kCH3CO3NO] CH3CO3 + NO -> CH3O2 + CO2 + NO2 ; 5.3e-12, 360
      [kCH3CO3NO3] CH3CO3 + NO3 -> CH3O2 + CO2 + NO2 ; 5.0e-12
      [kCH3CO3HO2] CH3CO3 + HO2 -> 0.7*CH3COOOH + 0.3*CH3COOH + 0.3*O3 + 0.7*O2 ; 4.3e-13, 1040
      [kCH3CO3CH3CO3] CH3CO3 + CH3CO3 -> 2.0*CH3O2 + 2.0*CO2 ; 2.3e-12, 530

*** Next reaction in 2 lines (products doubled and rate constant/2)
      [kCH3CO3CH3O21] CH3CO3 + CH3O2 -> 1.72*CH3O2 + 1.72*CH2O + 1.72*HO2 + 1.72*CO2 ; 6.5e-13, 640
      [kCH3CO3CH3O22] CH3CO3 + CH3O2 -> 0.28*CH3COOH + 0.28*CH2O + 2.0*O2 ; 6.5e-13, 640

      [kCH3COOOHOH] CH3COOOH + OH -> CH3CO3 + H2O ; 1.9e-12, 190
*   === end of ethene & propene cycles ===

*   ======================
*   === isoprene cycle === now includes SOA production (0.2% molar yield, Claeys et al., 2004; added to ASPOMM)
*   ======================
*     linear fit to all existing data, reduces rate coeff.
      [kISOPOH] ISOP + OH -> ISOPO2 + 0.002*ASPOMM ; 2.89e-11, 335

*** Next reaction in 3 lines (products tripled)
*   Treacy,J.; El Hag,M.; O'Farrell,D.; Sidebottom,H., 1992
*   20% increased
      [kISOPO31] ISOP + O3 -> 1.26*MACR+0.48*MVK+0.54*OH+0.15*C3H6 ; 3.12e-15, -1913
      [kISOPO32] ISOP + O3 -> 1.26*CH2O+0.81*CO+0.27*HO2+1.32*O3OLSB ; 3.12e-15, -1913
      [kISOPO33] ISOP + O3 -> 0.21*H2+0.45*CO2 ; 3.12e-15, -1913

      [kISOPNO3] ISOP + NO3 -> ISOPNO3 ; 3.03e-12, -446

*** Next reaction in 2 lines (products doubled)
      [kISOPO2NO1] ISOPO2 + NO -> 0.808*MACR+0.708*MVK+1.216*CH2O+1.52*HO2 ; 1.35e-12, 360
      [kISOPO2NO2] ISOPO2 + NO -> 1.76*NO2+0.24*ONITR+0.24*XO2 ; 1.35e-12, 360

*** Next reaction in 2 lines (products doubled)
      [kISOPO2NO31] ISOPO2 + NO3 -> 0.92*MACR+0.806*MVK+1.38*CH2O+1.728*HO2 ; 1.2e-12
      [kISOPO2NO32] ISOPO2 + NO3 -> 2.0*NO2+0.272*XO2 ; 1.2e-12

*** Next reaction in 2 lines (products doubled)
      [kISOPO2HO21] ISOPO2 + HO2 -> 0.858*MVK+1.012*MACR+1.478*CH2O+1.734*HO2 ; 9.5e-14, 1300
      [kISOPO2HO22] ISOPO2 + HO2 -> 2.0*XOOH+0.266*XO2 ; 9.5e-14, 1300

*** Next reaction in 2 lines (products doubled)
      [kISOPO2CH3O21] ISOPO2 + CH3O2 -> 0.41*MVK+0.702*MACR+1.82*CH2O+1.406*HO2 ; 6.65e-13
      [kISOPO2CH3O22] ISOPO2 + CH3O2 -> 0.274*XO2+0.61*CH3OH ; 6.65e-13

*** Next reaction in 2 lines (products doubled)
      [kISOPO2CH3CO31] ISOPO2 + CH3CO3 -> 0.592*MVK+1.008*MACR+0.794*CH2O+1.16*HO2 ; 3.98e-12
      [kISOPO2CH3CO32] ISOPO2 + CH3CO3 -> 0.396*XO2+0.55*CH3COOH+1.45*CH3O2+1.45*CO ; 3.98e-12

*** Next reaction in 2 lines (products doubled)
      [kISOPNO3NO1] ISOPNO3 + NO -> 2.412*NO2+1.588*HO2+0.144*CH2O+0.334*MACR ; 1.35e-12, 360
      [kISOPNO3NO2] ISOPNO3 + NO -> 0.078*MVK+1.588*ONITR ; 1.35e-12, 360

*** Next reaction in 2 lines (products doubled)
      [kISOPNO3NO31] ISOPNO3 + NO3 -> 2.412*NO2+1.588*HO2+0.144*CH2O+0.334*MACR ; 1.2e-12
      [kISOPNO3NO32] ISOPNO3 + NO3 -> 0.078*MVK+1.588*ONITR ; 1.2e-12

