Merge pull request #87 from NREL/bsd_cal_tut

Readable and labelled figures for the doc+ inverse model case upload

bird/version.py

@@ -1,3 +1,3 @@
 """Bio reactor design version"""
 
-__version__ = "0.0.15"
+__version__ = "0.0.16"

docs/source/calibration_bsd.rst

@@ -53,7 +53,7 @@ Generate the target data by running
 
 This creates a folder ``data/`` with the file ``target_n_3_br_0.5_cr_0.5.npz`` and ``target_n_2_br_1.6_cr_2.0.npz``
 
-The numerical model is always a binary breakup and coalescence model with adjustable breakup and coalescence rate. To avoid breakup or coalescence runaway, we ensure that breakup rate is close to the coalescence rate. Specifically, the coalescence rate `Cr` varies in the interval `[0.02, 2]`. A breakup rate factor `Bf` varies in the interval [`0.8, 1.1]` and the breakup rate `Br = Bf Cr`. This ensures that the breakup rate and coalescence rate are close to one another, thereby avoiding breakup and coalescence runaway.
+The numerical model is always a binary breakup and coalescence model with adjustable breakup and coalescence rate. To avoid breakup or coalescence runaway, we ensure that breakup rate is close to the coalescence rate. Specifically, the coalescence rate `Cr` varies in the interval `[0.02, 2]`. A breakup rate factor `Bf` varies in the interval `[0.8, 1.1]` and the breakup rate `Br = Bf Cr`. This ensures that the breakup rate and coalescence rate are close to one another, thereby avoiding breakup and coalescence runaway.
 
 Each simulation (target and from the numerical model) uses a timeste `dt = 0.01s` and the simulations are run for 150s to reach statistical stationarity and allow for sufficient averaging of the BSD. Since each forward simulation is expensive (~30s on a M1 Mac), a surrogate needs to be constructed.
 

fixFormat.sh

@@ -1,10 +1,4 @@
 source .github/linters/formatting.sh
 
 format .
-#blockCyclindricalMeshing
-#format inhomogeneousBC
-#format spiderSparger 
-#format conditionalMean
-#format computeQoI
-#format process_geom
 

papers/co2_model/cases/breakup_17_mesh1_opt/IC/0/CO2.gas

@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  9
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    format      ascii;
+    class       volScalarField;
+    object      CO2.gas;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+dimensions      [0 0 0 0 0 0 0];
+
+internalField   uniform 0.0;
+
+#include "${FOAM_CASE}/constant/globalVars"
+
+boundaryField
+{
+    #includeEtc "caseDicts/setConstraintTypes"
+
+    inlet
+    {
+        type            fixedValue;
+        value           uniform $f_CO2;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    walls
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

papers/co2_model/cases/breakup_17_mesh1_opt/IC/0/CO2.liquid

@@ -0,0 +1,41 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  9
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    format      ascii;
+    class       volScalarField;
+    object      CO2.liquid;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 0 0 0 0];
+
+internalField   uniform 0.0;
+
+boundaryField
+{
+    #includeEtc "caseDicts/setConstraintTypes"
+
+    inlet
+    {
+        type            fixedValue;
+        value           $internalField;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    walls
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

papers/co2_model/cases/breakup_17_mesh1_opt/IC/0/N2.gas

@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  9
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    format      ascii;
+    class       volScalarField;
+    object      N2.gas;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+dimensions      [0 0 0 0 0 0 0];
+
+internalField   uniform 1.0;
+
+#include "${FOAM_CASE}/constant/globalVars"
+
+boundaryField
+{
+    #includeEtc "caseDicts/setConstraintTypes"
+
+    inlet
+    {
+        type            fixedValue;
+        value           uniform $f_N2;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    walls
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

papers/co2_model/cases/breakup_17_mesh1_opt/IC/0/T.gas

@@ -0,0 +1,41 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  9
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    format      ascii;
+    class       volScalarField;
+    object      T.gas;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 1 0 0 0];
+
+internalField   uniform 273.15;
+
+boundaryField
+{
+    #includeEtc "caseDicts/setConstraintTypes"
+
+    inlet
+    {
+        type            fixedValue;
+        value           $internalField;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    walls
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

papers/co2_model/cases/breakup_17_mesh1_opt/IC/0/T.liquid

@@ -0,0 +1,41 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  9
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    format      ascii;
+    class       volScalarField;
+    object      T.liquid;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 1 0 0 0];
+
+internalField   uniform 287.15;
+
+boundaryField
+{
+    #includeEtc "caseDicts/setConstraintTypes"
+
+    inlet
+    {
+        type            fixedValue;
+        value           $internalField;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    walls
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

papers/co2_model/cases/breakup_17_mesh1_opt/IC/0/U.gas

@@ -0,0 +1,49 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  9
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    format      ascii;
+    class       volVectorField;
+    object      U.gas;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (0 0 0);
+
+#include "${FOAM_CASE}/constant/globalVars"
+
+boundaryField
+{
+    #includeEtc "caseDicts/setConstraintTypes"
+
+    inlet
+    {
+        //type            flowRateInletVelocity;
+        //massFlowRate    $mflowRateGas;
+        //rho             thermo:rho.gas;
+        //value           $internalField;
+        type            fixedValue;
+        value           uniform (0 $uGasPhase 0); 
+    }
+
+    outlet
+    {
+        type            pressureInletOutletVelocity;
+        phi             phi.gas;
+        value           $internalField;
+    }
+
+    walls
+    {
+        type            slip;
+    }
+}
+
+// ************************************************************************* //

papers/co2_model/cases/breakup_17_mesh1_opt/IC/0/U.liquid

@@ -0,0 +1,49 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  9
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version         2;
+    format          ascii;
+    class           volVectorField;
+    object          U.liquid;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+#include "${FOAM_CASE}/constant/globalVars"
+
+internalField   uniform (0 $uLiqPhase 0);
+
+boundaryField
+{
+    #includeEtc "caseDicts/setConstraintTypes"
+
+    inlet
+    {
+        //type            flowRateInletVelocity;
+        //massFlowRate    $mflowRateLiq;
+        //rho             thermo:rho.liquid;
+        //value           $internalField;
+        type            fixedValue;
+        value           uniform (0 $uLiqPhase 0);
+    }
+    outlet
+    {
+        type            pressureInletOutletVelocity;
+        phi             phi.liquid;
+        value           $internalField;
+    }
+    walls
+    {
+        type            noSlip;
+    }
+}
+
+
+// ************************************************************************* //

papers/co2_model/cases/breakup_17_mesh1_opt/IC/0/Ydefault.gas

@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  9
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    format      ascii;
+    class       volScalarField;
+    object      Ydefault.gas;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 0 0 0 0];
+
+internalField   uniform 0.0;
+
+boundaryField
+{
+    #includeEtc "caseDicts/setConstraintTypes"
+
+    inlet
+    {
+        type            fixedValue;
+        value           uniform 0.0;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+
+    walls
+    {
+        type            zeroGradient;
+    }
+}
+
+
+// ************************************************************************* //