Species definitions
===================


Enabling the species mass fraction solver and specifying species model options.

+----------------------+-------------------------------------------------------------------------+----------+-----------+
|                      | Description                                                             |   Type   | Default   |
+======================+=========================================================================+==========+===========+
| species.solve        | Specified name of the species or None to disable the species solver.    | String   |  None     |
|                      | The name assigned to the species solver is used to specify species      |          |           |
|                      | inputs.                                                                 |          |           |
+----------------------+-------------------------------------------------------------------------+----------+-----------+


The following inputs must be preceded by the "species." prefix

+-------------------------------------------+-------------------------------------------------------+----------+-----------+
|                                           | Description                                           |   Type   | Default   |
+===========================================+=======================================================+==========+===========+
| [specie0].molecular_weight                | Value of species molecular weight. [required if       |  Real    |  0        |
|                                           | fluid.molecular_weight='mixture'].                    |          |           |
+-------------------------------------------+-------------------------------------------------------+----------+-----------+
| diffusivity                               | Specify which diffusivity model to use for species    | String   |  None     |
|                                           | [required].                                           |          |           |
|                                           | Available options include:                            |          |           |
|                                           |                                                       |          |           |
|                                           | * 'constant' for constant diffusivity model           |          |           |
+-------------------------------------------+-------------------------------------------------------+----------+-----------+
| diffusivity.constant                      | Value of constant species diffusivity. [required if   |  Real    |  0        |
|                                           | diffusivity_model='constant'].                        |          |           |
+-------------------------------------------+-------------------------------------------------------+----------+-----------+
| specific_heat                             | Specify which specific heat model to use for species  | String   |  None     |
|                                           | [required if fluid.molecular_weight='mixture'].       |          |           |
|                                           | Available options include:                            |          |           |
|                                           |                                                       |          |           |
|                                           | * 'constant' for constant specific heat model         |          |           |
|                                           | * 'nasa7-poly' for NASA7 Polynomials model            |          |           |
+-------------------------------------------+-------------------------------------------------------+----------+-----------+
| [specie0].specific_heat.constant          | Value of constant species diffusivity. [required if   |  Real    |  0        |
|                                           | diffusivity model='constant'].                        |          |           |
+-------------------------------------------+-------------------------------------------------------+----------+-----------+
| [specie0].specific_heat.NASA7.a[i]        | Value of i-th coefficient, with i=0,..,6 for NASA7    |  Real    |  0        |
|                                           | polynomial coefficient [required if specific heat     |          |           |
|                                           | model='NASA7-Poly'].                                  |          |           |
+-------------------------------------------+-------------------------------------------------------+----------+-----------+
| [specie0].enthalpy_of_formation           | Value of constant enthalpy of formation. [required if |  Real    |  0        |
|                                           | specific heat model='constant'].                      |          |           |
+-------------------------------------------+-------------------------------------------------------+----------+-----------+

Below is an example for specifying species solver model options.

.. code-block:: none

   species.solve = O2  CO  CO2  Fe2O3  FeO

   species.diffusivity = constant
   species.diffusivity.constant = 1.9e-5

   species.specific_heat = NASA7-poly

   # Oxygen
   species.O2.molecular_weight = 31.99880e-3
   species.O2.specific_heat.NASA7.a0 =  3.78245636E+00    3.66096065E+00
   species.O2.specific_heat.NASA7.a1 = -2.99673416E-03    6.56365811E-04
   species.O2.specific_heat.NASA7.a2 =  9.84730201E-06   -1.41149627E-07
   species.O2.specific_heat.NASA7.a3 = -9.68129509E-09    2.05797935E-11
   species.O2.specific_heat.NASA7.a4 =  3.24372837E-12   -1.29913436E-15
   species.O2.specific_heat.NASA7.a5 = -1.06394356E+03   -1.21597718E+03

   # Carbon monoxide
   species.CO.molecular_weight = 28.01040e-3
   species.CO.specific_heat.NASA7.a0 =  3.57953350E+00    3.04848590E+00
   species.CO.specific_heat.NASA7.a1 = -6.10353690E-04    1.35172810E-03
   species.CO.specific_heat.NASA7.a2 =  1.01681430E-06   -4.85794050E-07
   species.CO.specific_heat.NASA7.a3 =  9.07005860E-10    7.88536440E-11
   species.CO.specific_heat.NASA7.a4 = -9.04424490E-13   -4.69807460E-15
   species.CO.specific_heat.NASA7.a5 = -1.43440860E+04   -1.42661170E+04

   # Carbon dioxide
   species.CO2.molecular_weight = 44.00980e-3
   species.CO2.specific_heat.NASA7.a0 =  2.35681300E+00    4.63651110E+00
   species.CO2.specific_heat.NASA7.a1 =  8.98412990E-03    2.74145690E-03
   species.CO2.specific_heat.NASA7.a2 = -7.12206320E-06   -9.95897590E-07
   species.CO2.specific_heat.NASA7.a3 =  2.45730080E-09    1.60386660E-10
   species.CO2.specific_heat.NASA7.a4 = -1.42885480E-13   -9.16198570E-15
   species.CO2.specific_heat.NASA7.a5 = -4.83719710E+04   -4.90249040E+04

   # Hematite
   species.Fe2O3.molecular_weight = 159.68820e-3
   species.Fe2O3.specific_heat.NASA7.a0 =  1.52218166E-01    2.09445369E+01
   species.Fe2O3.specific_heat.NASA7.a1 =  6.70757040E-02    0.00000000E+00
   species.Fe2O3.specific_heat.NASA7.a2 = -1.12860954E-04    0.00000000E+00
   species.Fe2O3.specific_heat.NASA7.a3 =  9.93356662E-08    0.00000000E+00
   species.Fe2O3.specific_heat.NASA7.a4 = -3.27580975E-11    0.00000000E+00
   species.Fe2O3.specific_heat.NASA7.a5 = -1.01344092E+05   -1.07936580E+05

   # Wustite
   species.FeO.molecular_weight = 71.84440e-3
   species.FeO.specific_heat.NASA7.a0 =  3.68765953E+00    1.81588527E+00
   species.FeO.specific_heat.NASA7.a1 =  1.09133433E-02    1.70742829E-02
   species.FeO.specific_heat.NASA7.a2 = -1.61179493E-05   -2.39919190E-05
   species.FeO.specific_heat.NASA7.a3 =  1.06449256E-08    1.53690046E-08
   species.FeO.specific_heat.NASA7.a4 = -2.39514915E-12   -3.53442390E-12
   species.FeO.specific_heat.NASA7.a5 = -3.34867527E+04   -3.30239565E+04
