[WIP] Two-phase tabulation for NICFD

.github/workflows/regression.yml

@@ -18,18 +18,18 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Pre Cleanup
-        uses: docker://ghcr.io/su2code/su2_dataminer_test
+        uses: docker://ghcr.io/su2code/su2_dataminer_test:v2
         with:
           entrypoint: /bin/rm 
           args: -rf src/
 
       - name: Run regression tests
-        uses: docker://ghcr.io/su2code/su2_dataminer_test
+        uses: docker://ghcr.io/su2code/su2_dataminer_test:v2
         with:
           args: -b ${{ github.ref }} -s run_regression.py
 
       - name: Post Cleanup
-        uses: docker://ghcr.io/su2code/su2_dataminer_test
+        uses: docker://ghcr.io/su2code/su2_dataminer_test:v2
         with:
           entrypoint: /bin/rm 
           args: -rf src/
@@ -39,18 +39,18 @@ jobs:
     runs-on: ubuntu-latest 
     steps:
       - name: Pre Cleanup
-        uses: docker://ghcr.io/su2code/su2_dataminer_test
+        uses: docker://ghcr.io/su2code/su2_dataminer_test:v2
         with:
           entrypoint: /bin/rm 
           args: -rf src/
 
       - name: MLPCpp integration tests
-        uses: docker://ghcr.io/su2code/su2_dataminer_test
+        uses: docker://ghcr.io/su2code/su2_dataminer_test:v2
         with:
           args: -b ${{ github.ref }} -s MLPCpp_tests.py -m main
 
       - name: Post Cleanup
-        uses: docker://ghcr.io/su2code/su2_dataminer_test
+        uses: docker://ghcr.io/su2code/su2_dataminer_test:v2
         with:
           entrypoint: /bin/rm 
           args: -rf src/

Common/DataDrivenConfig.py

@@ -57,6 +57,17 @@ class Config_NICFD(Config):
     # Fluid definition settings
     __fluid_names:list[str] = ["MM"]                    # List of fluid names used for data generation.
     __fluid_string:str="MM"                             # Fluid string for defining the abstract state in CoolProp
+
+    __calc_transport_properties:bool = False
+    __viscosity_model:str = DefaultSettings_NICFD.viscosity_model
+    __conductivity_model:str = DefaultSettings_NICFD.conductivity_model
+
+    # Phases to include in fluid data.
+    __gasphase:bool = True
+    __twophase:bool = False 
+    __liquidphase:bool = False 
+    __supercritical:bool = True 
+
     __EOS_type:str=DefaultSettings_NICFD.EOS_type       # Equation of state used by CoolProp
     __fluid_mole_fractions:list[float] = [1.0]          # Mole fractions for components in fluid mixture.
     __use_PT:bool = DefaultSettings_NICFD.use_PT_grid   # Use a pressure-temperature based grid for fluid training data.
@@ -78,7 +89,7 @@ class Config_NICFD(Config):
     _state_vars:list[str] = ["s", "T","p","c2"]  # State variable names for which the physics-informed MLP is trained.
 
     # Table Generation Settings
-
+    __Table_discretization:str = DefaultSettings_NICFD.tabulation_method
     __Table_base_cell_size:float = None     # Table base cell size per table level.
     __Table_ref_cell_size:float = None      # Refined cell size per table level.
     __Table_ref_radius:float = None         # Refinement radius within which refined cell size is applied.
@@ -151,6 +162,15 @@ def PrintBanner(self):
                 print("Density range: %.2f kg/m3 -> %.2f kg/m3 (%i steps)" % (self.__Rho_lower, self.__Rho_upper, self.__Np_P))
         print("")
         print("State variables considered during physics-informed learning: "+", ".join((v for v in self._state_vars)))
+
+        if self.__twophase:
+            print("Including two-phase fluid data.")
+        if self.__calc_transport_properties:
+            print("Including transport properties in fluid data.")
+            if self.__twophase:
+                print("Two-phase conductivity model: %s" % self.__conductivity_model)
+                print("Two-phase viscosity model: %s" % self.__viscosity_model)
+
         return 
 
 
@@ -208,6 +228,137 @@ def SetEquationOfState(self, EOS_type_in:str=DefaultSettings_NICFD.EOS_type):
         self.__EOS_type=EOS_type_in.upper()
         return
 
