Loading docs/source/inputs/InputsProblemDefinition.rst +138 −119 Original line number Diff line number Diff line Loading @@ -177,44 +177,72 @@ Below is an example for specifying species solver model options. .. code-block:: none species.solve = O2 H2O He species.O2.molecular_weight = 32.0e-3 species.H2O.molecular_weight = 18.01528e-3 species.He.molecular_weight = 4.0e-3 species.solve = O2 CO CO2 Fe2O3 FeO species.diffusivity = constant species.diffusivity.constant = 1.9e-5 species.specific_heat = constant species.O2.specific_heat.constant = 918.0 species.H2O.specific_heat.constant = 4186.0 species.He.specific_heat.constant = 1667.0 species.O2.enthalpy_of_formation = 0 species.H2O.enthalpy_of_formation = -15861265.26 # J/kg species.He.enthalpy_of_formation = 0 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 Fluid model settings -------------------- Enabling the fluid solver and specifying fluid model options. +----------------------+-------------------------------------------------------------------------+----------+-----------+ | | Description | Type | Default | +======================+=========================================================================+==========+===========+ | fluid.solve | Specified name of the fluid or None to disable the fluid solver. The | String | None | | | name assigned to the fluid solver is used to specify fluid inputs. | | | +----------------------+-------------------------------------------------------------------------+----------+-----------+ The following inputs must be preceded by the given to the fluid solver e.g., "fluid." +------------------------------------------+----------------------------------------------------------+--------+----------+ | | Description | Type | Default | +==========================================+==========================================================+========+==========+ | solve | Specify the names of the fluids or None to disable the | String | None | | | fluid solver. The name assigned to the fluid solver is | | | | | used to specify fluids inputs. | | | +------------------------------------------+----------------------------------------------------------+--------+----------+ | molecular_weight | Value of constant fluid molecular weight | Real | 0 | +------------------------------------------+----------------------------------------------------------+--------+----------+ | viscosity | Specify which viscosity model to use for fluid | String | None | Loading Loading @@ -254,13 +282,6 @@ The following inputs must be preceded by the given to the fluid solver e.g., "fl | | [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 | | | +------------------------------------------+----------------------------------------------------------+--------+----------+ | newton_solver.absolute_tol | Define absolute tolerance for Damped-Newton solver | Real | 1.e-8 | +------------------------------------------+----------------------------------------------------------+--------+----------+ | newton_solver.relative_tol | Define relative tolerance for Damped-Newton solver | Real | 1.e-8 | Loading @@ -272,29 +293,19 @@ Below is an example for specifying fluid solver model options. .. code-block:: none fluid.solve = myfluid myfluid.viscosity = constant myfluid.viscosity.constant = 1.8e-5 myfluid.specific_heat = mixture fluid.solve = my_fluid myfluid.thermal_conductivity = constant myfluid.thermal_conductivity.constant = 0.024 fluid.viscosity = constant fluid.viscosity.constant = 1.8e-5 myfluid.reference_temperature = 298.15 fluid.reference_temperature = 298.15 myfluid.species = O2 He fluid.thermal_conductivity = constant fluid.thermal_conductivity.constant = 0.024 # 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 fluid.specific_heat = mixture # 