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