7.7.7. DATA JANAF Input Format

This is an example of the minimum input required to fit JANAF-format data, which is at least five columns consisting of temperature (K), and species properties C p (J/mole-K), (J/mole-K), (J/mole-K), and H (T) - H (298) (kJ/mole). Defaults SPEC=OH, PHAS=G , and ELEM are obtained from the CODE line, TMIN=300, TMAX=6000 are the first and last positive data points greater than 298, and H (298) (kJ/mole) is the column 6 value at T=298.15, but keywords may be used to supersede the defaults.

Figure 7.9: DATA JANAF Input File

DATA JANAF
 
!     Janaf table documentation:
!     Col 2-10:  Temperature (K)
!     Col 11-19: Heat Capacity, Cp (J/K-mole)
!     Col 20-29: Entropy, S (J/K-mole)
!     Col 30-39: Gibbs Free Energy, G (J/K-mole)
!     Col 40-51: Relative Enthalpy, H-H298 (kJ/mole)
!     Col 52-62: Enthalpy of Formation, Hf (kJ/mole)
!     Col 63-74: Gibbs Energy of Formation, Gf (kJ/mole)
!     Col 75-85: log (Equilibrium constant of formation), log(Keq(T))
!     Note: some of the above are in KJ and some in J.CODE =  300  H1O1(g)
                                                              
CODE =  300  H1O1(g)                                                              
                                                                                  
!Hydroxyl (OH)                                                              H O (g)
!                                                                            1 1   
     0     0.        0.     INFINITE      -9.172     38.390      38.390   INFINITE
    25    29.487   106.145   447.063      -8.523     38.411      38.109    -79.625
    50    31.487   127.111   282.386      -7.764     38.391      37.805    -39.494
    75    32.719   140.171   232.937      -6.957     38.390      37.516
     :
     :
  5900    39.350   282.564   248.604     200.369     27.391     -39.860      0.353
  6000    39.423   283.226   249.175     204.308     27.019     -40.997      0.357
                                                                                  
!PREVIOUS: June 1977 (1 atm)                             CURRENT: June 1977 (1 bar)
END