Updates for rationalized inputs / fluids, solids, ...

Jordan Musserrequested to merge
jmusser/exa-docs:rationalize-fluids-solids-pic-dem-chemistry into main

Updated docs for input key rationalization -- see https://mfix.netl.doe.gov/gitlab/exa/mfix/-/merge_requests/1935

Edited by Jordan Musser

Merge request reports

docs/source_docs/references/Chemistry_Chapter.rst

+2 −2
Changes for docs/source_docs/references/Chemistry_Chapter.rst: 2 added lines, 2 removed lines.
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@@ -179,7 +179,7 @@ is stored using the name given in the inputs file. 


   # Fluid model settings

   # -----------------------------------------------------------------------

   fluid.solve = fluid

   fluids = fluid



   fluid.species = CH4 O2 CO2 H2O N2
@@ -199,7 +199,7 @@ is stored using the name given in the inputs file. 


   # Chemical reactions:

   # -----------------------------------------------------------------------

   chemistry.solve = AdiabaticFlame

   chemistry.reactions = AdiabaticFlame



   chemistry.AdiabaticFlame.reaction = CH4(g) + 2O2(g) --> CO2(g) + 2H2O(g)

docs/source_docs/tutorials/fluid/index.rst

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Changes for docs/source_docs/tutorials/fluid/index.rst: 1 added line, 1 removed line.
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@@ -4,7 +4,7 @@ Fluid 
=======



Tutorials in this category use MFIX-Exa's fluid solver with no particle

phase present (``dem.solve = none``, ``pic.solve = none``). This includes

phase present (``solids.dem = none``, ``solids.pic = none``). This includes

ordinary single-fluid flow as well as any case that tracks two immiscible

fluids by density within the same solver, such as a Rayleigh-Taylor case.

docs/source_docs/user_guide/inputs/chemical_reactions.rst

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Changes for docs/source_docs/user_guide/inputs/chemical_reactions.rst: 5 added lines, 5 removed lines.
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@@ -11,7 +11,7 @@ The following inputs are defined using the prefix ``chemistry``: 
+--------------------------+---------------------------------------------------------+----------+----------------+

|                          | Description                                             |   Type   | Default        |

+==========================+=========================================================+==========+================+

| solve                    | Specify the name(s) of the chemical reactions or set    |  Strings |                |

| reactions                | Specify the name(s) of the chemical reactions or set    |  Strings |                |

|                          | to None to disable the chemistry solver. The name(s)    |          |                |

|                          | assigned to the chemistry solver are used to specify    |          |                |

|                          | the chemical reactions equations.                       |          |                |
@@ -186,7 +186,7 @@ to chemical reactions. 


  # Species model settings

  #----------------------------------------------------------------------

  species.solve  =  CH4  H2  CO  H2O  CO2  O2  N2  Fe2O3  FeO  inert

  species  =  CH4  H2  CO  H2O  CO2  O2  N2  Fe2O3  FeO  inert



  species.diffusivity.model     = constant

  species.diffusivity.constant  =  2.31000e-5  # m^2 / sec
@@ -286,7 +286,7 @@ to chemical reactions. 


  # Fluid model settings

  #----------------------------------------------------------------------

  fluid.solve = fluid

  fluids = fluid



  fluid.enable.density_advection = true
@@ -306,7 +306,7 @@ to chemical reactions. 


  # Solids model settings

  #----------------------------------------------------------------------

  solids.types = solid0

  solids = solid0

  solids.reference_temperature = 298.15



  solids.species  =  Fe2O3  FeO  inert
@@ -316,7 +316,7 @@ to chemical reactions. 


