#
#
#
#
units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol")


ideal_gas(name = "sample",
      elements = " O  H  Al  Cl  E  Ar ",
      species = """ ALCL3  e-  AR """,
      reactions = "all",
      initial_state = state(temperature = 300.0,
                        pressure = OneAtm)    )



#-------------------------------------------------------------------------------
#  Species data 
#-------------------------------------------------------------------------------

species(name = "ALCL3",
    atoms = " Al:1  Cl:3 ",
    thermo = (
       NASA9( [  200.00,  1000.00], [  7.750600970E+04,  -1.440779717E+03,   1.401744141E+01,
               -6.381631240E-03,   5.871674720E-06,  -2.908872278E-09,
                5.994050890E-13,  -6.579343180E+04,  -4.494017799E+01] ),
       NASA9( [ 1000.00,  6000.00], [ -1.378630916E+05,  -5.579207290E+01,   1.004190387E+01,
               -1.682165339E-05,   3.724664660E-09,  -4.275526780E-13,
                1.982341329E-17,  -7.343407470E+04,  -2.045130429E+01] )
             ),
    note = " Gurvich,1996a pt1 p173 pt2 p134."
       )

species(name = "e-",
    atoms = " E:1 ",
    thermo = (
       NASA9( [  298.15,  1000.00], [  0.000000000E+00,   0.000000000E+00,   2.500000000E+00,
                0.000000000E+00,   0.000000000E+00,   0.000000000E+00,
                0.000000000E+00,  -7.453750000E+02,  -1.172081224E+01] ),
       NASA9( [ 1000.00,  6000.00], [  0.000000000E+00,   0.000000000E+00,   2.500000000E+00,
                0.000000000E+00,   0.000000000E+00,   0.000000000E+00,
                0.000000000E+00,  -7.453750000E+02,  -1.172081224E+01] ),
       NASA9( [ 6000.00, 20000.00], [  0.000000000E+00,   0.000000000E+00,   2.500000000E+00,
                0.000000000E+00,   0.000000000E+00,   0.000000000E+00,
                0.000000000E+00,  -7.453750000E+02,  -1.172081224E+01] )
             ),
    note = " Ref-Species. Chase, 1998 3/82.                                "
       )

species(name = "AR",
    atoms = " Ar:1 ",
    thermo = (
       NASA9( [  200.00,  1000.00], [  0.000000000E+00,   0.000000000E+00,   2.500000000E+00,
                0.000000000E+00,   0.000000000E+00,   0.000000000E+00,
                0.000000000E+00,  -7.453750000E+02,   4.379674910E+00] ),
       NASA9( [ 1000.00,  6000.00], [  2.010538475E+01,  -5.992661070E-02,   2.500069401E+00,
               -3.992141160E-08,   1.205272140E-11,  -1.819015576E-15,
                1.078576636E-19,  -7.449939610E+02,   4.379180110E+00] ),
       NASA9( [ 6000.00, 20000.00], [ -9.951265080E+08,   6.458887260E+05,  -1.675894697E+02,
                2.319933363E-02,  -1.721080911E-06,   6.531938460E-11,
               -9.740147729E-16,  -5.078300340E+06,   1.465298484E+03] )
             ),
    note = " Ref-Elm. Moore,1971. Gordon,1999..                                "
       )



#-------------------------------------------------------------------------------
#  Reaction data 
#-------------------------------------------------------------------------------