units(length='cm', time='s', quantity='mol', act_energy='kJ/mol')

ideal_gas(name='gas',
          elements="H N Ru",
          species="""H2   NH3  N2""",
          initial_state=state(temperature=300.0, pressure=OneAtm))

ideal_interface(name='Ru_surface',
                elements="H N Ru",
                species="""Ru(s)  N(s)   H(s)""",
                site_density=2.9e-09,
                phases="gas",
          reactions='all',
                initial_state=state(temperature=300.0, pressure=OneAtm))

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

species(name='H2',
        atoms='H:2',
        thermo=(NASA([300.00, 1000.00],
                     [ 3.29812400E+00,  8.24944100E-04, -8.14301500E-07,
                      -9.47543400E-11,  4.13487200E-13, -1.01252090E+03,
                      -3.29409400E+00]),
                NASA([1000.00, 5000.00],
                     [ 2.99142300E+00,  7.00064400E-04, -5.63382800E-08,
                      -9.23157800E-12,  1.58275190E-15, -8.35034000E+02,
                      -1.35511010E+00])),
        note='121286')

species(name='NH3',
        atoms='H:3 N:1',
        thermo=(NASA([300.00, 1000.00],
                     [ 2.20435100E+00,  1.01147650E-02, -1.46526480E-05,
                       1.44723500E-08, -5.32850900E-12, -6.52548800E+03,
                       8.12713800E+00]),
                NASA([1000.00, 5000.00],
                     [ 2.46190400E+00,  6.05916600E-03, -2.00497600E-06,
                       3.13600300E-10, -1.93831700E-14, -6.49326900E+03,
                       7.47209700E+00])),
        note='121386')

species(name='N2',
        atoms='N:2',
        thermo=(NASA([300.00, 1000.00],
                     [ 3.29867700E+00,  1.40824000E-03, -3.96322200E-06,
                       5.64151500E-09, -2.44485500E-12, -1.02090000E+03,
                       3.95037200E+00]),
                NASA([1000.00, 5000.00],
                     [ 2.92664000E+00,  1.48797700E-03, -5.68476100E-07,
                       1.00970400E-10, -6.75335100E-15, -9.22797700E+02,
                       5.98052800E+00])),
        note='121286')

species(name='Ru(s)',
        atoms='Ru:1',
        thermo=(NASA([300.00, 1000.00],
                     [-0.00000000E+00,  0.00000000E+00, -0.00000000E+00,
                       0.00000000E+00,  0.00000000E+00, -0.00000000E+00,
                       0.00000000E+00]),
                NASA([1000.00, 5000.00],
                     [ 0.00000000E+00,  0.00000000E+00, -0.00000000E+00,
                       0.00000000E+00, -0.00000000E+00,  0.00000000E+00,
                       0.00000000E+00])))

species(name='N(s)',
        atoms='N:1 Ru:1',
        thermo=(NASA([300.00, 1000.00],
                     [-0.00000000E+00,  0.00000000E+00, -0.00000000E+00,
                       0.00000000E+00,  0.00000000E+00, -0.00000000E+00,
                       0.00000000E+00]),
                NASA([1000.00, 5000.00],
                     [ 0.00000000E+00,  0.00000000E+00, -0.00000000E+00,
                       0.00000000E+00, -0.00000000E+00,  0.00000000E+00,
                       0.00000000E+00])))

species(name='H(s)',
        atoms='H:1 Ru:1',
        thermo=(NASA([300.00, 1000.00],
                     [-0.00000000E+00,  0.00000000E+00, -0.00000000E+00,
                       0.00000000E+00,  0.00000000E+00, -0.00000000E+00,
                       0.00000000E+00]),
                NASA([1000.00, 5000.00],
                     [ 0.00000000E+00,  0.00000000E+00, -0.00000000E+00,
                       0.00000000E+00, -0.00000000E+00,  0.00000000E+00,
                       0.00000000E+00])))

#-------------------------------------------------------------------------------
# Reaction data
#-------------------------------------------------------------------------------
disable_motz_wise()

# Ru_surface Reaction 1
surface_reaction('N2 + Ru(s) + Ru(s) => N(s) + N(s)', stick(5.160000e-05, 0.0, 32.842))

# Ru_surface Reaction 2
surface_reaction('H2 + Ru(s) + Ru(s) => H(s) + H(s)', stick(5.625000e-03, 0.0, -0.371))

# Ru_surface Reaction 3
surface_reaction('H(s) + H(s) => Ru(s) + Ru(s) + H2',
                 Arrhenius(1.492000e+17, 0.489, 85.249,
                           coverage=[['H(s)', 0.0, 0.0, -5.0]]))