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 fluid.species = O2 CO CO2 Solids model settings Loading @@ -310,16 +321,6 @@ models. The following inputs must be preceded by the "solids." root | | the SOLIDS solver. The user defined names are used to | | | | | specify DEM and/or PIC model inputs. | | | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | newton_solver.absolute_tol | Define absolute tolerance for Damped-Newton solver | Real | 1.e-6 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | newton_solver.relative_tol | Define relative tolerance for Damped-Newton solver | Real | 1.e-6 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | newton_solver.max_iterations | Define max number of iterations for Damped-Newton solver | int | 100 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | plot_regions | This input helps setting which regions to use for filtering | String | None | | | solids data by plotting only those particles that reside | | | | | in the specified regions | | | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | molecular_weight | Value of constant solid molecular | Real | 0 | | | weight | | | +------------------------------------------+-------------------------------------------------------------+----------+----------+ Loading @@ -342,32 +343,28 @@ models. The following inputs must be preceded by the "solids." root | | be a subset of the species.solve | | | | | arguments]. | | | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | species.[species0].specific_heat | Specify species0 specific heat if it is | Real | 0 | | | different than the value specified in | | | | | the species model settings | | | | newton_solver.absolute_tol | Define absolute tolerance for Damped-Newton solver | Real | 1.e-6 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | 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 | | | | newton_solver.relative_tol | Define relative tolerance for Damped-Newton solver | Real | 1.e-6 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | newton_solver.max_iterations | Define max number of iterations for Damped-Newton solver | int | 100 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | plot_regions | This input helps setting which regions to use for filtering | String | None | | | solids data by plotting only those particles that reside | | | | | in the specified regions | | | +------------------------------------------+-------------------------------------------------------------+----------+----------+ Below is an example for specifying the solids solver model options. .. code-block:: none solids.types = mysolid solids.types = my_solid0 my_solid1 solids.reference_temperature = 298.15 solids.species = H2O solids.specific_heat = mixture # 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 solids.species = Fe2O3 FeO Chemical Reactions model settings Loading Loading @@ -396,10 +393,10 @@ The following inputs must be preceded by the "chemistry." prefix .. code-block:: none chemistry.solve = myreaction0 myreaction1 chemistry.solve = my_reaction0 my_reaction1 myreaction0.reaction = CH4(g)+2O2(g)-->CO2(g)+2H2O(g) myreaction1.reaction = C(s)+0.5O2(g)-->CO(g) my_reaction0.reaction = Fe2O3(s)+CO(g)-->2.FeO(s)+CO2(g) my_reaction1.reaction = FeO(s)+0.25O2(g)-->0.5Fe2O3(s) DEM model settings Loading Loading @@ -533,11 +530,11 @@ For a fluid phase, the following inputs can be defined. The name of the DEM phases to be defined in the IC region and the packing must be defined. +---------------------+----------------------------------------------------------------+-------------+-----------+ +---------------------+------------------------------------------------------------------+-------------+-----------+ | | Description | Type | Default | +=====================+================================================================+=============+===========+ | ic.