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thermNASA reference manual - thermList / thermLi97
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thermNASA reference manual - thermList / thermLi97

Synopsis

thermList input.ext [-new/-old]
thermLi97 input.ext [-new/-old]

Description

  The programs thermList or thermLi97 lists thermodynamic functions of all species contained in the input file into THERM list format (.lst) or PAC99 input format (.i97).   The THERM list format (.lst) is concise one-line text format for each species and will be useful to investigate or check the thermodynamic properties of a list of species.   The thermLi97 program may be used to retro-convert 9-coefficients data to 7-coefficients format by using PAC99.

Input

Format: The input file should be fully formatted thermodynamic data, that is, it should contain header lines (beginning with 'THERMO') and a footer line (beginning with 'END').   See the sample thermodata files (dataCK.dat and dataCEA2.inp for 7-coefficients and 9-coefficients formats) and the document for details.
File name: The file name for the thermodynamic data should be full file name including the extension, which is typically .dat (for 7-coefficients) or .inp (for 9-coefficients).
Options: The command-line options -new and -old specifies whether the thermodata format is old conventional or new.   The default format is conventional 7-coefficient data (used by Chemkin) and program accept this 7-coefficient input even without -old option on the command line while it is necessary to specify the option -new to read 9-coefficients data.

Output

Output of thermList (*.lst)
  Output is generated in a file input.lst, that is, for the sample input dataCK.dat, the output file name is dataCK.lst and dataCEA2.lst for dataCEA2.inp.   For dataCEA2.inp, the contents of the output file dataCEA2.lst look like:
  UNITS:KJ
 Thermodata generated by thermNASA
 SPECIES       Hf       S    Cp 300     400     500     600     800     1000     1500     DATE        ELEMENTS
 C2H5        118.66   247.12    50.67   61.34   71.61   80.77   95.90  107.72  126.73         tnasa    C   2 H   5     0     0 G 0
 H           218.00   114.72    20.79   20.79   20.79   20.79   20.79   20.79   20.79         tnasa    H   1     0     0     0 G 0
 O           249.17   161.06    21.90   21.48   21.26   21.12   20.98   20.92   20.85         tnasa    O   1     0     0     0 G 0
 O2           -0.00   205.15    29.39   30.11   31.09   32.09   33.74   34.88   36.55         tnasa    O   2     0     0     0 G 0
 OH           37.28   183.74    29.88   29.60   29.49   29.51   29.91   30.68   32.96         tnasa    H   1 O   1     0     0 G 0
The Hf and S are ΔHf° and Sm° at the reference temperature 298.15 K and standard pressure of 1 bar (≡ 105 Pa).   Cp is Cp°m and is listed for temperatures 300 to 1500 K.   The units are kJ mol−1 for ΔHf° and J K−1 mol−1 for Sm° and Cp°m.   For more detail on the format of THERM list file, see THERM program.
Output of thermLi97 (*.i97)
  Output is generated in a file input.i97, that is, for the sample input dataCK.dat, the output file name is dataCK.i97 and dataCEA2.i97 for dataCEA2.inp.   The contents of dataCEA2.i97 are shown below.   For details on the format of .i97 file, see the manual of PAC99. 
NAME  C2H5
C2H5                    HF298     118657.6JOULES
DATE  thLi97
LSTS  OLD
OUTP  MFIG              LSQS              ATM
METH  READIN            KJOULE            BAR
      T          200.000CP/R        5.0415H-H2RT  -0.0027093S/R        27.5307
      T          298.150CP/R        6.0717H-H2RT   0.0000000S/R        29.7213
      T          300.000CP/R        6.0946H-H2RT   0.0000375S/R        29.7590
      T          400.000CP/R        7.3775H-H2RT   0.0017112S/R        31.6869
      T          500.000CP/R        8.6122H-H2RT   0.0029698S/R        33.4679
      T          600.000CP/R        9.7142H-H2RT   0.0040040S/R        35.1376
      T          700.000CP/R       10.6813H-H2RT   0.0048903S/R        36.7093
      T          800.000CP/R       11.5345H-H2RT   0.0056686S/R        38.1924
      T          900.000CP/R       12.2917H-H2RT   0.0063633S/R        39.5956
      T         1000.000CP/R       12.9561H-H2RT   0.0069902S/R        40.9259
      T         1100.000CP/R       13.5409H-H2RT   0.0075597S/R        42.1888
      T         1200.000CP/R       14.0548H-H2RT   0.0080800S/R        43.3895
      T         1300.000CP/R       14.5047H-H2RT   0.0085573S/R        44.5326
      T         1400.000CP/R       14.8981H-H2RT   0.0089964S/R        45.6223
      T         1500.000CP/R       15.2426H-H2RT   0.0094016S/R        46.6622
      T         1600.000CP/R       15.5447H-H2RT   0.0097763S/R        47.6557
      T         1800.000CP/R       16.0446H-H2RT   0.0104462S/R        49.5167
      T         2000.000CP/R       16.4355H-H2RT   0.0110264S/R        51.2283
      T         2200.000CP/R       16.7447H-H2RT   0.0115327S/R        52.8098
      T         2400.000CP/R       16.9922H-H2RT   0.0119777S/R        54.2778
      T         2600.000CP/R       17.1926H-H2RT   0.0123714S/R        55.6461
      T         2800.000CP/R       17.3566H-H2RT   0.0127218S/R        56.9264
      T         3000.000CP/R       17.4923H-H2RT   0.0130355S/R        58.1286
      T         3300.000CP/R       17.6555H-H2RT   0.0134484S/R        59.8038
      T         3600.000CP/R       17.7828H-H2RT   0.0138045S/R        61.3457
      T         3900.000CP/R       17.8839H-H2RT   0.0141146S/R        62.7733
      T         4200.000CP/R       17.9654H-H2RT   0.0143868S/R        64.1017
      T         4600.000CP/R       18.0514H-H2RT   0.0147019S/R        65.7401
      T         5000.000CP/R       18.1182H-H2RT   0.0149726S/R        67.2481
FINISH
NAME  H
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