chem/KPP/kpp/kpp-2.1/test/smog.spc

   1 #include atoms
   2
   3  #DEFVAR
   4     O           = O ;           {oxygen atomic ground state (3P)}
   5     O3          = 3O ;          {ozone}
   6     NO          = N + O ;       {nitric oxide}
   7     NO2         = N + 2O ;      {nitrogen dioxide}
   8     NO3         = N + 3O ;      {nitrogen trioxide}
   9     N2O5        = 2N + 5O ;     {dinitrogen pentoxide}
  10     HNO3        = H + N + 3O ;  { nitric acid }
  11     HNO4        = H + N + 4O ;  {HO2NO2 pernitric acid}
  12     H           = H ;           {hydrogen atomic ground state (2S)}
  13     OH          = O + H ;       {hydroxyl radical}
  14     HO2         = H + 2O ;      {perhydroxyl radical}
  15     H2O2        = 2H + 2O ;     {hydrogen peroxide}
  16     CH3         = C + 3H ;      {methyl radical}
  17     CH3O        = C + 3H + O ;  {methoxy radical}
  18     CH3O2       = C + 3H + 2O ; {methylperoxy radical}
  19     CH3OOH      = C + 4H + 2O ; {CH4O2      methylperoxy alcohol}
  20     HCO         = H + C + O ;   {CHO  formyl radical}
  21     CH2O        = C + 2H + O ;  {formalydehyde}
  22
  23     RH          = ignore ;
  24     RO2         = ignore ;
  25     RCHO        = ignore ;
  26     RCOO2       = ignore ;
  27     RCOO2NO2    = ignore ;
  28
  29 #DEFFIX
  30     H2O         = H + 2O ;      {water}
  31     H2          = 2H ;          {molecular hydrogen}
  32     O2          = 2O ;          {molecular oxygen}
  33     N2          = 2N ;          {molecular nitrogen}
  34     CH4         = C + 4H ;      {methane}
  35     CO          = C + O ;       {carbon monoxide}
  36     CO2         = C + 2O ;      {carbon dioxide}
  37