[region].solids | List of solids | Strings | None | +---------------------+----------------------------------------------------------------+-------------+-----------+ +=====================+==================================================================+=============+===========+ | ic.[region].solids | Solids type in this IC region (only one type per region allowed) | String | None | +---------------------+------------------------------------------------------------------+-------------+-----------+ | ic.[region].packing | Specifies how auto-generated particles are placed in the IC | String | None | | | region: | | | | | | | | Loading @@ -549,7 +546,7 @@ The name of the DEM phases to be defined in the IC region and the packing must b | | * n-cube -- n^3 particles per cell where n is an integer | | | | | | | | | | (NOTE: oneper is equivalent to 1-cube and eightper to 2-cube) | | | +---------------------+----------------------------------------------------------------+-------------+-----------+ +---------------------+------------------------------------------------------------------+-------------+-----------+ For each solid, the following inputs may be defined. Loading Loading @@ -604,32 +601,55 @@ Below is an example for specifying an initial condition for a fluid (fluid) and .. code-block:: none ic.regions = bed ic.regions = bed0 bed1 ic.bed0.my_fluid.volfrac = 0.725 ic.bed0.my_fluid.density = 1.0 ic.bed0.my_fluid.velocity = 0.015 0.00 0.00 ic.bed0.my_fluid.temperature = 383.0 ic.bed0.my_fluid.species.CO = 0.3 ic.bed0.my_fluid.species.CO2 = 0.2 ic.bed0.my_fluid.species.O2 = 0.5 ic.bed0.solids = my_solid0 ic.bed0.packing = pseudo_random ic.bed0.my_solid0.volfrac = 0.275 ic.bed0.my_solid0.temperature = 400.0 ic.bed0.my_solid0.species.Fe2O3 = 0.4 ic.bed0.my_solid0.species.FeO = 0.6 ic.bed0.my_solid0.velocity = 0.00 0.00 0.00 ic.bed0.my_solid0.diameter = constant ic.bed0.my_solid0.diameter.constant = 100.0e-6 ic.bed.fluid.volfrac = 0.725 ic.bed.fluid.density = 1.0 ic.bed.fluid.velocity = 0.015 0.00 0.00 ic.bed.fluid.temperature = 383.0 ic.bed.fluid.species.H20 = 0.3 ic.bed.fluid.species.He = 0.2 ic.bed.fluid.species.O2 = 0.5 ic.bed0.my_solid0.density = constant ic.bed0.my_solid0.density.constant = 1000.0 ic.bed.solids = solid0 ic.bed.packing = pseudo_random ic.bed1.my_fluid.volfrac = 0.925 ic.bed1.my_fluid.density = 1.0 ic.bed1.my_fluid.velocity = 0.015 0.00 0.00 ic.bed1.my_fluid.temperature = 383.0 ic.bed1.my_fluid.species.CO = 0.5 ic.bed1.my_fluid.species.CO2 = 0.5 ic.bed1.my_fluid.species.O2 = 0.0 ic.bed.solid0.volfrac = 0.275 ic.bed.solid0.temperature = 400.0 ic.bed.solid0.species.C = 0.4 ic.bed.solid0.species.H20 = 0.6 ic.bed1.solids = my_solid1 ic.bed1.packing = pseudo_random ic.bed.solid0.velocity = 0.00 0.00 0.00 ic.bed1.my_solid1.volfrac = 0.075 ic.bed1.my_solid1.temperature = 450.0 ic.bed1.my_solid1.species.Fe2O3 = 0.0 ic.bed1.my_solid1.species.FeO = 1.0 ic.bed.solid0.diameter = constant ic.bed.solid0.diameter.constant = 100.0e-6 ic.bed1.my_solid1.velocity = 0.10 0.00 0.00 ic.bed.solid0.density = constant ic.bed.solid0.density.constant = 1000.0 ic.bed1.my_solid1.diameter = constant ic.bed1.my_solid1.diameter.constant = 110.0e-6 ic.bed1.my_solid1.density = constant ic.bed1.my_solid1.density.constant = 900.0 Boundary Conditions Loading Loading @@ -692,14 +712,13 @@ Below is an example for specifying boundary conditions for a fluid `myfluid`. bc.regions = inflow outflow bc.inflow = mi bc.inflow.myfluid.volfrac = 1.0 bc.inflow.myfluid.density = 1.0 bc.inflow.myfluid.velocity = 0.015 0.0 0.0 bc.inflow.myfluid.temperature = 300 bc.inflow.myfluid.species.O2 = 0.0 bc.inflow.myfluid.species.CO = 0.5 bc.inflow.myfluid.species.H2O = 0.0 bc.inflow.myfluid.species.He = 0.5 bc.inflow.my_fluid.volfrac = 1.0 bc.inflow.my_fluid.density = 1.0 bc.inflow.my_fluid.velocity = 0.015 0.0 0.0 bc.inflow.my_fluid.temperature = 300 bc.inflow.my_fluid.species.O2 = 0.0 bc.inflow.my_fluid.species.CO = 0.5 bc.inflow.my_fluid.species.CO2 = 0.5 bc.outflow = po bc.outflow.myfluid.pressure = 0.0 Loading @@ -718,13 +737,13 @@ by replacing: .. code-block:: none bc.inflow.myfluid.velocity = 0.0 0.0 0.0 0.0 bc.inflow.myfluid.velocity = 3.0 0.015 0.0 0.0 bc.inflow.myfluid.temperature = 0.0 300 bc.inflow.myfluid.temperature = 2.99 300 bc.inflow.myfluid.temperature = 3.0 500 bc.inflow.myfluid.temperature = 4.0 500 bc.inflow.myfluid.temperature = 4.01 300 bc.inflow.my_fluid.velocity = 0.0 0.0 0.0 0.0 bc.inflow.my_fluid.velocity = 3.0 0.015 0.0 0.0 bc.inflow.my_fluid.temperature = 0.0 300 bc.inflow.my_fluid.temperature = 2.99 300 bc.inflow.my_fluid.temperature = 3.0 500 bc.inflow.my_fluid.temperature = 4.0 500 bc.inflow.my_fluid.temperature = 4.01 300 In the above example, the inflow velocity is accelerated from zero to its final value over a period of three seconds. Linear interpolation is used in Loading Loading @@ -803,8 +822,8 @@ Below is an example for specifying a normal inflow velocity magnitude for a regi bc.eb-flow = eb bc.eb-flow.fluid.volfrac = 1.0 bc.eb-flow.fluid.velocity = 0.1 bc.eb-flow.my_fluid.volfrac = 1.0 bc.eb-flow.my_fluid.velocity = 0.1 Below is an example where only specific cells are imposed a velocity in the x-direction. Loading @@ -817,5 +836,5 @@ Below is an example where only specific cells are imposed a velocity in the x-di bc.eb-flow.eb.normal_tol = 3.0 bc.eb-flow.eb.normal = 0.9848 0.0000 0.1736 # 10 deg bc.eb-flow.fluid.volfrac = 1.0 bc.eb-flow.fluid.velocity = 0.1 0.0 0.0 bc.eb-flow.my_fluid.volfrac = 1.0 bc.eb-flow.my_fluid.velocity = 0.1 0.0 0.0 Loading
docs/source/inputs/InputsProblemDefinition.rst +138 −119 Original line number Diff line number Diff line Loading @@ -177,44 +177,72 @@ Below is an example for specifying species solver model options. .. code-block:: none species.solve = O2 H2O He species.O2.molecular_weight = 32.0e-3 species.H2O.molecular_weight = 18.01528e-3 species.He.molecular_weight = 4.0e-3 species.solve = O2 CO CO2 Fe2O3 FeO species.diffusivity = constant species.diffusivity.constant = 1.9e-5 species.specific_heat = constant species.O2.specific_heat.constant = 918.0 species.H2O.specific_heat.constant = 4186.0 species.He.specific_heat.constant = 1667.0 species.O2.enthalpy_of_formation = 0 species.H2O.enthalpy_of_formation = -15861265.26 # J/kg species.He.enthalpy_of_formation = 0 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 Fluid model settings -------------------- Enabling the fluid solver and specifying fluid model options. +----------------------+-------------------------------------------------------------------------+----------+-----------+ | | Description | Type | Default | +======================+=========================================================================+==========+===========+ | fluid.solve | Specified name of the fluid or None to disable the fluid solver. The | String | None | | | name assigned to the fluid solver is used to specify fluid inputs. | | | +----------------------+-------------------------------------------------------------------------+----------+-----------+ The following inputs must be preceded by the given to the fluid solver e.g., "fluid." +------------------------------------------+----------------------------------------------------------+--------+----------+ | | Description | Type | Default | +==========================================+==========================================================+========+==========+ | solve | Specify the names of the fluids or None to