  # Chemistry model settings

  #----------------------------------------------------------------------

  chemistry.solve  =  Hem_CH4  Hem_H2  Hem_CO  Wus_O2

  chemistry.reactions  =  Hem_CH4  Hem_H2  Hem_CO  Wus_O2



  chemistry.Hem_CH4.reaction = Fe2O3(s)+0.25CH4(g)-->2.FeO(s)+0.25CO2(g)+0.5H2O(g)

  chemistry.Hem_H2.reaction  = Fe2O3(s)+H2(g)-->2.FeO(s)+H2O(g)

docs/source_docs/user_guide/inputs/fluid_model.rst

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Changes for docs/source_docs/user_guide/inputs/fluid_model.rst: 7 added lines, 10 removed lines.
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@@ -3,26 +3,23 @@ 
Fluid model

===========





The following inputs are defined using the prefix ``fluid``:



+--------------------------------------------+-------------------------------------------------------------+--------+----------+

|                                            | Description                                                 |  Type  | Default  |

+============================================+=============================================================+========+==========+

| solve                                      | Specify the name of the fluid or set to empty string or     | String |          |

| fluids                                     | Specify the name of the fluid or set to empty string or     | String |          |

|                                            | ``None`` to disable the fluid solver. The name assigned to  |        |          |

|                                            | the fluid solver is used to specify fluid properties and    |        |          |

|                                            | initial and boundary conditions.  It is common to use the   |        |          |

|                                            | name ``fluid``.                                             |        |          |

+--------------------------------------------+-------------------------------------------------------------+--------+----------+

| species                                    | Specify the species that constitute the fluid.              | Strings|  None    |

| fluid.species                              | Specify the species that constitute the fluid.              | Strings|  None    |

|                                            |                                                             |        |          |

|                                            | All listed species must be properly defined. See the        |        |          |

|                                            | :ref:`species definition documentation<InputsSpeciesDefs>`  |        |          |

|                                            | for additional details.                                     |        |          |

+--------------------------------------------+-------------------------------------------------------------+--------+----------+



The root prefix ``[fluid_name]`` for the following inputs is the name defined using the ``fluid.solve`` keyword. For example, if

The root prefix ``[fluid_name]`` for the following inputs is the name defined using the ``fluids`` keyword. For example, if

the fluid solver is named ``myfluid``, then the following keywords are preceded with ``myfluid`` and a period. Currently, MFIX-Exa

only supports a single fluid; therefore, it is common to name the fluid ``fluid``. This is illustrated later in example input

snippets.
@@ -499,7 +496,7 @@ Example inputs defining a weighted‑sum‑of‑gray‑gases model using three g 
pressure path‑length product ``PS`` is computed from the partial pressures of real gases ``CO2`` and

``H2O``.  As before, this is not a complete input file and does not represent a real WSGG dataset.::



   species.solve = O2 H2O CO2 coal ash

   species = O2 H2O CO2 coal ash

   fluid.species = CO2 H2O O2



   fluid0.radiation.absorption.T_range = 600. 2400.
@@ -556,7 +553,7 @@ are not solved. 


   # Fluid model settings

   # -----------------------------------------------------------------------

   fluid.solve = fluid0

   fluids = fluid0



   fluid.enable.density_advection = false
@@ -611,7 +608,7 @@ pressure when evaluating the equation of state. 


   # Fluid model settings

   # -----------------------------------------------------------------------

   fluid.solve = fluid0

   fluids = fluid0



   fluid.enable.density_advection = true
@@ -670,7 +667,7 @@ thermodynamic pressure for the system. 


   # Fluid model settings

   # -----------------------------------------------------------------------

   fluid.solve = fluid0

   fluids = fluid0



   fluid.enable.density_advection = true

docs/source_docs/user_guide/inputs/model_options.rst

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Changes for docs/source_docs/user_guide/inputs/model_options.rst: 1 added line, 1 removed line.
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@@ -22,7 +22,7 @@ The following input is defined using the prefix ``mfix``: 
+--------------------------+----------------------------------------------------------------------------+----------+---------+

| enable.solids            | Enable the solids solver for DEM or PIC.                                   | Bool     | false   |

+--------------------------+----------------------------------------------------------------------------+----------+---------+

| enable.species           | Enable the MFIX species solver.                                            | Int      | false   |

| enable.species           | Enable the MFIX species solver.                                            | Bool     | false   |

+--------------------------+----------------------------------------------------------------------------+----------+---------+

| enable.energy            | Enable time evolution of fluid temperature and enthalpy.                   | Bool     | false   |

+--------------------------+----------------------------------------------------------------------------+----------+---------+