diff --git a/docs/source/inputs/InputsProblemDefinition.rst b/docs/source/inputs/InputsProblemDefinition.rst index 5acae5687f1996dc19c1484060f70b532015ec6f..a54e0d4241908397e40625d0f3865ed15e3516e0 100644 --- a/docs/source/inputs/InputsProblemDefinition.rst +++ b/docs/source/inputs/InputsProblemDefinition.rst @@ -17,6 +17,8 @@ units. +----------------------------+-----------------------------------------+ | Physical quantity | MFIX-Exa SI unit | +============================+=========================================+ +| amount of substance | mole [:math:`mol`] | ++----------------------------+-----------------------------------------+ | length | meter [:math:`m`] | +----------------------------+-----------------------------------------+ | mass | kilogram [:math:`kg`] | @@ -47,6 +49,12 @@ units. +----------------------------+-----------------------------------------+ | spring coefficient | [:math:`N \cdot m^{-1}`] | +----------------------------+-----------------------------------------+ +| molecular weight | [:math:`kg \cdot mol^{-1}`] | ++----------------------------+-----------------------------------------+ +| heat of formation | [:math:`J \cdot kg^{-1}`] | ++----------------------------+-----------------------------------------+ +| chemical reaction rate | [:math:`mol \cdot m^{-3} \cdot s^{-1}`] | ++----------------------------+-----------------------------------------+ Mesh settings @@ -100,7 +108,7 @@ The following inputs must be preceded by "mfix." +------------------------+-------------------------------------------------------------------+----------+-----------+ | po_no_par_out | Let particles exit (default) or bounce-back at pressure outflows | Int | 0 | +------------------------+-------------------------------------------------------------------+----------+-----------+ -| gravity | Gravity vector (e.g., mfix.gravity = -9.81 0.0 0.0) [required] | Reals | None | +| gravity | Gravity vector (e.g., mfix.gravity = -9.81 0.0 0.0) [required] | Reals | 0 0 0 | +------------------------+-------------------------------------------------------------------+----------+-----------+ | advect_density | Switch for turning ON (1) or OFF (0) fluid density evolution | Int | 0 | +------------------------+-------------------------------------------------------------------+----------+-----------+ @@ -112,8 +120,9 @@ The following inputs must be preceded by "mfix." | solve_reactions | Switch for turning ON (1) or OFF (0) inter/intra-phase chemical | Int | 0 | | | reactions | | | +------------------------+-------------------------------------------------------------------+----------+-----------+ -| open_system_constraint | Switch for turning ON (1) or OFF (0) the open-system constraint. | Int | 0 | -| | By default, the cold-flow constraint is used. | | | +| ideal_gas_constraint | Turn this ON to impose an open/closed system ideal-gas constraint | String | None | +| | Default is 'None' (no ideal-gas constraint). To activate it, pass | | | +| | 'OpenSystem' or 'ClosedSystem' (case-insensitive) | | | +------------------------+-------------------------------------------------------------------+----------+-----------+ @@ -133,30 +142,39 @@ Enabling the species mass fraction solver and specifying species model options. 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 | | | -+----------------------------------+-------------------------------------------------------+----------+-----------+ -| [specie0].diffusivity.constant | Value of constant species diffusivity. [required if | Real | None | -| | 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 | | | -+----------------------------------+-------------------------------------------------------+----------+-----------+ -| [specie0].specific_heat.constant | Value of constant species diffusivity. [required if | Real | None | -| | diffusivity_model='constant']. | | | -+----------------------------------+-------------------------------------------------------+----------+-----------+ ++-------------------------------------------+-------------------------------------------------------+----------+-----------+ +| | 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 | | | ++-------------------------------------------+-------------------------------------------------------+----------+-----------+ +| [specie0].diffusivity.constant | Value of constant species diffusivity. [required if | Real | None | +| | 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 | | | ++-------------------------------------------+-------------------------------------------------------+----------+-----------+ +| [specie0].specific_heat.constant | Value of constant species diffusivity. [required if | Real | None | +| | diffusivity model='constant']. | | | ++-------------------------------------------+-------------------------------------------------------+----------+-----------+ +| enthalpy_of_formation | Specify which enthalpy of formation model to use for | String | None | +| | species. | | | +| | Available options include: | | | +| | | | | +| | * 'constant' for constant enthalpy of formation model | | | ++-------------------------------------------+-------------------------------------------------------+----------+-----------+ +| [specie0].enthalpy_of_formation.constant | Value of constant enthalpy of formation. [required if | Real | None | +| | enthalpy of formation model='constant']. | | | ++-------------------------------------------+-------------------------------------------------------+----------+-----------+ Below is an example for specifying species solver model options. @@ -180,6 +198,12 @@ Below is an example for specifying species solver model options. species.H2O.specific_heat.constant = 4186.0 species.He.specific_heat.constant = 1667.0 + species.enthalpy_of_formation = constant + + species.O2.enthalpy_of_formation.constant = 0 + species.H2O.enthalpy_of_formation.constant = -15861265.26 # J/kg + species.He.enthalpy_of_formation.constant = 0 + Fluid model settings -------------------- @@ -196,54 +220,66 @@ Enabling the fluid solver and specifying fluid model options. The following inputs must be preceded by the given to the fluid solver e.g., "fluid." -+-------------------------------+----------------------------------------------------------------+----------+-----------+ -| | Description | Type | Default | -+===============================+================================================================+==========+===========+ -| density | Specify which density model to use for fluid [required]. | String | None | -| | Available options include: | | | -| | | | | -| | * 'constant' for constant density model | | | -+-------------------------------+----------------------------------------------------------------+----------+-----------+ -| density.constant | Value of constant fluid density [required if density= | Real | None | -| | 'constant']. | | | -+-------------------------------+----------------------------------------------------------------+----------+-----------+ -| molecular_weight | Specify which molecular weight model to use for fluid. | String | Constant | -| | Available options include: | | | -| | | | | -| | * 'constant' for constant molecular weight model | | | -| | * 'mixture' for species-mixture molecular weight model | | | -+-------------------------------+----------------------------------------------------------------+----------+-----------+ -| molecular_weight.constant | Value of constant fluid molecular weight [required if | Real | 0 | -| | molecular_weight='constant']. | | | -+-------------------------------+----------------------------------------------------------------+----------+-----------+ -| viscosity | Specify which viscosity model to use for fluid [required]. | String | None | -| | Available options include: | | | -| | | | | -| | * 'constant' for constant viscosity model | | | -+-------------------------------+----------------------------------------------------------------+----------+-----------+ -| viscosity.constant | Value of constant fluid viscosity [required if | Real | None | -| | viscosity_model='constant']. | | | -+-------------------------------+----------------------------------------------------------------+----------+-----------+ -| specific_heat | Specify which specific heat model to use for fluid [required | String | None | -| | if advect_enthalpy]. Available options include: | | | -| | | | | -| | * 'constant' for constant specific heat model | | | -+-------------------------------+----------------------------------------------------------------+----------+-----------+ -| specific_heat.constant | Value of constant fluid specific heat [required if | Real | None | -| | specific_heat_model='constant']. | | | -+-------------------------------+----------------------------------------------------------------+----------+-----------+ -| thermal_conductivity | Specify which thermal conductivity model to use for fluid | String | None | -| | [required if advect_enthalpy=1]. available options include: | | | -| | | | | -| | * 'constant' for constant thermal conductivity model | | | -+-------------------------------+----------------------------------------------------------------+----------+-----------+ -| thermal_conductivity.constant | Value of constant fluid thermal conductivity [required if | Real | None | -| | thermal_conductivity_model='constant']. | | | -+-------------------------------+----------------------------------------------------------------+----------+-----------+ -| species | Specify which species can constitute the fluid phase | String | None | -| | [defined species must be a subset of the species.solve | | | -| | arguments] | | | -+-------------------------------+----------------------------------------------------------------+----------+-----------+ ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| | Description | Type | Default | ++==========================================+=========================================================+========+==========+ +| density | Specify which density model to use for fluid | String | None | +| | [required]. Available options include: | | | +| | | | | +| | * 'constant' for constant density model | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| density.constant | Value of constant fluid density [required if density= | Real | None | +| | 'constant']. | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| molecular_weight | Specify which molecular weight model to use for fluid. | String | Constant | +| | Available options include: | | | +| | | | | +| | * 'constant' for constant molecular weight model | | | +| | * 'mixture' for species-mixture molecular weight model | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| molecular_weight.constant | Value of constant fluid molecular weight [required if | Real | 0 | +| | molecular_weight='constant']. | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| viscosity | Specify which viscosity model to use for fluid | String | None | +| | [required]. Available options include: | | | +| | | | | +| | * 'constant' for constant viscosity model | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| viscosity.constant | Value of constant fluid viscosity [required if | Real | None | +| | viscosity_model='constant']. | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| specific_heat | Specify which specific heat model to use for fluid | String | None | +| | [required if advect_enthalpy]. Available options | | | +| | include: | | | +| | | | | +| | * 'constant' for constant specific heat model | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| specific_heat.constant | Value of constant fluid specific heat [required if | Real | None | +| | specific_heat_model='constant']. | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| thermal_conductivity | Specify which thermal conductivity model to use for | String | None | +| | fluid [required if advect_enthalpy=1]. available | | | +| | options include: | | | +| | | | | +| | * 'constant' for constant thermal conductivity model | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| thermal_conductivity.constant | Value of constant fluid thermal conductivity [required | Real | None | +| | if thermal_conductivity_model='constant']. | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| reference_temperature | Value of the reference temperature used for specific | Real | 0 | +| | enthalpy | Real | 0 | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| species | Specify which species can constitute the fluid phase | String | None | +| | [defined species must be a subset of the species.solve | | | +| | arguments] | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| species.[species0].specific_heat | Specify species0 specific heat if it is different than | Real | 0 | +| | the value specified in the species model settings | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ +| species.