chem/KPP/kpp/kpp-2.1/util/UserRateLaws.c

   1 /*  User-defined Rate Law functions
   2     Note: the default argument type for rate laws, as read from the equations file, is single precision
   3          but all the internal calculations are performed in double precision
   4 */
   5 /* Arrhenius */
   6 KPP_REAL  ARR( float A0, float B0, float C0 )
   7       {
   8       double ARR_RES;
   9
  10       ARR_RES = (double)A0 * exp( -(double)B0/TEMP )
  11                 * pow( (TEMP/300.0), (double)C0 );
  12
  13       return (KPP_REAL)ARR_RES;
  14       }
  15
  16
  17 /* Simplified Arrhenius, with two arguments */
  18 /* Note that the argument B0 has a changed sign when compared to ARR */
  19 KPP_REAL  ARR2(  float A0, float B0 )
  20       {
  21       double ARR_RES;
  22
  23       ARR_RES =  (double)A0 * exp( (double)B0/TEMP );
  24
  25       return (KPP_REAL)ARR_RES;
  26       }
  27
  28
  29 KPP_REAL  EP2( float A0, float C0, float A2, float C2, float A3, float C3)
  30       {
  31       double K0, K2, K3, EP2_RES;
  32
  33       K0 = (double)A0 * exp( -(double)C0/TEMP );
  34       K2 = (double)A2 * exp( -(double)C2/TEMP );
  35       K3 = (double)A3 * exp( -(double)C3/TEMP );
  36       K3 = K3*CFACTOR*1.0e+6;
  37       EP2_RES = K0 + K3/( 1.0+K3/K2 );
  38
  39       return (KPP_REAL)EP2_RES;
  40       }
  41
  42
  43 KPP_REAL  EP3( float A1, float C1, float A2, float C2)
  44       {
  45       double K1, K2, EP3_RES;
  46
  47       K1 = (double)A1 * exp(-(double)C1/TEMP);
  48       K2 = (double)A2 * exp(-(double)C2/TEMP);
  49       EP3_RES = K1 + K2*(1.0e+6*CFACTOR);
  50
  51       return (KPP_REAL)EP3_RES;
  52       }
  53
  54
  55 KPP_REAL  FALL (  float A0, float B0, float C0, float A1, float B1, float C1, float CF)
  56       {
  57       double K0, K1, FALL_RES;
  58
  59       K0 = (double)A0 * exp(-(double)B0/TEMP)* pow( (TEMP/300.0), (double)C0 );
  60       K1 = (double)A1 * exp(-(double)B1/TEMP)* pow( (TEMP/300.0), (double)C1 );
  61       K0 = K0*CFACTOR*1.0e+6;
  62       K1 = K0/K1;
  63       FALL_RES = (K0/(1.0+K1))*
  64            pow( (double)CF, ( 1.0/( 1.0+pow( (log10(K1)),2 ) ) ) );
  65
  66       return (KPP_REAL)FALL_RES;
  67       }