refactor: Add component selector for fluid models (#3213)

* Add component selector * Add test cases * Fix integrated tests * Remove thermal test * Use integer sequence generator * Use constexpr if * thermal -> isThermalType
GEOS-DEV · Jul 24, 2024 · 692dd50 · 692dd50
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diff --git a/.integrated_tests.yaml b/.integrated_tests.yaml
@@ -1,6 +1,6 @@
 baselines:
   bucket: geosx
-  baseline: integratedTests/baseline_integratedTests-pr3194-6060-e5ba0ce
+  baseline: integratedTests/baseline_integratedTests-pr3213-6170-5c2c0bf
 
 allow_fail:
   all: ''

diff --git a/BASELINE_NOTES.md b/BASELINE_NOTES.md
@@ -6,6 +6,11 @@ This file is designed to track changes to the integrated test baselines.
 Any developer who updates the baseline ID in the .integrated_tests.yaml file is expected to create an entry in this file with the pull request number, date, and their justification for rebaselining.
 These notes should be in reverse-chronological order, and use the following time format: (YYYY-MM-DD).
 
+PR #3213 (2024-07-12)
+======================
+Added baselines for new tests on Dirichlet boundary conditions for multiphase flow.
+
+
 PR #3194 (2024-07-10)
 ======================
 Use aperture table in poromechanics with conforming fractures. Rebaseline the corresponding cases.