*** Next reaction in 2 lines (products doubled)
      [kISOPNO3HO21] ISOPNO3 + HO2 -> 2.0*XOOH+0.412*NO2+1.588*HO2+0.016*CH2O ; 9.5e-14, 1300
      [kISOPNO3HO22] ISOPNO3 + HO2 -> 0.334*MACR+0.078*MVK+1.588*ONITR ; 9.5e-14, 1300

*** Next reaction in 2 lines (products doubled)
      [kISOPNO3CH3O21] ISOPNO3 + CH3O2 -> 0.12*NO2+1.422*HO2+1.394*CH2O+0.118*MACR ; 8.74549e-13
      [kISOPNO3CH3O22] ISOPNO3 + CH3O2 -> 0.002*MVK+1.27*ONITR+0.61*CH3OH ; 8.74549e-13
*   === end of isoprene cycle ===

*   ==========================
*   === alpha-pinene cycle ===
*   ==========================
*     10% reduced
      [kAPINOH] APIN + OH -> APINO2; 2.0736e-11, 444

*      APIN + O3 -> 0.125*O3OLSB + 0.56*OH + 0.56*APINO3 ; 1.01e-15, -732
*     15% increased
*     Now is above with SOA formation
*     [kAPINO3] APIN + O3 -> 0.125*O3OLSB + 0.56*OH + 0.56*APINO3 ; 1.1615e-15, -732

* Increased reactivity due to SOA: 1.19*1.59=1.8921
      [kAPINNO3] APIN + NO3 -> APINO2 + NO2 ; 1.8921e-12, 490
      [kAPINO2NO] APINO2 + NO -> NO2 + HO2 + PCHO ; 2.70e-12, 360
      [kAPINO2NO3] APINO2 + NO3 ->  NO2 + HO2 + PCHO ; 2.40e-12
      [kAPINO2HO2] APINO2 + HO2 -> XOOH + HO2 + PCHO ; 1.9e-13, 1300
      [kAPINO2CH3O2] APINO2 + CH3O2 -> 0.305*CH3OH + 1.085*CH2O + 0.39*PCHO + 0.39*HO2 ; 1.22e-13

*** Next reaction in 2 lines (products doubled)
      [kAPINO2CH3CO31] APINO2 + CH3CO3 -> 1.45*CO2+1.45*CH3O2+1.45*PCHO+1.45*HO2 ; 3.685e-13
      [kAPINO2CH3CO32] APINO2 + CH3CO3 -> 0.55*CH3COOH ; 3.685e-13

      [kAPINO3NO] APINO3 + NO -> 1.0*NO2 + 1.0*CO2 + 1.0*CH3COCH3 + 2.0*PROPEO2 ; 5.3e-12, 360

      [kAPINO3NO3] APINO3 + NO3 -> 1.0*NO2 + 1.0*CO2 + 1.0*CH3COCH3 + 2.0*PROPEO2 ; 5.0e-12

      [kAPINO3HO2] APINO3 + HO2 -> 0.3*O3+0.3*CH3COOH+0.7*CH3COOOH+0.7*O2 ; 4.3e-13, 1040

*** Next reaction in 2 lines (products doubled)
      [kAPINO3CH3O21] APINO3 + CH3O2 -> 0.67*CH2O+2.0*CO2+1.33*CH2O+1.33*HO2 ; 2.26e-12
      [kAPINO3CH3O22] APINO3 + CH3O2 -> 1.33*CH3COCH3+2.66*PROPEO2 ; 2.26e-12

      [kAPINO3CH3CO3] APINO3 + CH3CO3 -> 2.0*CO2 + 1.0*CH3O2 + 1.0*CH3COCH3 + 2.0*PROPEO2 ;4.6e-12, 530

      [kAPINO3APINO3] APINO3 + APINO3 -> 2.0*CO2 + 2.0*CH3COCH3 + 4.0*PROPEO2 ; 2.3e-12, 530

*   === end of alpha-pinene cycle ===

*   ================================================
*   === oxidation cycle of organic intermediates ===
*   ================================================
      [kMACROH] MACR + OH -> 0.5*MACRO2 + 0.5*MCO3 + 0.5*H2O ; 1.86e-11, 175

*** Next reaction in 2 lines (products trippled)
      [kMACRO31] MACR + O3 -> 1.6*CH3COCHO + 0.26*HO2 + 0.74*CO + 0.2*H2 ; 6.795e-16, -2112
      [kMACRO32] MACR + O3 -> 0.68*CH2O + 0.4*OH + 0.28*CO2 + 0.7*O3OLSB ; 6.795e-16, -2112

      [kMVKOH] MVK + OH -> MACRO2 ; 2.67e-12, 452

*** Next reaction in 2 lines (products trippled))
      [kMVKO31] MVK + O3 -> 0.1*CH2O + 1.9*CH3COCHO + 0.16*OH + 0.3*HO2 ; 3.75495e-16, -1521
      [kMVKO32] MVK + O3 -> 0.88*CO + 0.32*CO2 + 0.7*O3OLSB + 0.24*H2 ; 3.75495e-16, -1521

