This is an example of the minimum input required to fit data evaluated from an existing Ansys Chemkin -format polynomial; defaults SPEC=OH, ELEM, PHAS=G , TMIN=300, TMAX=5000, and TEMP=1000 are obtained from the polynomial, and H298 by an evaluation of the polynomial, but keywords may be used to supersede these values. This option might be used to generate fits for a different temperature range where the original data are no longer available.

POLY CHEM
OH                121286O   1H   1          G  0300.00   5000.00  1000.00      1
 0.02882730E+02 0.10139743E-02-0.02276877E-05 0.02174683E-09-0.05126305E-14    2
 0.03886888E+05 0.05595712E+02 0.03637266E+02 0.01850910E-02-0.16761646E-05    3
 0.02387202E-07-0.08431442E-11 0.03606781E+05 0.13588605E+01
END

FITDAT evaluates the Ansys Chemkin polynomial as described in Running FITDAT from the User Interface , to obtain thermodynamic properties for fitting. A table of NPTS temperatures from TMIN to TMAX will be used to evaluate the properties; keywords NPTS or DELT may be used to modify this phase.