CKFAL CKFAL CKFAL CKFAL CKFAL CKFAL CKFAL
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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