+    def IncludeTransportProperties(self, calc_transport_properties:bool=False):
+        """Include transport properties in fluid data calculation
+
+        :param calc_transport_properties: evaluate transport properties, defaults to False
+        :type calc_transport_properties: bool, optional
+        """
+        self.__calc_transport_properties = calc_transport_properties
+        return 
+
+    def CalcTransportProperties(self):
+        """Whether transport properties are included in the fluid data set.
+
+        :return: calculation of transport properties.
+        :rtype: bool
+        """
+        return self.__calc_transport_properties 
+
+    def SetConductivityModel(self, conductivity_model:str=DefaultSettings_NICFD.conductivity_model):
+        """Specify the two-phase conductivity model.
+
+        :param conductivity_model: two-phase conductivity model option, defaults to "volume"
+        :type conductivity_model: str, optional
+        :raises Exception: if the specified option is not supported.
+        """
+        if conductivity_model not in DefaultSettings_NICFD.conductivity_models:
+            raise Exception("Two-phase conductivity model should be one of the following: " + ",".join(c for c in DefaultSettings_NICFD.conductivity_models))
+        self.__conductivity_model = conductivity_model
+        if not self.TwoPhase():
+            self.EnableTwophase(True)
+            print("Two-phase conductivity model specified, including two-phase fluid data.")
+        return 
+
+    def GetConductivityModel(self):
+        """Get two-phase conductivity model.
+
+        :return: two-phase conductivity model option
+        :rtype: str
+        """
+        return self.__conductivity_model
+
+    def SetViscosityModel(self, viscosity_model:str=DefaultSettings_NICFD.viscosity_model):
+        """Specify the two-phase viscosity model.
+
+        :param viscosity_model: two-phase viscosity model option, defaults to "mcadams"
+        :type viscosity_model: str, optional
+        :raises Exception: if the specified option is not supported.
+        """
+        if viscosity_model not in DefaultSettings_NICFD.viscosity_models:
+            raise Exception("Two-phase viscosity model should be one of the following: " + ",".join(c for c in DefaultSettings_NICFD.viscosity_models))
+        self.__viscosity_model = viscosity_model
+        if not self.TwoPhase():
+            self.EnableTwophase(True)
+            print("Two-phase viscosity model specified, including two-phase fluid data.")
+        return 
+
+    def GetViscosityModel(self):
+        """Get two-phase viscosity model.
+
+        :return: two-phase viscosity model option
+        :rtype: str
+        """
+        return self.__viscosity_model
+
+    def EnableGasPhase(self, gas_phase:bool=True):
+        """Include thermophysical state data from the fluid in gas phase
+
+        :param gas_phase: include gas phase data, defaults to True
+        :type gas_phase: bool, optional
+        """
+        self.__gasphase = gas_phase
+        return 
+
+    def GasPhase(self):
+        """Whether thermophysical state data from the fluid in the gaseous phase are included.
+
+        :return: inclusion of gas phase data.
+        :rtype: bool
+        """
+        return self.__gasphase 
+
+    def EnableSuperCritical(self, supercritical:bool=True):
+        """Include thermophysical state data of the fluid in supercritial, and of the supercritical gas and liquid phase if specified.
+
+        :param supercritical: include supercritical phase data, defaults to True
+        :type supercritical: bool, optional
+        """
+        self.__supercritical = supercritical
+        return 
+
+    def EnableTwophase(self, two_phase:bool=False):
+        """Include two-phase thermophysical data of the fluid.
+
+        :param two_phase: include two-phase data in fluid data, defaults to False
+        :type two_phase: bool, optional
+        """
+        self.__twophase = two_phase 
+        return 
+
+    def EnableLiquidPhase(self, liquid_phase:bool=False):
+        """Include thermodynamic state data from fluid in the liquid phase.
+
+        :param liquid_phase: include liquid-phase data, defaults to False
+        :type liquid_phase: bool, optional
+        """
+        self.__liquidphase = liquid_phase
+        return 
+
+    def TwoPhase(self):
+        """Whether thermophysical state data from the fluid in the two-phase are included.
+
+        :return: inclusion of two-phase data.
+        :rtype: bool
+        """
+        return self.__twophase
+
+    def LiquidPhase(self):
+        """Whether thermophysical state data from the fluid in the liquid phase are included.
+
+        :return: inclusion of liquid phase data.
+        :rtype: bool
+        """
+        return self.__liquidphase
+
+    def SuperCritical(self):
+        """Whether thermophysical state data from the fluid in the supercritical phases are included.
+
+        :return: inclusion of supercritical phase data.
+        :rtype: bool
+        """
+        return self.__supercritical 
+
     def GetEquationOfState(self):
         """Retrieve the equation of state backend used by CoolProp for fluid data calculations.
 
@@ -262,9 +413,9 @@ def UseAutoRange(self, use_auto_range:bool=True):
         return 
 
     def GetAutoRange(self):
-        """Whether fluid data ranges are automatically determined by CoolProp
+        """The span of the thermodynamic state space is determined automatically.
 
-        :return: boolean if range is automatically determined
+        :return: whether automatic ranging is used.
         :rtype: bool
         """
         return self.__use_auto_range 
@@ -358,9 +509,9 @@ def GetNpEnergy(self):
     def SetDensityBounds(self, Rho_lower:float=DefaultSettings_NICFD.Rho_min, Rho_upper:float=DefaultSettings_NICFD.Rho_max):
         """Define the density bounds of the density-energy based fluid data grid.
 