*** Next reaction in 2 lines (products doubled)
      [kMACRO2NO1] MACRO2 + NO -> 0.03*ONITR+1.97*NO2+1.97*HO2+0.316*CH2O ; 1.35e-12, 360
      [kMACRO2NO2] MACRO2 + NO -> 0.316*CH3COCHO+1.656*CO+1.656*CH3COCHO ; 1.35e-12, 360

*** Next reaction in 2 lines (products doubled)
      [kMACRO2NO31] MACRO2 + NO3 -> 2.0*NO2+2.0*HO2+0.32*CH2O+0.32*CH3COCHO ; 1.2e-12
      [kMACRO2NO32] MACRO2 + NO3 -> 1.68*CO+1.68*CH3COCHO ; 1.2e-12

      [kMACRO2HO2] MACRO2 + HO2 -> MACROOH ; 1.9e-13, 1300

*** Next reaction in 2 lines (products doubled)
      [kMACRO2CH3O21] MACRO2 + CH3O2 -> 1.832*HO2+2.126*CH2O+0.916*CO+0.916*CH3COCHO ; 2.0644e-13
      [kMACRO2CH3O22] MACRO2 + CH3O2 -> 0.458*CH3OH+0.916*CH3CHO ; 2.0644e-13

*** Next reaction in 2 lines (products trippled)
      [kMACRO2CH3CO31] MACRO2 + CH3CO3 -> 1.588*CO2 + 1.588*CH3O2 + 0.5*CO + 1.588*HO2 ; 1.2375e-12
      [kMACRO2CH3CO32] MACRO2 + CH3CO3 -> 1.588*CH3COCHO + 0.412*CH3COOH + 0.824*CH3CHO + 1.088*CH2O ; 1.2375e-12

      [kMACROOHOH] MACROOH + OH -> H2O + MACRO2 ;  1.9e-12, 190
      [kMCO3NO] MCO3 + NO -> NO2 + CH2O + CH3CO3 ; 5.3e-12, 360
      [kMCO3NO3] MCO3 + NO3 -> NO2 + CH2O + CH3CO3 ; 5.0e-12
      [kMCO3HO2] MCO3 + HO2 -> 0.3*O3+0.3*CH3COOH+0.7*CH3COOOH+0.7*O2 ; 4.3e-13, 1040

      [kMCO3CH3O2] MCO3 + CH3O2 -> 1.665*CH2O + 0.665*HO2 + 0.665*CH3CO3 + 0.665*CO2 ; 4.52e-12

      [kMCO3CH3CO3] MCO3 + CH3CO3 -> 2.0*CO2 + 1.0*CH3O2 + 1.0*CH2O + 1.0*CH3CO3 ; 4.6e-12, 530

      [kMCO3MCO3] MCO3 + MCO3 -> 2.0*CO2 + 2.0*CH2O + 2.0*CH3CO3 ; 2.3e-12, 530

*     Tyndall,G.S. et al.; Int. J. Chem. Kinet. 27, 1009-1020 (1995)
      [kCH3COCHOOH] CH3COCHO + OH -> CH3CO3 + CO + H2O ; 8.4e-13, 830

      [kCH3COCHONO3] CH3COCHO + NO3 -> HNO3 + CO + CH3CO3 ; 1.4e-12, -1860
      [kPCHOOH] PCHO + OH -> PCO3 + H2O ; 9.1e-11
      [kPCHONO3] PCHO + NO3 -> PCO3 + HNO3 ; 5.4e-14

      [kPCO3NO] PCO3 + NO -> 1.0*NO2 + 1.0*CO2 + 1.0*XO2 + 1.0*PROPEO2 ; 5.3e-12, 360

      [kPCO3NO3] PCO3 + NO3 -> 1.0*NO2 + 1.0*CO2 + 1.0*XO2 + 1.0*PROPEO2 ; 5.0e-12

      [kPCO3HO2] PCO3 + HO2 -> 0.3*O3+0.7*O2+0.3*CH3COOH+0.7*CH3COOOH ; 4.3e-13, 1040
      [kPCO3CH3O2] PCO3 + CH3O2 -> CH2O + 0.665*HO2 + 0.665*XO2 + 0.665*PROPEO2 ; 4.52e-12

      [kPCO3CH3CO3] PCO3 + CH3CO3 -> 2.0*CO2 + 1.0*PROPEO2 + 1.0*XO2 + 1.0*CH3O2 ; 4.6e-12, 530

      [kPCO3PCO3] PCO3 + PCO3 -> 2.0*CO2 + 2.0*PROPEO2 + 2.0*XO2 ; 2.3e-12, 530
*   === end of organic intermediates ===

*   ========================
*   === organic nitrates ===
*   ========================
*** Next reaction in 2 lines (products doubled)
      [kONITUOH1] ONITU + OH -> 1.388*ONITUO2+0.5*HNO3+0.5*HO2+0.6*CH3COCH3 ; 9.15e-13
      [kONITUOH2] ONITU + OH -> 0.1*NO2 ; 9.15e-13

