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

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
   [be7]   Be7
   [be10]   Be10
   [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

*    secondary CO2

*    anthropogenic CO2 emissions

*    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.

*     Stratospheric Version
    [sf6]  SF6
    [cfc11]  CFC11   -> CCl3F
    [cfc12]  CFC12   -> CCl2F2
    [cfc113]  CFC113  -> CF2ClCFCl2
    [hcfc22]  HCFC22  -> CHClF2
    [hfc134a]  HFC134a -> CH2FCF3
    [hcfc141]  HCFC141 -> CH3CCl2F
    [hcfc142]  HCFC142 -> CH3CClF2
    [ha1301]  Ha1301  -> CF3Br
    [ha1211]  Ha1211  -> CF2BrCl
    [ccl4]  CCl4
    [ch3cl]  CH3Cl
    [ch3br]  CH3Br
    [ch3]  CH3
    [hco]  HCO
    [oclo]  OClO
    [hcl]  HCl
    [clono2]  ClONO2
    [hocl]  HOCl
    [cl2]  Cl2
    [clno2]  ClNO2
    [hbr]  HBr
    [brono2]  BrONO2
    [cl2o2]  Cl2O2
    [hobr]  HOBr
    [brcl]  BrCl
    [cl]  Cl
    [br]  Br
    [clo]  ClO
    [bro]  BrO
    [h2o]  H2O

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

   Endlst

   Fixed
    M
    N2
    O2
    CO2
   Endlst

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


ENDPAR

SOLUTION CLASSES

   Explicit
      Rn222
      Pb210
      Be7
      Be10
      MCF

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

*     Stratospheric Version
      SF6
      CFC11
      CFC12
      CFC113
      HCFC22
      HFC134a
      HCFC141
      HCFC142
      Ha1301
      Ha1211
      CCl4
      CH3Cl
      CH3Br

      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

*     Stratospheric Version
      CH3
      HCO
      OClO
      HCl
      ClONO2
      HOCl
      Cl2
      ClNO2
      HBr
      BrONO2
      Cl2O2
      HOBr
      BrCl
      Cl
      Br
      ClO
      BrO
      H2O

   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

*     Stratospheric Version
      [jCFC11]      CFC11 + hv -> 3*Cl
      [jCFC12]      CFC12 + hv -> 2*Cl
      [jCFC113]     CFC113 + hv -> 3*Cl
      [jHCFC22]     HCFC22 + hv -> Cl
      [jHCFC141]    HCFC141 + hv -> 2*Cl
      [jHCFC142]    HCFC142 + hv -> Cl
      [jHa1301]     Ha1301 + hv -> Br
      [jHa1211]     Ha1211 + hv -> Br+Cl
      [jMCF]        MCF + hv -> 3*Cl
      [jCCl4]       CCl4 + hv -> 4*Cl
      [jCH3Cl]      CH3Cl + hv -> Cl + CH3
      [jCH3Br]      CH3Br + hv -> Br + CH3
      [jH2O]        H2O + hv -> OH + H
      [jHOCl]       HOCl +hv -> OH + Cl
      [jClONO2NO3]  ClONO2 + hv -> Cl + NO3
      [jClONO2NO2]  ClONO2 + hv -> ClO + NO2
      [jCl2O2]      Cl2O2 + hv -> Cl + OClO
      [jHCl]        HCl + hv -> Cl + H
      [jCl2]        Cl2 + hv -> 2 * Cl
      [jClNO2]      ClNO2 +hv -> Cl + NO2
      [jBrO]        BrO +hv -> Br + O
      [jBrONO2]     BrONO2 + hv -> BrO + NO2
      [jHOBr]       HOBr +hv -> OH +Br
      [jOClO]       OClO +hv -> ClO +O
      [jBrCl]       BrCl + hv -> Br + Cl
      [jCO2]        CO2  + hv -> CO +O

*     To be added in the stratosphere
*     O2 + hv -> O + O1D
*     N2O5 + hv -> NO + O + NO3
*     HNO4 + hv -> OH + NO3
*     BrONO2 + hv -> Br + NO3
*     CH4 + hv -> H + CH3
*     CH4 + hv -> 1.44*H2+0.18*CH2O+0.18*O+0.66*OH+0.44*CO2
*     H2O + hv -> H2 + O1D
*     H2O + hv -> 2H + O

      [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 ===
*   =============================================

*   === 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 ===


*   ==========================
*   === 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