diff --git a/inputFiles/compositionalMultiphaseFlow/co2_flux_dirichlet.xml b/inputFiles/compositionalMultiphaseFlow/co2_flux_dirichlet.xml
@@ -0,0 +1,227 @@
+<?xml version="1.0" ?>
+
+<Problem>
+  <Solvers>
+    <CompositionalMultiphaseFVM
+      name="compflow"
+      logLevel="1"
+      discretization="fluidTPFA"
+      temperature="368.15"
+      useMass="1"
+      targetRegions="{ region }">
+      <NonlinearSolverParameters
+        newtonTol="1.0e-4"
+        newtonMaxIter="100"
+        maxTimeStepCuts="5"
+        lineSearchAction="None"/>
+      <LinearSolverParameters
+        solverType="fgmres"
+        preconditionerType="mgr"
+        krylovTol="1.0e-5"/>
+    </CompositionalMultiphaseFVM>
+  </Solvers>
+
+  <Mesh>
+    <InternalMesh
+      name="mesh"
+      elementTypes="{ C3D8 }"
+      xCoords="{ 0, 50.0 }"
+      yCoords="{ -0.5, 0.5 }"
+      zCoords="{ 0, 15.0 }"
+      nx="{ 50 }"
+      ny="{ 1 }"
+      nz="{ 15 }"
+      cellBlockNames="{ cellBlock }"/>
+  </Mesh>
+
+  <Geometry>
+    <Box
+      name="source"
+      xMin="{ -0.01, -0.51, 6.99 }"
+      xMax="{  1.01,  0.51, 8.01 }"/>
+
+    <Box
+      name="rightEnd"
+      xMin="{ 49.99, -0.51, -0.01 }"
+      xMax="{ 50.01,  0.51, 15.01 }"/>
+  </Geometry>
+
+  <Events
+    maxTime="1e6">
+    <PeriodicEvent
+      name="solverApplications"
+      maxEventDt="5e4"
+      target="/Solvers/compflow" />
+
+    <PeriodicEvent
+      name="statistics"
+      timeFrequency="1e5"
+      targetExactTimestep="1"
+      target="/Tasks/compflowStatistics" />
+
+    <PeriodicEvent
+      name="outputs"
+      timeFrequency="1e5"
+      targetExactTimestep="1"
+      target="/Outputs/vtkOutput" />
+
+    <PeriodicEvent
+      name="restarts"
+      timeFrequency="5e5"
+      targetExactTimestep="0"
+      target="/Outputs/sidreRestart"/>
+  </Events>
+
+  <NumericalMethods>
+    <FiniteVolume>
+      <TwoPointFluxApproximation
+        name="fluidTPFA"/>
+    </FiniteVolume>
+  </NumericalMethods>
+
+  <ElementRegions>
+    <CellElementRegion
+      name="region"
+      cellBlocks="{ cellBlock }"
+      materialList="{ fluid, rock, relperm }"/>
+  </ElementRegions>
+
+  <Constitutive>
+    <CO2BrinePhillipsFluid
+      name="fluid"
+      logLevel="1"
+      phaseNames="{ gas, water }"
+      componentNames="{ co2, water }"
+      componentMolarWeight="{ 44e-3, 18e-3 }"
+      phasePVTParaFiles="{ pvtgas.txt, pvtliquid.txt }"
+      flashModelParaFile="co2flash.txt"/>
+
+    <CompressibleSolidConstantPermeability
+      name="rock"
+      solidModelName="nullSolid"
+      porosityModelName="rockPorosity"
+      permeabilityModelName="rockPerm"/>
+    <NullModel
+      name="nullSolid"/>
+    <PressurePorosity
+      name="rockPorosity"
+      defaultReferencePorosity="0.2"
+      referencePressure="1.1e7"
+      compressibility="1.0e-9" />
+    <ConstantPermeability
+      name="rockPerm"
+      permeabilityComponents="{ 1.0e-13, 1.0e-13, 1.0e-14 }"/>
+
+    <TableRelativePermeability
+      name="relperm"
+      phaseNames="{ gas, water }"
+      wettingNonWettingRelPermTableNames="{ waterRelativePermeabilityTable,
+                                            gasRelativePermeabilityTable }"/>
+  </Constitutive>
+
+  <FieldSpecifications>
+    <!-- Initial conditions  -->
+    <FieldSpecification
+      name="initial_pressure"
+      setNames="{ all }"
+      objectPath="ElementRegions/region"
+      fieldName="pressure"
+      initialCondition="1"
+      logLevel="2"
+      scale="1.1e6" />
+    <FieldSpecification
+      name="initial_temperature"
+      setNames="{ all }"
+      objectPath="ElementRegions/region"
+      fieldName="temperature"
+      initialCondition="1"
+      scale="368.15" />
+    <FieldSpecification
+      name="initial_co2"
+      setNames="{ all }"
+      objectPath="ElementRegions/region"
+      fieldName="globalCompFraction"
+      initialCondition="1"
+      component="0"
+      scale="0.0" />
+    <FieldSpecification
+      name="initial_h2o"
+      setNames="{ all }"
+      objectPath="ElementRegions/region"
+      fieldName="globalCompFraction"
+      initialCondition="1"
+      component="1"
+      scale="1.0" />
+
+    <!-- Injection rate: 0.002 kg/s -->
+    <SourceFlux
+      name="sourceTerm"
+      objectPath="ElementRegions/region/cellBlock"
+      component="0"
+      scale="-0.002"
+      setNames="{ source }"/>
+
+    <!-- Boundary conditions at right end  -->
+    <FieldSpecification
+      name="sinkTerm_pressure"
+      setNames="{ rightEnd }"
+      objectPath="faceManager"
+      fieldName="pressure"
+      scale="1.1e6" />
+    <FieldSpecification
+      name="sinkTerm_temperature"
+      setNames="{ rightEnd }"
+      objectPath="faceManager"
+      fieldName="temperature"
+      scale="368.15" />
+    <FieldSpecification
+      name="sinkTerm_co2"
+      setNames="{ rightEnd }"
+      objectPath="faceManager"
+      fieldName="globalCompFraction"
+      component="0"
+      scale="0.0" />
+    <FieldSpecification
+      name="sinkTerm_h2o"
+      setNames="{ rightEnd }"
+      objectPath="faceManager"
+      fieldName="globalCompFraction"
+      component="1"
+      scale="1.0" />
+
+  </FieldSpecifications>
+
+  <Tasks>
+
+    <CompositionalMultiphaseStatistics
+      name="compflowStatistics"
+      flowSolverName="compflow"
+      logLevel="1"
+      writeCSV="1"
+      computeCFLNumbers="1"
+      computeRegionStatistics="1"/>
+
+  </Tasks>
+
+  <Functions>
+    <TableFunction
+      name="waterRelativePermeabilityTable"
+      coordinateFiles="{ phaseVolFraction_water.txt }"
+      voxelFile="relPerm_water.txt"/>
+
+    <TableFunction
+      name="gasRelativePermeabilityTable"
+      coordinateFiles="{ phaseVolFraction_gas.txt }"
+      voxelFile="relPerm_gas.txt"/>       
+  </Functions>      
+
+  <Outputs>
+    <VTK
+      name="vtkOutput"
+      plotFileRoot="co2_flux_dirichlet"/>
+
+    <Restart
+      name="sidreRestart"/>
+  </Outputs>
+
+</Problem>
diff --git a/inputFiles/compositionalMultiphaseFlow/compositionalMultiphaseFlow.ats b/inputFiles/compositionalMultiphaseFlow/compositionalMultiphaseFlow.ats
@@ -93,6 +93,14 @@ decks = [
         restart_step=10,
         check_step=20,
         restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="co2_flux_dirichlet",
+        description=
+        "Compositional co2-brine flow test (2D co2 injection, 2-phase co2-brine, Table 2-phase relperm curves, Dirichlet boundary)",
+        partitions=((1, 1, 1), (2, 1, 3)),
+        restart_step=23,
+        check_step=46,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
     TestDeck(
         name="deadoil_3ph_staircase_obl_3d",
         description=