*** Next reaction in 2 lines (products doubled)
      [kONITUO2NO1] ONITUO2 + NO -> 2.588*NO2+0.8*HO2+0.79*XO2+1.412*ONITR ; 1.35e-12, 360
      [kONITUO2NO2] ONITUO2 + NO -> 0.232*CH2O+0.772*CH3CHO+0.418*MEK ; 1.35e-12, 360

*** Next reaction in 2 lines (products doubled)
      [kONITUO2NO31] ONITUO2 + NO3 -> 2.588*NO2+0.8*HO2+0.79*XO2+1.412*ONITR ; 1.2e-12
      [kONITUO2NO32] ONITUO2 + NO3 -> 0.232*CH2O+0.772*CH3CHO+0.418*MEK ; 1.2e-12

      [kONITUO2HO2] ONITUO2 + HO2 -> 0.7*ONITR+0.3*ONITUO2 ; 1.9e-13, 1300

      [kONITROH] ONITR + OH -> MCO3 + 0.75*HNO3 + 0.25*NO2 + 0.25*H2O; 1.5e-11
      [kONITRNO3] ONITR + NO3 -> MCO3 + 0.4*HNO3 + 0.8*NO2 + 0.5*NO; 1.4e-12, -1860
*   === end of organic nitrates ===

*   =================================
*   === methyl-ethyl-ketone cycle ===
*   =================================
*** Next reaction in 2 lines (products doubled)
      [kMEKO2NO1] MEKO2 + NO -> 2.0*NO2+2.658*CH3CHO+1.2*CH3CO3+0.14*CH2O ; 1.35e-12, 360
      [kMEKO2NO2] MEKO2 + NO -> 0.8*HO2+0.394*MEK ; 1.35e-12, 360

*** Next reaction in 2 lines (products doubled)
      [kMEKO2NO31] MEKO2 + NO3 -> 2.0*NO2+2.658*CH3CHO+1.2*CH3CO3+0.14*CH2O ; 1.2e-12
      [kMEKO2NO32] MEKO2 + NO3 -> 0.8*HO2+0.394*MEK ; 1.2e-12

      [kMEKO2HO2] MEKO2 + HO2 -> MEKOOH ; 1.9e-13, 1300

*** Next reaction in 2 lines (products doubled)
      [kMEKO2CH3O21] MEKO2 + CH3O2 -> 0.61*CH3OH+1.398*HO2+1.5*CH2O+0.16*CH3CO3 ; 4.882e-13
      [kMEKO2CH3O22] MEKO2 + CH3O2 -> 0.59*MEK+0.084*CH3COCHO+1.29*CH3CHO ; 4.882e-13

      [kMEKOOHOH] MEKOOH + OH -> H2O + MEKO2; 1.9e-12, 190
*   === end of methyl-ethyl-ketone cycle ===

*   ===================================
*   === lumped alkene species cycle ===
*   ===================================
      [kALKENOH] ALKEN + OH -> ALKENO2 ; 9.19e-12, -522.22

*** Next reaction in 3 lines (products tripled)
      [kALKENO31] 	ALKEN + O3 -> 2.7*CH3CHO + 0.27*CH3COCH3 + 1.26*OH + 0.84*O3OLSB ; 1.64e-15, -1054.84
      [kALKENO32] 	ALKEN + O3 -> 0.69*ALKENO2 + 0.24*CH4 + 0.06*C2H6 + 0.9*CO ; 1.64e-15, -1054.84
      [kALKENO33] 	ALKEN + O3 -> 0.03*CH3OH + 1.02*CH3O2 ; 1.64e-15, -1054.84


      [kALKENNO3] 	ALKEN + NO3 -> ALKENO2 + NO2 ; 3.95e-12, -327.93

*** Next reaction in 2 lines (products doubled)
      [kALKENO2NO1] 	ALKENO2 + NO -> 0.068*ONITU+1.932*NO2+1.932*HO2+0.812*CH2O ; 1.35e-12, 360
      [kALKENO2NO2] 	ALKENO2 + NO -> 3.332*CH3CHO+0.76*CH3COCH3 ; 1.35e-12, 360

*** Next reaction in 2 lines (products doubled)
      [kALKENO2NO31] 	ALKENO2 + NO3 -> 2.0*NO2+2.0*HO2+0.84*CH2O+1.448*CH3CHO ; 1.2e-12, 360
      [kALKENO2NO32] 	ALKENO2 + NO3 -> 0.786*CH3COCH3 ; 1.2e-12, 360

      [kALKENO2HO2] 	ALKENO2 + HO2 -> ALKENOOH ; 1.9e-13, 1300

*** Next reaction in 2 lines (products doubled)
      [kALKENO2CH3O21] 	ALKENO2 + CH3O2 -> 0.61*CH3OH+0.78*HO2+1.39*CH2O+0.78*HO2 ; 6.1e-14
      [kALKENO2CH3O22] 	ALKENO2 + CH3O2 -> 0.128*CH2O+0.53*CH3CHO+0.12*CH3COCH3+0.61*CH3COCHO ; 6.1e-14

      [kALKENOOHOH] 	ALKENOOH + OH -> H2O + ALKENO2 ; 1.9e-12, 190
*   === end of lumped alkene species cycle ===