-        :param Rho_lower: lower limit density value in kg/m3, defaults to DefaultSettings_NICFD.Rho_min
+        :param Rho_lower: lower limit density value, defaults to DefaultSettings_NICFD.Rho_min
         :type Rho_lower: float, optional
-        :param Rho_upper: upper limit for density in kg/m3, defaults to DefaultSettings_NICFD.Rho_max
+        :param Rho_upper: upper limit for density, defaults to DefaultSettings_NICFD.Rho_max
         :type Rho_upper: float, optional
         :raises Exception: if lower value for density exceeds upper value.
         """
@@ -489,6 +640,26 @@ def GetNpPressure(self):
         """
         return self.__Np_P
 
+    def SetTableDiscretization(self, table_method:str=DefaultSettings_NICFD.tabulation_method):
+        """Specify how thermodynamic state space is discretized for look-up table.
+
+        :param table_method: discretization method, defaults to "cartesian"
+        :type table_method: str, optional
+        :raises Exception: if method is not supported
+        """
+        if table_method not in DefaultSettings_NICFD.tabulation_options:
+            raise Exception("Table discretization method should be one of the following: %s" % ",".join(t for t in DefaultSettings_NICFD.tabulation_options))
+        self.__Table_discretization = table_method
+        return 
+
+    def GetTableDiscretization(self):
+        """Get thermodynamic state space discretization method.
+
+        :return: table discretization method.
+        :rtype: str
+        """
+        return self.__Table_discretization
+
     def SetTableCellSize(self, base_cell_size:float, refined_cell_size:float=None):
         """Define the base and optional refined 2D table cell sizes.
 
@@ -1019,10 +1190,11 @@ def SetReactionMechanism(self, mechanism_input:str=DefaultSettings_FGM.reaction_
         return 
 
     def GetReactionMechanism(self):
-        """Get the reaction mechanism used for flamelet generation.
-
+        """
+        Get the reaction mechanism used for flamelet generation.
         :return: reaction mechanism name.
         :rtype: str
+
         """
         return self.__reaction_mechanism
 
@@ -1079,10 +1251,11 @@ def SetMixtureBounds(self, mix_lower:float=DefaultSettings_FGM.eq_ratio_min, mix
         return 
 
     def GetMixtureBounds(self):
-        """Get the mixture status bounds.
-
+        """
+        Get the mixture status bounds.
         :return: List containing lower and upper mixture status values.
         :rtype: list[float]
+
         """
         return [self.__mix_status_lower, self.__mix_status_upper]
 
@@ -1102,7 +1275,8 @@ def SetNpMix(self, input:int=DefaultSettings_FGM.Np_eq):
         return 
 
     def GetNpMix(self):
-        """Get the number of divisions between the lean and rich mixture status for flamelet generation.
+        """
+        Get the number of divisions between the lean and rich mixture status for flamelet generation.
 
         :return: number of divisions between rich and lean.
         :rtype: int
@@ -1381,8 +1555,8 @@ def SetPassiveSpecies(self, passive_species:list[str]=[]):
         """
         Set the passive transported species for which source terms should be saved in the manifold.
 
-        :param passive_species: list of species names.
-        :type passive_species: list[str]
+        :param __passive_species: list of species names.
+        :type __passive_species: list[str]
         """
         self.__passive_species = passive_species
         return 

Common/Properties.py

@@ -65,6 +65,11 @@ class EntropicVars(Enum):
     dsdp_rho=auto()
     dsdrho_p=auto()
     cp=auto()
+    cv=auto()
+    Enthalpy=auto()
+    Conductivity=auto()
+    ViscosityDyn=auto()
+    VaporQuality=auto()
     N_STATE_VARS=auto()
 
 class FGMVars(Enum):
@@ -137,6 +142,11 @@ class DefaultSettings_NICFD(DefaultProperties):
 
     fluid_name:str = "Air"
     EOS_type:str = "HEOS"
+    conductivity_models:list[str] = ["volume", "mass"]
+    viscosity_models:list[str] = ["mcadams", "cicchitti", "dukler"]
+    conductivity_model:str = "volume"
+    viscosity_model:str = "mcadams"
+
     use_PT_grid:bool = False 
 
     controlling_variables:list[str] = [EntropicVars.Density.name, \
@@ -152,6 +162,9 @@ class DefaultSettings_NICFD(DefaultProperties):
     config_type:str = "EntropicAI"
     supported_state_vars:list[str] = ["s","T","p","c2","dTdrho_e","dTde_rho","dpdrho_e","dpde_rho"]
     supported_backends:list[str] = ["HEOS","PR", "SRK", "IF97","REFPROP"]
+
+    tabulation_options:list[str] = ["cartesian","adaptive"]
+    tabulation_method:str="cartesian"
 
 class DefaultSettings_FGM(DefaultProperties):
     config_name:str = "config_FGM"
@@ -213,4 +226,5 @@ class DefaultSettings_FGM(DefaultProperties):
                              "exponential" : tf.keras.activations.exponential,\
                              "gelu" : tf.keras.activations.gelu,\
                              "sigmoid" : tf.keras.activations.sigmoid,\
-                             "swish" : tf.keras.activations.swish}
+                             "swish" : tf.keras.activations.swish}
+