CKFAL CKFAL CKFAL CKFAL CKFAL CKFAL CKFAL ********************************************** ************************** ****** SUBROUTINE CKFAL (NDIM, ICKWRK, RCKWRK, IFOP, IFLO, KFAL, FPAR) Returns a set of flags indicating whether a reaction has pressure- dependent behavior and an array of parameters. INPUT NDIM - Integer scalar, first dimension of the matrix FPAR; NDIM must be greater than or equal to NFAR, the maximum number of supplemental rate parameters, which depends on the mechanism. ICKWRK(*) - Integer workspace array; dimension at least LENICK. RCKWRK(*) - Real workspace array; dimension at least LENRCK. OUTPUT IFOP(*) - Integer array, flags indicating pressure-dependent behavior; dimension at least II, the total reaction count. IFOP(I) indicates the pressure-dependent behavior of reaction I: 0 - No pressure dependency 1 - Lindeman form (3 parameters) 2 - SRI form (8 parameters) 3 - Troe form (6 parameters) 4 - Troe form (7 parameters) 6 - Chebychev form (depends on mechanixm) IFLO(*) - Integer array, flags indicating pressure-dependency; dimension at least II, the total reaction count. IFLO(I) indicates 0 - unimolecular pressure-dependency, 1 - chemically activated bi-molecular. KFAL(*) - Integer array, flags indicating type of bath-gas concentration to be used in expressions (see footnote on page 27); dimension at least II, the total reaction count. KFAL(I) indicates the type of reaction I: 0 - Use total concentration of gas mixture (with the added capability of using enhanced third body coefficients) (default) K - Use the concentration of species K FPAR(*,*) - Real matrix, pressure dependency parameters; dimension at least NFAR for the first, the maximum number of parameters (currently 8), and at least II for the second, the total reaction count. The number of parameters depends on the particular functional form indicated by the IFOP array: For IFOP(I) = 1 through 4, FPAR(1,I), FPAR(2,I), FPAR(3,I) are always the parameters entered on the LOW auxiliary keyword line in the CHEMKIN interpreter input file. FPAR(1,I) = Pre-exponential for low pressure limiting rate constant cgs units, mole-cm-sec-K FPAR(2,I) = Temperature dependence exponents for the low pressure limiting rate constants. FPAR(3,I) = Activation energy for the low pressure limiting rate constant. cgs units, K Additional FPAR values depend on IFOP: IFOP(I) = 2: FPAR(4,I) = a FPAR(5,I) = b (Kelvin) FPAR(6,I) = c (Kelvin) FPAR(7,I) = d FPAR(8,I) = e IFOP(I) = 3: FPAR(4,I) = a FPAR(5,I) = T*** (Kelvin) FPAR(6,I) = T* (Kelvin) IFOP(I) = 4: FPAR(4,I) = a FPAR(5,I) = T*** (Kelvin) FPAR(6,I) = T* (Kelvin) FPAR(7,I) = T** (Kelvin) For IFOP(I) = 6: FPAR(1,I) = n, the number of temperature coeff. FPAR(2,I) = m, the number of pressure coeff. FPAR(3,I) = tmin, lower temperature limit FPAR(4,I) = tmax, upper temperature limit FPAR(5,I) = pmin, lower pressure limit FPAR(6,I) = pmax, upper temperature limit FPAR(j,I), j=7,m*n+6 are the polynomial coefficients