      [kClONO2H2O]  ClONO2 + H2O -> HOCl + HNO3
      [kClONO2HCl]  ClONO2 + HCl -> Cl2 + HNO3
      [kN2O5H2O]    N2O5 + H2O  -> 2*HNO3
      [kN2O5HCl]    N2O5 + HCl  -> ClNO2 + HNO3
      [kHOClHCl]    HOCl + HCl -> Cl2 + H2O
      [kBrONO2H2O]  BrONO2 + H2O -> HOBr + HNO3
      [kHOBrHCl]     HOBr + HCl -> BrCl + H2O
      [kHOBrHBr]     HOBr + HBr -> Br2  + H2O
      [kHOClHBr]     HOCl + HBr -> BrCl + H2O

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



*   ================================
*   === Arrhenius-type reactions ===
*   ================================
      [kRn222] 		Rn222 -> Pb210 ; 2.100e-06

*   === 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 ===

*     Stratospheric Version
      [kSF6O1D]           SF6 + O1D -> ; 1.800e-14
      [kMCFOH]            MCF + OH -> 3*Cl + H2O ; 1.600e-12, -1520
      [kCCl4O1D]          CCl4 + O1D -> 4*Cl ; 3.300e-10
      [kCH3ClOH]          CH3Cl + OH -> Cl + H2O + HO2; 2.400e-12, -1250
      [kCH3BrOH]          CH3Br + OH -> Br + H2O + HO2; 2.350e-12, -1300
      [kCH3BrO1D]         CH3Br + O1D -> Br ; 1.800e-10
      [kCFC11O1D]         CFC11 + O1D -> 3*Cl ; 2.300e-10
      [kCFC12O1D]         CFC12 + O1D -> 2*Cl ; 1.400e-10
      [kCFC113O1D]        CFC113 + O1D -> 3*Cl ; 2.000e-10
      [kHCFC22OH]         HCFC22 + OH -> Cl ; 1.050e-12, -1600
      [kHCFC22O1D]        HCFC22 + O1D -> Cl + H2O; 1.000e-10
      [kHCFC141OH]        HCFC141 + OH -> 2*Cl ; 1.250e-12, -1600
      [kHCFC141O1D]       HCFC141 + O1D -> 2*Cl ; 2.600e-10
      [kHCFC142OH]        HCFC142 + OH -> Cl ; 1.300e-12, -1770
      [kHCFC142O1D]       HCFC142 + O1D -> Cl ; 2.200e-10
      [kHFC134aOH]        HFC134a + OH -> H2O ; 1.050e-12, -1630
      [kHFC134aO1D]       HFC134a + O1D -> H2O ; 4.900e-11
      [kHa1301O1D]        Ha1301 + O1D -> Br ; 1.000e-10
      [kHa1211O1D]        Ha1211 + O1D -> Br + Cl ; 1.500e-10
      [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
      [kCH3O2M]           CH3 + O2 + M -> CH3O2 + M
      [kClO3]             Cl + O3 -> ClO + O2 ; 2.3e-11, -200
      [kClH2]             Cl + H2 -> HCl + H ; 3.05e-11, -2270
      [kClH2O2]           Cl + H2O2 -> HCl + HO2 ; 1.10e-11, -980
      [kClHO2HCl]         Cl + HO2 -> HCl + O2 ; 1.4e-11, 270
      [kClHO2ClO]         Cl + HO2 -> ClO + OH ; 3.6e-11, -375
      [kClCH2O]           Cl + CH2O -> HCO + HCl ; 8.1e-11, -30
      [kClCH4]            Cl + CH4 -> HCl + CH3 ; 7.3e-12, -1280
      [kClOO]             ClO + O -> Cl + O2 ; 2.8e-11, 85
      [kClOOHCl]          ClO + OH -> Cl + HO2 ; 7.4e-12, 270
      [kClOOHHCl]         ClO + OH -> HCl + O2 ; 6.0e-13, 230
      [kClOHO2]           ClO + HO2 -> HOCl + O2 ; 2.6e-12, 290
      [kClONO]            ClO + NO -> NO2 + Cl ; 6.4e-12, 290
      [kClOCH3O2]         ClO  + CH3O2 -> CH3O + Cl + O2 ; 3.3e-12, -115
      [kClOClOCl2]        ClO + ClO -> Cl2 + O2 ; 1.e-12, -1590
      [kOHHCl]            OH + HCl -> Cl + H2O ; 1.8e-12, -250
      [kOHOCl]            O + HOCl -> OH + ClO ; 1.7e-13
      [kClHOCl]           Cl + HOCl -> ClO + HCl ; 3.4e-12, -130
      [kOHHOCl]           OH + HOCl -> H2O + ClO ; 3.0e-12, -500
      [kOClONO2]          O + ClONO2 -> ClO + NO3 ; 3.6e-12, -840
      [kClOClOCl]         ClO + ClO -> 2*Cl + O2 ; 3.e-11, -2450
      [kClOClOOClO]       ClO + ClO -> Cl + OClO ; 3.5e-13, -1370
      [kHClO]             HCl + O -> Cl + OH ; 1.e-11, -3300
      [kClClONO2]         Cl + ClONO2 -> Cl2 + NO3 ; 6.5e-12, 135
      [kOHClONO2]         OH + ClONO2 -> HOCl + NO3 ; 1.2e-12, -330
      [kClNO2M]           Cl + NO2 + M -> ClNO2 + M
      [kClOClOM]          ClO + ClO + M -> Cl2O2 + M
      [kClONO2M]          ClO + NO2 + M -> ClONO2 + M
      [kCl2O2M]           Cl2O2 + M -> 2 * ClO + M
      [kBrO3]             Br + O3 -> BrO + O2 ; 1.6e-11, -780
      [kBrHO2]            Br + HO2 -> HBr + O2 ; 4.8e-12, -310
      [kBrOO]             BrO + O -> Br + O2 ; 1.9e-11, 230
      [kBrOOH]            BrO + OH -> Br + HO2 ; 1.7e-11, 250
      [kBrOHO2]           BrO + HO2 -> HOBr + O2 ; 4.5e-12, 460
      [kBrONO]            BrO + NO -> NO2 + Br ; 8.8e-12, 260
      [kBrOClOOClO]       BrO + ClO -> OClO + Br ; 9.5e-13, 550
      [kBrOClOCl]         BrO + ClO -> Br + Cl + O2 ; 2.3e-12, 260
      [kBrOClOBrCl]       BrO + ClO -> BrCl + O2 ; 4.1e-13, 290
      [kBrOBrO]           BrO + BrO -> 2*Br + O2 ; 1.5e-12, 230
      [kOHHBr]            OH + HBr -> Br + H2O ; 5.5e-12, 200
      [kHOBrO]            HOBr + O -> OH + BrO ; 1.2e-10, -430
      [kHBrO]             HBr + O -> Br + OH ; 5.8e-12, -1500
      [kBrONO2O]          BrONO2 + O -> BrO + NO3 ; 1.9e-11, 215
      [kBrONO2M]          BrO + NO2 + M -> BrONO2 + M
      [kCH2OBr]           CH2O + Br -> HCO + HBr ; 1.7e-11, -800