*   ===================================
*   === lumped alkane species cycle ===
*   ===================================
*** Next reaction in 3 lines (products tripled)
      [kALKANO2NO1] 	ALKANO2 + NO -> 0.021*CH2O+1.086*CH3CHO+0.867*CH3COCH3+1.236*MEK ; 9.0e-13, 360
      [kALKANO2NO2] 	ALKANO2 + NO -> 0.246*CH3O2+0.804*XO2+2.397*NO2+1.347*HO2 ; 9.0e-13, 360
      [kALKANO2NO3] 	ALKANO2 + NO -> 0.6*ONITU ; 9.0e-13, 360

*** Next reaction in 2 lines (products doubled)
      [kALKANO2NO31] 	ALKANO2 + NO3 -> 2.0*NO2+1.124*HO2+0.672*XO2+0.202*CH3O2 ; 1.2e-12
      [kALKANO2NO32] 	ALKANO2 + NO3 -> 1.034*MEK+0.002*CH2O+0.908*CH3CHO ; 1.2e-12

      [kALKANO2HO2] 	ALKANO2 + HO2 -> ALKANOOH ; 1.9e-13, 1300

*** Next reaction in 2 lines (products doubled)
      [kALKANO2CH3O21] 	ALKANO2 + CH3O2 -> 0.61*CH3OH+1.252*HO2+1.392*CH2O+0.63*MEK ; 1.88262e-13
      [kALKANO2CH3O22] 	ALKANO2 + CH3O2 -> 0.28*XO2+0.024*CH3O2+0.09*CH3COCH3+0.884*CH3CHO ; 1.88262e-13

      [kALKANOOHOH] 	ALKANOOH + OH -> H2O + ALKANO2 ; 1.9e-12, 190
*   === end of lumped alkane species cycle ===

*   =====================================
*   === lumped aromatic species cycle ===
*   =====================================
* For SOA species, factors 0.032 and 0.116 are the mass based yields 0.049 and 0.178
* corrected based on molecular weights, 97.80/150
      [kAROMOH]         AROM + OH -> 0.77*AROMO2+0.212*HO2+0.032*ARp1g+0.116*ARp2g ; 1.01e-11, 58.45

*** Next reaction in 2 lines (products doubled)
      [kAROMO2NO1] 	AROMO2 + NO -> 2.0*NO2+3.316*HO2+0.846*CH3COCHO+1.316*CO ; 1.35e-12, 360
      [kAROMO2NO2] 	AROMO2 + NO -> 1.316*CH3CO3 ; 1.35e-12, 360

*** Next reaction in 2 lines (products doubled)
      [kAROMO2NO31] 	AROMO2 + NO3 -> 2.0*NO2+3.316*HO2+0.846*CH3COCHO+1.316*CO ; 1.2e-12
      [kAROMO2NO32] 	AROMO2 + NO3 -> 1.316*CH3CO3 ; 1.2e-12

      [kAROMO2HO2] 	AROMO2 + HO2 -> AROMOOH ; 1.9e-13, 1300

*** Next reaction in 2 lines (products doubled)
      [kAROMO2CH3O21] 	AROMO2 + CH3O2 -> 0.61*CH3OH+1.83*HO2+1.39*CH2O+0.174*CH3COCHO ; 1.155e-13
      [kAROMO2CH3O22] 	AROMO2 + CH3O2 -> 0.27*CO+0.27*CH3CO3 ; 1.155e-13

      [kAROMOOHOHAROMO] AROMOOH + OH -> H2O + AROMO2 ; 1.9e-12, 190
*   === end of lumped aromatic species cycle ===

*   =====================================
*   === extra organic peroxy radicals ===
*   =====================================
      [kXO2NO] 		XO2 + NO -> NO2 + HO2 ; 2.7e-12, 360
      [kXO2NO3] 	XO2 + NO3 -> NO2 + HO2 ; 2.4e-12
      [kXO2HO2] 	XO2 + HO2 -> XOOH ; 1.9e-13, 1300
      [kXO2CH3O2] 	XO2 + CH3O2 -> 0.305*CH3OH + 0.39*HO2 + 0.695*CH2O ; 1.22e-13
      [kXO2CH3CO3] 	XO2 + CH3CO3 -> 0.275*CH3COOH + 0.725*CO2 + 0.725*CH3O2 ; 7.37e-13
      [kXOOHOHXO2] 	XOOH + OH -> H2O + XO2 ; 1.9e-12, 190
*   === end of extra organic peroxy radicals ===

*     other reactions (mostly for testing)
*      N + NO2 -> N2O + O ; 5.8e-12, 220

*   =========================================================
*   === end of section with Arrhenius type rate constants ===
*   =========================================================