disable the | String | None | | | fluid solver. The name assigned to the fluid solver is | | | | | used to specify fluids inputs. | | | +------------------------------------------+----------------------------------------------------------+--------+----------+ | molecular_weight | Value of constant fluid molecular weight | Real | 0 | +------------------------------------------+----------------------------------------------------------+--------+----------+ | viscosity | Specify which viscosity model to use for fluid | String | None | Loading Loading @@ -254,13 +282,6 @@ The following inputs must be preceded by the given to the fluid solver e.g., "fl | | [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 | | | +------------------------------------------+----------------------------------------------------------+--------+----------+ | newton_solver.absolute_tol | Define absolute tolerance for Damped-Newton solver | Real | 1.e-8 | +------------------------------------------+----------------------------------------------------------+--------+----------+ | newton_solver.relative_tol | Define relative tolerance for Damped-Newton solver | Real | 1.e-8 | Loading @@ -272,29 +293,19 @@ Below is an example for specifying fluid solver model options. .. code-block:: none fluid.solve = myfluid myfluid.viscosity = constant myfluid.viscosity.constant = 1.8e-5 myfluid.specific_heat = mixture fluid.solve = my_fluid myfluid.thermal_conductivity = constant myfluid.thermal_conductivity.constant = 0.024 fluid.viscosity = constant fluid.viscosity.constant = 1.8e-5 myfluid.reference_temperature = 298.15 fluid.reference_temperature = 298.15 myfluid.species = O2 He fluid.thermal_conductivity = constant fluid.thermal_conductivity.constant = 0.024 # 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 fluid.specific_heat = mixture # 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 fluid.species = O2 CO CO2 Solids model settings Loading @@ -310,16 +321,6 @@ models. The following inputs must be preceded by the "solids." root | | the SOLIDS solver. The user defined names are used to | | | | | specify DEM and/or PIC model inputs. | | | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | newton_solver.absolute_tol | Define absolute tolerance for Damped-Newton solver | Real | 1.e-6 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | newton_solver.relative_tol | Define relative tolerance for Damped-Newton solver | Real | 1.e-6 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | newton_solver.max_iterations | Define max number of iterations for Damped-Newton solver | int | 100 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | plot_regions | This input helps setting which regions to use for filtering | String | None | | | solids data by plotting only those particles that reside | | | | | in the specified regions | | | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | molecular_weight | Value of constant solid molecular | Real | 0 | | | weight | | | +------------------------------------------+-------------------------------------------------------------+----------+----------+ Loading @@ -342,32 +343,28 @@ models. The following inputs must be preceded by the "solids." root | | be a subset of the species.solve | | | | | arguments]. | | | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | species.