*   ====================
*   === 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

* Stratospheric Version
      HCl,ClONO2,HOCl,ClNO2,BrONO2,HOBr,BrCl

      SO2
      H2S
      DMS
      DMSO
      NH3
      ASSO4M
      ASNH4M
      ASNO3M
      CSNO3M
      CINO3M

      APp1g
      APp2g
      ARp1g
      ARp2g

      Pb210
   Endent

   Ext Forcing
      NO 
      O3L 
      COLD 
      H2O
      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
      OClO
      HCl
      ClONO2
      HOCl
      Cl2
      ClNO2
      HBr
      BrONO2
      Cl2O2
      HOBr
      BrCl
      Cl
      Br
      ClO
      BrO
      H2O
      SF6
      CFC11
      CFC12
      CFC113
      HCFC22
      HFC134a
      HCFC141
      HCFC142
      Ha1301
      Ha1211
      CCl4
      CH3Cl
      CH3Br

        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
      OClO
      HCl
      ClONO2
      HOCl
      Cl2
      ClNO2
      HBr
      BrONO2
      Cl2O2
      HOBr
      BrCl
      Cl
      Br
      ClO
      BrO
      H2O
      SF6
      CFC11
      CFC12
      CFC113
      HCFC22
      HFC134a
      HCFC141
      HCFC142
      Ha1301
      Ha1211
      CCl4
      CH3Cl
      CH3Br

        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
      OClO
      HCl
      ClONO2
      HOCl
      Cl2
      ClNO2
      HBr
      BrONO2
      Cl2O2
      HOBr
      BrCl
      Cl
      Br
      ClO
      BrO
*      H2O stratospheric species
      SF6
      CFC11
      CFC12
      CFC113
      HCFC22
      HFC134a
      HCFC141
      HCFC142
      Ha1301
      Ha1211
      CCl4
      CH3Cl
      CH3Br

        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
      OClO
      HCl
      ClONO2
      HOCl
      Cl2
      ClNO2
      HBr
      BrONO2
      Cl2O2
      HOBr
      BrCl
      Cl
      Br
      ClO
      BrO
*      H2O stratospheric species
      SF6
      CFC11
      CFC12
      CFC113
      HCFC22
      HFC134a
      HCFC141
      HCFC142
      Ha1301
      Ha1211
      CCl4
      CH3Cl
      CH3Br

        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
        O3,Pb210
      All
	  Endlst
	Endent

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

	Photorates
	  Inst
	  Endlst
	  Avgr
        All
	  Endlst
	Endent

	Reaction rates
	  Inst
	  Endlst
	  Avgr
        53,54,55,56,57,58,59,60,61,62,63,64,65
	  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
