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thermNASA - Quick Start step-1
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thermNASA - Quick Start step-1

  Followings are examples of the usage of thermNASA tools for listing thermodynamic functions in convensional formats.

Preparation

  1. Build thermNASA from source files or unpack pre-built binaries for Windows according to the instructions in Installation section.
  2. Set PATH to the directory where thermNASA executables reside.   Then, change directory to the thermNASA/sample.
  3. Alternatively, if you found any difficulty in setting PATH, copy all thermNASA executables (in thermNASA-win32-binary) and all sample files (in thermNASA/sample) to the current directory.

List thermodynamic data in THERM list format

  1. Execute thermList for dataCK.dat by typing:
    thermList dataCK.dat
  2. A file dataCK.lst must have been created in the current directory, and its contents should be like:
      UNITS:KJ
     Thermodata generated by thermNASA
     SPECIES       Hf       S    Cp 300     400     500     600     800     1000     1500     DATE        ELEMENTS
     Ar            0.00   154.85    20.79   20.79   20.79   20.79   20.79   20.79   20.79         tnasa    AR  1     0     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
     H2           -0.00   130.68    28.85   29.28   29.30   29.25   29.62   30.16   32.36         tnasa    H   2     0     0     0 G 0
     H2O        -241.82   188.83    33.60   34.27   35.21   36.32   38.73   41.29   47.33         tnasa    H   2 O   1     0     0 G 0
     H2O2       -135.89   234.53    42.46   46.36   50.14   53.48   58.50   62.48   69.37         tnasa    H   2 O   2     0     0 G 0
     HO2          13.81   229.10    34.93   37.18   39.60   41.82   45.07   47.62   52.23         tnasa    H   1 O   2     0     0 G 0
     N2           -0.00   191.61    29.13   29.27   29.60   30.09   31.43   32.68   34.77         tnasa    N   2     0     0     0 G 0
     O           249.17   161.06    21.90   21.46   21.25   21.14   20.99   20.92   20.85         tnasa    O   1     0     0     0 G 0
     O2            0.00   205.15    29.39   30.12   31.08   32.08   33.75   34.88   36.51         tnasa    O   2     0     0     0 G 0
     OH           37.20   183.74    29.88   29.57   29.48   29.53   29.92   30.69   32.99         tnasa    H   1 O   1     0     0 G 0
  3. This is probably the simplest way to check the basic thermodynamic properties such as heats of formation for a number of species.

List thermodynamic data in PAC99 input format

  1. Execute thermLi97 for dataCK.dat by typing:
    therLi97 dataCK.dat
  2. A file dataCK.i97 must have been created in the current directory, and its contents should be like:
    NAME  Ar
    AR1                     HF298          0.0JOULES
    DATE  thLi97
    LSTS  OLD
    OUTP  MFIG              LSQS              ATM
    METH  READIN            KJOULE            BAR
          T          200.000CP/R        2.5000H-H2RT  -0.0012269S/R        17.6255
          T          298.150CP/R        2.5000H-H2RT   0.0000000S/R        18.6237
          T          300.000CP/R        2.5000H-H2RT   0.0000154S/R        18.6391
          T          400.000CP/R        2.5000H-H2RT   0.0006366S/R        19.3583
          T          500.000CP/R        2.5000H-H2RT   0.0010092S/R        19.9162
          T          600.000CP/R        2.5000H-H2RT   0.0012577S/R        20.3720
          T          700.000CP/R        2.5000H-H2RT   0.0014352S/R        20.7574
          T          800.000CP/R        2.5000H-H2RT   0.0015683S/R        21.0912
      :
      :
          T         4200.000CP/R        2.5000H-H2RT   0.0023225S/R        25.2368
          T         4600.000CP/R        2.5000H-H2RT   0.0023380S/R        25.4642
          T         5000.000CP/R        2.5000H-H2RT   0.0023509S/R        25.6727
    FINISH
      :
      :

Using new 9-coefficients thermodynamic data

  1. New 9-coefficients data can be used similarly, but by explicitly specifying the '-new' option.
    thermList dataCEA2.inp -new
    thermLi97 dataCEA2.inp -new

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