diff --git a/src/coreComponents/common/TypeDispatch.hpp b/src/coreComponents/common/TypeDispatch.hpp
@@ -154,6 +154,12 @@ using Increment = typename IncrementImpl< T, N >::type;
 
 } // namespace internal
 
+/**
+ * @brief Generate a sequence of integers from @p Begin up to (and including) @p End.
+ */
+template< integer Begin, integer End >
+using IntegerSequence = internal::Increment< camp::make_idx_seq_t< End - Begin + 1 >, Begin >;
+
 /**
  * @brief Construct a list of types.
  */
@@ -190,10 +196,10 @@ using IntegralTypes = TypeList< integer, localIndex, globalIndex >;
 using RealTypes = TypeList< real32, real64 >;
 
 /**
- * @brief Generate a list of types representing array dimensionalities from M up to (and including) @p N.
+ * @brief Generate a list of types representing array dimensionalities from @p M up to (and including) @p N.
  */
 template< int M, int N >
-using DimsRange = camp::as_list< internal::Increment< camp::make_idx_seq_t< N - M + 1 >, M > >;
+using DimsRange = camp::as_list< IntegerSequence< M, N > >;
 
 /**
  * @brief Generate a list of types representing array dimensionality exactly @p N.

diff --git a/src/coreComponents/constitutive/fluid/multifluid/CO2Brine/CO2BrineFluid.cpp b/src/coreComponents/constitutive/fluid/multifluid/CO2Brine/CO2BrineFluid.cpp
@@ -115,14 +115,6 @@ CO2BrineFluid( string const & name, Group * const parent ):
   }
 }
 
-template< typename PHASE1, typename PHASE2, typename FLASH >
-bool CO2BrineFluid< PHASE1, PHASE2, FLASH >::isThermal() const
-{
-  return ( PHASE1::Enthalpy::catalogName() != PVTProps::NoOpPVTFunction::catalogName() &&
-           PHASE2::Enthalpy::catalogName() != PVTProps::NoOpPVTFunction::catalogName() );
-}
-
-
 template< typename PHASE1, typename PHASE2, typename FLASH >
 std::unique_ptr< ConstitutiveBase >
 CO2BrineFluid< PHASE1, PHASE2, FLASH >::

diff --git a/src/coreComponents/constitutive/fluid/multifluid/CO2Brine/CO2BrineFluid.hpp b/src/coreComponents/constitutive/fluid/multifluid/CO2Brine/CO2BrineFluid.hpp
@@ -63,7 +63,19 @@ class CO2BrineFluid : public MultiFluidBase
 
   virtual string getCatalogName() const override { return catalogName(); }
 
-  virtual bool isThermal() const override;
+  static constexpr bool isThermalType()
+  {
+    return !( std::is_same_v< typename PHASE1::Enthalpy, PVTProps::NoOpPVTFunction > ||
+              std::is_same_v< typename PHASE2::Enthalpy, PVTProps::NoOpPVTFunction > );
+  }
+
+  static constexpr integer min_n_components = 2;
+  static constexpr integer max_n_components = 2;
+
+  virtual bool isThermal() const override
+  {
+    return isThermalType();
+  }
 
   /**
    * @brief Kernel wrapper class for CO2BrineFluid.

diff --git a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidBase.hpp b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidBase.hpp
@@ -57,6 +57,20 @@ class MultiFluidBase : public ConstitutiveBase
    */
   static constexpr integer MAX_NUM_PHASES = MultiFluidConstants::MAX_NUM_PHASES;
 
+  /**
+   * @brief Minimum supported number of fluid components (species) for dispatch
+   * @note This is the mininum number of components that can be used for dispatch in a kernel launch specific for
+   *       this fluid type.
+   */
+  static constexpr integer min_n_components = 2;
+
+  /**
+   * @brief Maximum supported number of fluid components (species) for dispatch
+   * @note This is the maxinum number of components that can be used for dispatch in a kernel launch specific for
+   *       this fluid type.
+   */
+  static constexpr integer max_n_components = 5;
+
   /**
    * @return number of fluid components (species) in the model
    */