[species0].specific_heat | Specify species0 specific heat if it is | Real | 0 | | | different than the value specified in | | | | | the species model settings | | | | newton_solver.absolute_tol | Define absolute tolerance for Damped-Newton solver | Real | 1.e-6 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | 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 | | | | newton_solver.relative_tol | Define relative tolerance for Damped-Newton solver | Real | 1.e-6 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | newton_solver.max_iterations | Define max number of iterations for Damped-Newton solver | int | 100 | +------------------------------------------+-------------------------------------------------------------+----------+----------+ | plot_regions | This input helps setting which regions to use for filtering | String | None | | | solids data by plotting only those particles that reside | | | | | in the specified regions | | | +------------------------------------------+-------------------------------------------------------------+----------+----------+ Below is an example for specifying the solids solver model options. .. code-block:: none solids.types = mysolid solids.types = my_solid0 my_solid1 solids.reference_temperature = 298.15 solids.species = H2O solids.specific_heat = mixture # 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 solids.species = Fe2O3 FeO Chemical Reactions model settings Loading Loading @@ -396,10 +393,10 @@ The following inputs must be preceded by the "chemistry." prefix .. code-block:: none chemistry.solve = myreaction0 myreaction1 chemistry.solve = my_reaction0 my_reaction1 myreaction0.reaction = CH4(g)+2O2(g)-->CO2(g)+2H2O(g) myreaction1.reaction = C(s)+0.5O2(g)-->CO(g) my_reaction0.reaction = Fe2O3(s)+CO(g)-->2.FeO(s)+CO2(g) my_reaction1.reaction = FeO(s)+0.25O2(g)-->0.5Fe2O3(s) DEM model settings Loading Loading @@ -533,11 +530,11 @@ For a fluid phase, the following inputs can be defined. The name of the DEM phases to be defined in the IC region and the packing must be defined. +---------------------+----------------------------------------------------------------+-------------+-----------+ +---------------------+------------------------------------------------------------------+-------------+-----------+ | | Description | Type | Default | +=====================+================================================================+=============+===========+ | ic.[region].solids | List of solids | Strings | None | +---------------------+----------------------------------------------------------------+-------------+-----------+ +=====================+==================================================================+=============+===========+ | ic.[region].solids | Solids type in this IC region (only one type per region allowed) | String | None | +---------------------+------------------------------------------------------------------+-------------+-----------+ | ic.[region].packing | Specifies how auto-generated particles are placed in the IC | String | None | | | region: | | | | | | | | Loading @@ -549,7 +546,7 @@ The name of the DEM phases to be defined in the IC region and the packing must b | | * n-cube -- n^3 particles per cell where n is an integer | | | | | | | | | | (NOTE: oneper is equivalent to 1-cube and eightper to 2-cube) | | | +---------------------+----------------------------------------------------------------+-------------+-----------+ +---------------------+------------------------------------------------------------------+-------------+-----------+ For each solid, the following inputs may be defined. Loading Loading @@ -604,32 +601,55 @@ Below is an example for specifying an initial condition for a fluid (fluid) and .. code-block:: none ic.regions = bed ic.regions = bed0 bed1 ic.bed0.my_fluid.volfrac = 0.725 ic.bed0.my_fluid.density = 1.0 ic.bed0.my_fluid.velocity = 0.015 0.00 0.00 ic.bed0.my_fluid.temperature = 383.0 ic.bed0.my_fluid.species.CO = 0.3 ic.bed0.my_fluid.species.CO2 = 0.2 ic.bed0.my_fluid.species.O2 = 0.5 ic.bed0.solids = my_solid0 ic.bed0.packing = pseudo_random ic.bed0.my_solid0.volfrac = 0.275 ic.bed0.my_solid0.temperature = 400.0 ic.bed0.my_solid0.species.Fe2O3 = 0.4 ic.bed0.my_solid0.species.FeO = 0.6 ic.bed0.my_solid0.velocity = 0.00 0.00 0.00 ic.bed0.my_solid0.diameter = constant ic.bed0.my_solid0.diameter.constant = 100.0e-6 ic.bed.fluid.volfrac = 0.725 ic.bed.fluid.density = 1.0 ic.bed.fluid.velocity = 0.015 0.00 0.00 ic.bed.fluid.temperature = 383.0 ic.bed.fluid.species.H20 = 0.3 ic.bed.fluid.species.He = 0.2 ic.bed.fluid.species.O2 = 0.5 ic.bed0.my_solid0.density = constant ic.bed0.my_solid0.density.constant = 1000.0 ic.bed.solids = solid0 ic.bed.packing = pseudo_random ic.bed1.my_fluid.volfrac = 0.925 ic.bed1.my_fluid.density = 1.0 ic.bed1.my_fluid.velocity = 0.015 0.00 0.00 ic.bed1.my_fluid.temperature = 383.0 ic.bed1.my_fluid.species.CO = 0.5 ic.bed1.my_fluid.species.CO2 = 0.5 ic.bed1.my_fluid.species.O2 = 0.0 ic.bed.solid0.volfrac = 0.275 ic.bed.solid0.temperature = 400.0 ic.bed.solid0.species.C = 0.4 ic.bed.solid0.species.H20 = 0.6 ic.bed1.solids = my_solid1 ic.bed1.packing = pseudo_random ic.bed.solid0.velocity = 0.00 0.00 0.00 ic.bed1.my_solid1.volfrac = 0.075 ic.bed1.my_solid1.temperature = 450.0 ic.bed1.my_solid1.species.Fe2O3 = 0.0 ic.bed1.my_solid1.species.FeO = 1.0 ic.bed.solid0.diameter = constant ic.bed.solid0.diameter.constant = 100.0e-6 ic.bed1.my_solid1.velocity = 0.10 0.00 0.00 ic.bed.solid0.density = constant ic.bed.solid0.density.constant = 1000.0 ic.bed1.my_solid1.diameter = constant ic.bed1.my_solid1.diameter.constant = 110.0e-6 ic.bed1.my_solid1.density = constant ic.bed1.my_solid1.density.constant = 900.0 Boundary Conditions Loading Loading @@ -692,14 +712,13 @@ Below is an example for specifying boundary conditions for a fluid `myfluid`. bc.regions = inflow outflow bc.inflow = mi bc.inflow.myfluid.volfrac = 1.0 bc.inflow.myfluid.density = 1.0 bc.inflow.myfluid.velocity = 0.015 0.0 0.0 bc.inflow.myfluid.temperature = 300 bc.inflow.myfluid.species.O2 = 0.0 bc.inflow.myfluid.species.CO = 0.5 bc.inflow.myfluid.species.H2O = 0.0 bc.inflow.myfluid.species.He = 0.5 bc.inflow.my_fluid.volfrac = 1.0 bc.inflow.my_fluid.density = 1.0 bc.inflow.my_fluid.velocity = 0.015 0.0 0.0 bc.inflow.my_fluid.temperature = 300 bc.inflow.my_fluid.species.O2 = 0.0 bc.inflow.my_fluid.species.CO = 0.5 bc.inflow.my_fluid.species.CO2 = 0.5 bc.outflow = po bc.outflow.myfluid.pressure = 0.0 Loading @@ -718,13 +737,13 @@ by replacing: .. code-block:: none bc.inflow.myfluid.velocity = 0.0 0.0 0.0 0.0 bc.inflow.myfluid.velocity = 3.0 0.015 0.0 0.0 bc.inflow.myfluid.temperature = 0.0 300 bc.inflow.myfluid.temperature = 2.99 300 bc.inflow.myfluid.temperature = 3.0 500 bc.inflow.myfluid.temperature = 4.0 500 bc.inflow.myfluid.temperature = 4.01 300 bc.inflow.my_fluid.velocity = 0.0 0.0 0.0 0.0 bc.inflow.my_fluid.velocity = 3.0 0.015 0.0 0.0 bc.inflow.my_fluid.temperature = 0.0 300 bc.inflow.my_fluid.temperature = 2.99 300 bc.inflow.my_fluid.temperature = 3.0 500 bc.inflow.my_fluid.temperature = 4.0 500 bc.inflow.my_fluid.temperature = 4.01 300 In the above example, the inflow velocity is accelerated from zero to its final value over a period of three seconds. Linear interpolation is used in Loading Loading @@ -803,8 +822,8 @@ Below is an example for specifying a normal inflow velocity magnitude for a regi bc.eb-flow = eb bc.eb-flow.fluid.volfrac = 1.0 bc.eb-flow.fluid.velocity = 0.1 bc.eb-flow.my_fluid.volfrac = 1.0 bc.eb-flow.my_fluid.velocity = 0.1 Below is an example where only specific cells are imposed a velocity in the x-direction. Loading @@ -817,5 +836,5 @@ Below is an example where only specific cells are imposed a velocity in the x-di bc.eb-flow.eb.normal_tol = 3.0 bc.eb-flow.eb.normal = 0.9848 0.0000 0.1736 # 10 deg bc.eb-flow.fluid.volfrac = 1.0 bc.eb-flow.fluid.velocity = 0.1 0.0 0.0 bc.eb-flow.my_fluid.volfrac = 1.0 bc.eb-flow.my_fluid.velocity = 0.1 0.0 0.0