      [kH2SOH] 		H2S + OH -> SO2 + HO2 ; 6.e-12, -75.
      [kDMSOHCH2O] 	DMS + OH -> SO2 + 2 CH2O ; 9.6e-12, -234.
      [kDMSNO3] 	DMS + NO3 -> SO2 +NO2 + 2 CH2O ; 1.9e-13,500
      [kDMSOOH] 	DMSO + OH -> 0.6*SO2 + 0.4*ASMSAM + 1.5*CH2O ; 5.8e-11, 0.
      [kAIBCM]		AIBCM -> ASBCM ; 9.645e-06
      [kAIPOMM]		AIPOMM -> ASPOMM ; 9.645e-06
      [kAIN]		AIN -> ASN ; 9.645e-06

*    PLUME fuel tracers
      [kCAIRFUEL]   CAIRFUEL -> ; 1.38889e-4
      [kMAIRFUEL]   MAIRFUEL -> ; 1.38889e-4

* see usrrxt.F for these reactions
      [kCAIRFUELNO] CAIRFUEL -> CAIRFUEL + NO
      [kMAIRFUELNO] MAIRFUEL -> MAIRFUEL + NO
      [kCAIRFUELO31] CAIRFUEL -> CAIRFUEL + O3
      [kMAIRFUELO31] MAIRFUEL -> MAIRFUEL + O3
      [kCAIRFUELO32] CAIRFUEL + O3 -> CAIRFUEL
      [kMAIRFUELO32] MAIRFUEL + O3 -> MAIRFUEL
      [kCAIRFUELHNO3] CAIRFUEL -> CAIRFUEL + HNO3
      [kMAIRFUELHNO3] MAIRFUEL -> MAIRFUEL + HNO3

* New set of gas phase reactions for NH3/NH4/NO3. DH.

      [kNH3OH]  NH3 + OH -> NH2 + H2O ; 1.7e-12, -710.
      [kNH3O1D] NH3 + O1D -> NH2 + OH ; 2.5e-10
      [kNH2NO2] NH2 + NO2 -> N2O + H2O ; 2.1e-12, 650.
      [kNH2HO2] NH2 + HO2 -> NH3 + O2 ; 3.4e-11
      [kNH2NO]  NH2 + NO -> N2 + H2O ; 4.0e-12, 450.
      [kNH2O3]  NH2 + O3 -> NH2O + O2 ; 4.3e-12, -930.
      [kNH2O2]  NH2 + O2 -> NO + H2O ; 6.0e-21
      [kNH2OO3] NH2O + O3 -> NH2 + 2 O2 ; 4.3e-12, -930.
      [kNH2ONO] NH2O + NO -> NH2 + NO2 ; 4.0e-12, 450.

* Second set of heterogeneous reactions. DH.

* On sulfates
      [kNH3SO4]  NH3  -> ASNH4M

* On seasalt
      [kN2O5SS]  N2O5 -> 
      [kHNO3SS1] HNO3 -> CSNO3M
      [kHNO3SS2] HNO3 -> CSNO3M
      [kNO2SS]   NO2  -> 0.5*HNO3+0.5*HNO2
      [kNO3SS]   NO3  -> HNO3
      [kHO2SS]   HO2  -> 0.5*H2O2 + 0.5*O2
      [kO3SS]    O3   ->
      [kSO2SS]   SO2  -> CSSO4M

* On dust
      [kN2O5DUST] N2O5 -> 2 * HNO3
      [kNO2DUST]  NO2  -> 0.5*HNO3+0.5*HNO2
      [kNO3DUST]  NO3  -> HNO3
      [kHO2DUST]  HO2  -> 0.5*H2O2 + 0.5*O2
      [kO3DUST]   O3   ->
      [kSO2DUST]  SO2  -> CSSO4M
      [kHNO3DUST] HNO3 -> CINO3M

* On carbonaceaous aerosols
      [kN2O5BC] N2O5 -> 2 * HNO3
      [kNO2BC]  NO2  -> HNO2
      [kNO3BC]  NO3  -> HNO3
      [kHO2BC]  HO2  -> 0.5*H2O2 + 0.5*O2
      [kO3BC]   O3   ->
      [kSO2BC]  SO2  ->
      [kHNO3BC] HNO3 -> HNO2

* Note the following reactions do not appear in this list but are hard coded in INCA since they involve
* equilibrium with the aqueous phase. DH.
*
*     SO2 + O3   -> ASSO4M
*     SO2 + H2O2 -> ASSO4M
*     NH3 + HNO3 -> ASNH4M + ASNO3M

   Endent

   Heterogeneous
   HNO3
   H2O2
   HNO2
   HNO4
   CH3OOH
   CH3OH
   CH2O
   C2H5OH
   CH3CHO
   CH3COOH
   CH3COOOH
   CH3COCHO
   CH3COCH3
   C2H5OOH
   MVK
   MEK
   PAN
   ONITR
   ONITU

   C3H7OOH
   PROPEOOH
   PROPAOOH
   PCHO
   MACROOH
   MEKOOH
   ALKANOOH
   ALKENOOH
   AROMOOH
   XOOH

   SO2
   H2S
   DMS
   DMSO
   NH3

   ASSO4M
   ASNH4M
   ASNO3M
   CSNO3M
   CINO3M

      APp1g
      APp2g
      ARp1g
      ARp2g

   Pb210
   Endent

   Ext Forcing
      NO
      O3L
      COLD
      H2
      CAIRFUEL
      MAIRFUEL
      SO2
      ASBCM
      AIBCM
      ASPOMM
      AIPOMM
      ASSO4M
      ASN
      AIN

