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

   1 #include atoms
   2
   3 #DEFVAR
   4     NO          = N + O;
   5     NO2         = N + 2O;
   6     HNO3        = H + N + 3O;
   7     NH3         = N + 3H;
   8     SO2         = S + 2O;
   9     SO4         = S + 4O;
  10     O3          = 3O;
  11     CH4         = C + 4H;
  12     C2H6        = 2C + 6H;
  13     C3H8        = 3C + 8H;
  14     ALKA        =                       IGNORE;
  15     ETHE        =                       IGNORE;
  16     ALKE        =                       IGNORE;
  17     AROM        =                       IGNORE;
  18     ACO2        = 2H + C + 2O;                  { HCOOH }
  19     ACTA        = 2C + 4H + 2O;                 { CH3COOH }
  20     HCHO        = 2H + C + O;
  21     ALD2        =                       IGNORE;
  22     H2O2        = 2H + 2O;
  23     ROOH        =                       IGNORE;
  24     HONO        = H + 2O + N;
  25     PAN         = 2C + 3H + 5O + N;             { CH3CO3NO2 }
  26     TPAN        = 4C + 3H + 6O + N;             { CHOCH=CHCO3NO2 }
  27     KET         =                       IGNORE;
  28     CRES        =                       IGNORE;
  29     DIAL        =                       IGNORE;
  30     GLYX        = 2C + 2H + 2O;                 { CHOCHO }
  31     MGLY        = 3C + 4H + 2O;                 { CH3COCHO }
  32     NH4NO3      = 2N + 4H + 3O;                 { or AMNT }
  33     HCL         = H + Cl;
  34     R3N2        = N + IGNORE;
  35     RAN1        = N + IGNORE;
  36     RAN2        = N + IGNORE;
  37     N2O5        = 2N + 5O;
  38     HNO4        = H + N + 4O;
  39     NO3         = N + 3O;
  40     ISOP        =                       IGNORE;
  41     MVK         =                       IGNORE;
  42     MACR        =                       IGNORE;
  43     HAC         =                       IGNORE;
  44     MGGY        =                       IGNORE;
  45     MPAN        = N + IGNORE;
  46     IPAN        = N + IGNORE;
  47     INO2        = N + IGNORE;
  48     MAN2        = N + IGNORE;
  49     MVN2        = N + IGNORE;
  50     MACA        =                       IGNORE;
  51     PYVA        =                       IGNORE;
  52     DOL6        =                       IGNORE;
  53     DOL7        =                       IGNORE;
  54     DOL8        =                       IGNORE;
  55     CPET        =                       IGNORE;
  56     CHEX        =                       IGNORE;
  57     SUCA        =                       IGNORE;
  58     GLUA        =                       IGNORE;
  59     ADIA        =                       IGNORE;
  60     PRN2        = 2N + IGNORE;
  61     PRPN        = N + IGNORE;
  62     OZID        =                       IGNORE;
  63     DMS         = 2C + 6H + S;                  { CH3-S-CH3 }
  64     MSA         = S + IGNORE;
  65     CO          = C + O;
  66
  67 #DEFRAD
  68     OH          = O + H;
  69     HO2         = H + 2O;
  70     AHO2        = 3H + 3O + C;                  { HOCH2O2 }
  71     MCO3        = 2C + 3H + 3O;                 { CH3CO2 }
  72     MO2         = C + 3H + 2O;                  { CH3O2 }
  73     ETO2        = 2C + 5H + 2O;                 { C2H5O2 }
  74     KO2         =                       IGNORE;
  75     R3O2        =                       IGNORE;
  76     RAO2        =                       IGNORE;
  77     TO2         =                       IGNORE;
  78     TCO3        = 4C + 3H + 4O;                 { CHOCH=CHCO3 }
  79     ZO2         =                       IGNORE;
  80     EO2         =                       IGNORE;
  81     PO2         =                       IGNORE;
  82     CHO2        = C + 2H + 2O;                  { CH2O2 }
  83     CRO2        = 2C + 4H + 2O;                 { CH3CHO2 }
  84     PRN1        = N + IGNORE;
  85     RIO2        =                       IGNORE;
  86     VRO2        =                       IGNORE;
  87     MAO3        =                       IGNORE;
  88     MRO2        =                       IGNORE;
  89     HACO        =                       IGNORE;
  90     MAOO        =                       IGNORE;
  91     MCRG        =                       IGNORE;
  92     MVKO        =                       IGNORE;
  93
  94 #DEFFIX
  95     O2          = 2O;
  96     H2O         = H + 2O;
  97     CO2         = C + 2O;
  98     H2          = 2H;
  99