[species0].enthalpy_of_formation | Specify species0 enthalpy of formation if it is | Real | 0 | +| | different than the value specified in the species | | | +| | model settings | | | ++------------------------------------------+---------------------------------------------------------+--------+----------+ Below is an example for specifying fluid solver model options. @@ -265,8 +301,20 @@ Below is an example for specifying fluid solver model options. myfluid.thermal_conductivity = constant myfluid.thermal_conductivity.constant = 0.024 + myfluid.reference_temperature = 298.15 + myfluid.species = O2 He + # this is optional. it has to be specified in case it is different than + # the value passed in the species section + myfluid.species.O2.specific_heat = 918.0 + myfluid.species.He.specific_heat = 1667.0 + + # this is optional. it has to be specified in case it is different than + # the value passed in the species section + myfluid.species.O2.enthalpy_of_formation = 0 + myfluid.species.He.enthalpy_of_formation = 0 + Solids model settings --------------------- @@ -284,29 +332,47 @@ models. The following inputs define the single solids properties. -+------------------------------------+--------------------------------------------------------+----------+-----------+ -| | Description | Type | Default | -+====================================+========================================================+==========+===========+ -| [solid0].molecular_weight | Specify which molecular weight model to use for solid. | String | Constant | -| | Available options include: | | | -| | | | | -| | * 'constant' for constant molecular weight model | | | -+------------------------------------+--------------------------------------------------------+----------+-----------+ -| [solid0].molecular_weight.constant | Value of constant solid molecular weight [required if | Real | 0 | -| | molecular_weight='constant']. | | | -+------------------------------------+--------------------------------------------------------+----------+-----------+ -| [solid0].specific_heat | Specify which specific heat model to use for solid. | String | None | -| | Available options include: | | | -| | | | | -| | * 'constant' for constant specific heat model | | | -+------------------------------------+--------------------------------------------------------+----------+-----------+ -| [solid0].specific_heat.constant | Value of species molecular weight. [required if | Real | 0 | -| | fluid.specific_heat='constant']. | | | -+------------------------------------+--------------------------------------------------------+----------+-----------+ -| [solid0].species | Specify which species can constitute the fluid phase | String | None | -| | [defined species must be a subset of the species.solve | | | -| | arguments]. | | | -+------------------------------------+--------------------------------------------------------+----------+-----------+ ++---------------------------------------------------+-----------------------------------------+----------+-----------+ +| | Description | Type | Default | ++===================================================+=========================================+==========+===========+ +| [solid0].molecular_weight | Specify which molecular weight model to | String | Constant | +| | use for solid. Available options | | | +| | include: | | | +| | | | | +| | * 'constant' for constant molecular | | | +| | weight model | | | ++---------------------------------------------------+-----------------------------------------+----------+-----------+ +| [solid0].molecular_weight.constant | Value of constant solid molecular | Real | 0 | +| | weight [required if molecular_weight = | | | +| | 'constant']. | | | ++---------------------------------------------------+-----------------------------------------+----------+-----------+ +| [solid0].specific_heat | Specify which specific heat model to | String | None | +| | use for solid. Available options | | | +| | include: | | | +| | | | | +| | * 'constant' for constant specific heat | | | +| | model | | | ++---------------------------------------------------+-----------------------------------------+----------+-----------+ +| [solid0].specific_heat.constant | Value of species molecular weight. | Real | 0 | +| | [required if fluid.specific_heat = | | | +| | 'constant']. | | | ++---------------------------------------------------+-----------------------------------------+----------+-----------+ +| [solid0].reference_temperature | Value of the reference temperature used | Real | 0 | +| | for specific enthalpy | | | ++---------------------------------------------------+-----------------------------------------+----------+-----------+ +| [solid0].species | Specify which species can constitute | String | None | +| | the fluid phase [defined species must | | | +| | be a subset of the species.solve | | | +| | arguments]. | | | ++---------------------------------------------------+-----------------------------------------+----------+-----------+ +| [solid0].species.[species0].specific_heat | Specify species0 specific heat if it is | Real | 0 | +| | different than the value specified in | | | +| | the species model settings | | | ++---------------------------------------------------+-----------------------------------------+----------+-----------+ +| [solid0].species.[species0].enthalpy_of_formation | Specify species0 enthalpy of formation | Real | 0 | +| | if it is different than the value | | | +| | specified in the species model settings | | | ++---------------------------------------------------+-----------------------------------------+----------+-----------+ Below is an example for specifying the solids solver model options. @@ -317,11 +383,21 @@ Below is an example for specifying the solids solver model options. mysolid.molecular_weight = constant mysolid.molecular_weight.constant = 18.01528 + mysolid.reference_temperature = 298.15 + mysolid.specific_heat = constant - mysolid.specific_heat.constant = 918 + mysolid.specific_heat.constant = 4186 mysolid.species = H2O + # this is optional. it has to be specified in case it is different than + # the value passed in the species section + mysolid.species.H20.specific_heat = 4186.0 + + # this is optional. it has to be specified in case it is different than + # the value passed in the species section + mysolid.species.H2O.enthalpy_of_formation = -15861265.26 + Chemical Reactions model settings ---------------------------------