      N2O
      CH4
      CO
      MCF
      CH3OH
      C2H5OH
      C2H6
      C3H8
      ALKAN
      C2H4
      C3H6
      C2H2
      ALKEN
      AROM
      CH2O
      CH3CHO
      CH3COCH3
      MEK
      MVK
      MACR
      CH3COOH
      ISOP
      APIN
      NH3
      H2S

   Endent

ENDPAR


   TRANSPORT

     hor-advect

        O3, O, O1D, Rn222, Pb210
	MCF, O3I, O3S, H2
	H2O2, N2O, NO
	NO2,  NO3, HNO2
	HNO3, HNO4, N2O5
	CH4
	CO,CH3OOH, CH3OH
	CH2O, C2H6, C2H4
	C3H8, C3H6,C2H2
	ISOP, APIN 
	C2H5OH, CH3CHO
	CH3COOH, CH3COOOH
	CH3COCHO
	CH3COCH3, C2H5OOH
	C3H7OOH, PROPEOOH
	PROPAOOH, PAN, MPAN
	MACR, MVK
	O3OLSB, MEK, PCHO
	ISOPNO3, APINO3
	APINPAN, PCO3PAN
	ONITU,  ONITR	
	ALKAN, ALKEN, AROM
	MACROOH, MEKOOH
	ALKANOOH, ALKENOOH
	AROMOOH, XOOH

        SO2, H2S, DMS, DMSO
        CIDUSTM, CIN
        AIBCM, AIPOMM, AIN
        CSSSM, CSSO4M
        CSMSAM, CSN 
        ASSSM, ASBCM, ASPOMM
        ASSO4M, ASMSAM 
        ASN, SSSSM, SSN

        CAIRFUEL
        MAIRFUEL
        O3L
        COLD

*     Stratospheric Version
      CH3
      HCO

        NH3, NH2, NH2O
        CINO3M, CSNO3M
        ASNH4M, ASNO3M

        APp1g, APp2g
        ARp1g, ARp2g
        ASAPp1a, ASAPp2a
        ASARp1a, ASARp2a

*      	All
     endlst

     ver-advect

        O3, O, O1D, Rn222, Pb210
	MCF, O3I, O3S, H2
	H2O2, N2O, NO
	NO2,  NO3, HNO2
	HNO3, HNO4, N2O5
	CH4
	CO,CH3OOH, CH3OH
	CH2O, C2H6, C2H4
	C3H8, C3H6,C2H2
	ISOP, APIN 
	C2H5OH, CH3CHO
	CH3COOH, CH3COOOH
	CH3COCHO
	CH3COCH3, C2H5OOH
	C3H7OOH, PROPEOOH
	PROPAOOH, PAN, MPAN
	MACR, MVK
	O3OLSB, MEK, PCHO
	ISOPNO3, APINO3
	APINPAN, PCO3PAN
	ONITU,  ONITR	
	ALKAN, ALKEN, AROM
	MACROOH, MEKOOH
	ALKANOOH, ALKENOOH
	AROMOOH, XOOH

        SO2, H2S, DMS, DMSO
        CIDUSTM, CIN
        AIBCM, AIPOMM, AIN
        CSSSM, CSSO4M
        CSMSAM, CSN 
        ASSSM, ASBCM, ASPOMM
        ASSO4M, ASMSAM 
        ASN, SSSSM, SSN

        CAIRFUEL
        MAIRFUEL
        O3L
        COLD

*     Stratospheric Version
      CH3
      HCO
        NH3, NH2, NH2O
        CINO3M, CSNO3M
        ASNH4M, ASNO3M

        APp1g, APp2g
        ARp1g, ARp2g
        ASAPp1a, ASAPp2a
        ASARp1a, ASARp2a

*     	All
     endlst

     convection

        O3, O, O1D, Rn222, Pb210
	MCF, O3I, O3S, H2
	H2O2, N2O, NO
	NO2,  NO3, HNO2
	HNO3, HNO4, N2O5
	CH4
	CO,CH3OOH, CH3OH
	CH2O, C2H6, C2H4
	C3H8, C3H6,C2H2
	ISOP, APIN 
	C2H5OH, CH3CHO
	CH3COOH, CH3COOOH
	CH3COCHO
	CH3COCH3, C2H5OOH
	C3H7OOH, PROPEOOH
	PROPAOOH, PAN, MPAN
	MACR, MVK
	O3OLSB, MEK, PCHO
	ISOPNO3, APINO3
	APINPAN, PCO3PAN
	ONITU,  ONITR	
	ALKAN, ALKEN, AROM
	MACROOH, MEKOOH
	ALKANOOH, ALKENOOH
	AROMOOH, XOOH

        SO2, H2S, DMS, DMSO
        CIDUSTM, CIN
        AIBCM, AIPOMM, AIN
        CSSSM, CSSO4M
        CSMSAM, CSN 
        ASSSM, ASBCM, ASPOMM
        ASSO4M, ASMSAM 
        ASN, SSSSM, SSN

        CAIRFUEL
        MAIRFUEL
        O3L
        COLD

*     Stratospheric Version
      CH3
      HCO
        NH3, NH2, NH2O
        CINO3M, CSNO3M
        ASNH4M, ASNO3M

        APp1g, APp2g
        ARp1g, ARp2g
        ASAPp1a, ASAPp2a
        ASARp1a, ASARp2a

*     	All
     endlst

     pblayer

        O3, O, O1D, Rn222, Pb210
	MCF, O3I, O3S, H2
	H2O2, N2O, NO
	NO2,  NO3, HNO2
	HNO3, HNO4, N2O5
	CH4
	CO,CH3OOH, CH3OH
	CH2O, C2H6, C2H4
	C3H8, C3H6,C2H2
	ISOP, APIN 
	C2H5OH, CH3CHO
	CH3COOH, CH3COOOH
	CH3COCHO
	CH3COCH3, C2H5OOH
	C3H7OOH, PROPEOOH
	PROPAOOH, PAN, MPAN
	MACR, MVK
	O3OLSB, MEK, PCHO
	ISOPNO3, APINO3
	APINPAN, PCO3PAN
	ONITU,  ONITR	
	ALKAN, ALKEN, AROM
	MACROOH, MEKOOH
	ALKANOOH, ALKENOOH
	AROMOOH, XOOH

        H2, SO2, H2S, DMS, DMSO
        CIDUSTM, CIN
        AIBCM, AIPOMM, AIN
        CSSSM, CSSO4M
        CSMSAM, CSN 
        ASSSM, ASBCM, ASPOMM
        ASSO4M, ASMSAM 
        ASN, SSSSM, SSN

        CAIRFUEL
        MAIRFUEL
        O3L
        COLD

*     Stratospheric Version
      CH3
      HCO
        NH3, NH2, NH2O
        CINO3M, CSNO3M
        ASNH4M, ASNO3M

        APp1g, APp2g
        ARp1g, ARp2g
        ASAPp1a, ASAPp2a
        ASARp1a, ASARp2a

*     	All
     endlst

   ENDPAR


   SIMULATION PARAMETERS

      Spatial Dimensions
         Longitude points = XNBPOINT
         Latitude  points = 1
         Vertical  points = XLEV
         GCM long = XLON
	 GCM lat = XLAT
      Endent

      Numerical Control
         Implicit Iterations = 30
         EBI Iterations = 35
      Endent

      Surface Flux
         N2O
         CH4
         CO
         H2
         NO
         MCF
         C2H5OH
         C2H6
         C3H8
         ALKAN
         C2H4
         C3H6
         ALKEN
         C2H2
         AROM
         CH2O
         CH3CHO
         CH3COCH3
         MEK
         MVK
         CH3COOH
         ISOP
         APIN


         SO2,H2S,DMS
         ASSO4M
         NH3

      Endent


      Version Options
         machine = sx5
         work dir = $QSUB_WORKDIR/run
         subfile = lmdz.job
         multitask = off
         norms   = off
         fixer   = off
         cpus    = 1
         relhum = on
         geoheight = on
         userhook = on
         namemod = on
	 transmod = on
         tavgprnt = on
         modules = on
         netcdfdouble = on
      Endent

      Execution Options
         Qsub file = yes
      Endent

      Job Control
         Simulation length = 180d
         Simulation Time Step = 1200
         Cray Time Limit = 200h
         Cray Memory = 120
         Case = test
         Restart = true
         Crayque = reg
      Endent

      Inputs
         Start time = 2Y:01Mon:4d
         Dynamics MSS file = /STACY/ccm2/fo02/hist/h0023
         Dynhisttape = short
         Multi level fields = 15
         Single level fields = 6
         Ic MSS file = /DIDIER/ctm/mozv1std/hist/h000
      Endent

      Outputs
         Write frequency = 1d
         Start File Number = 001
         Density = 4
         Retention time = 1y

	Species
	  Inst
          Endlst
	  Avgr
          All
          Endlst
	Endent

        Group Members
	  Inst
          Endlst
          Avgr
            All
          Endlst
	Endent

	Surface Flux
	  Inst
          Endlst
          Avgr
          All
          Endlst
	Endent

       Deposition Flux
         Inst
         Endlst
         Avgr
           All
         Endlst
       Endent


	Deposition Velocity
	  Inst
          Endlst
	  Avgr
      All
	  Endlst
	Endent

	Temperature = avgr, inst
	Watervapor = avgr, inst
	Surface Pressure = avgr, inst

	Photorates
	  Inst
	  Endlst
	  Avgr
	  Endlst
	Endent

	Reaction rates
	  Inst
	  Endlst
	  Avgr
	  Endlst
	Endent

	Washout rates
	  Inst
	  Endlst
	  Avgr
	  All  
	  Endlst
	Endent

	External forcing
	  Inst
	  Endlst
	  Avgr
	    All
	  Endlst
	Endent

        Print time step = 24h


      Endent


   ENDPAR

ENDSIM
