Enable RO0D to be dynamic

.github/workflows/checks.yml

@@ -120,7 +120,7 @@ jobs:
         pip show idaes-pse
         echo '::endgroup::'
         echo '::group::Output of "idaes get-extensions" command'
-        idaes get-extensions --verbose
+        idaes get-extensions --extra petsc --verbose
         echo '::endgroup::'
     - name: Add coverage report pytest options
       if: matrix.coverage

setup.py

@@ -28,7 +28,7 @@
     # update with a tag from the nawi-hub/idaes-pse
     # when a version of IDAES newer than the latest stable release from PyPI
     # will become needed for the watertap development
-    "idaes-pse==2.5.0",
+    "idaes-pse @ git+https://github.com/IDAES/idaes-pse@dynamic_cv0d",
 ]
 
 # Arguments marked as "Required" below must be included for upload to PyPI.

watertap/core/membrane_channel_base.py

@@ -108,7 +108,7 @@ class FrictionFactor(Enum):
     "dynamic",
     ConfigValue(
         default=False,
-        domain=In([False]),
+        domain=Bool,
         description="Dynamic model flag - must be False",
         doc="""Indicates whether this model will be dynamic or not.
 **default** - False. Membrane units do not yet support dynamic
@@ -120,7 +120,7 @@ class FrictionFactor(Enum):
     "has_holdup",
     ConfigValue(
         default=False,
-        domain=In([False]),
+        domain=Bool,
         description="Holdup construction flag - must be False",
         doc="""Indicates whether holdup terms should be constructed or not.
 **default** - False. Membrane units do not have defined volume, thus
@@ -1011,7 +1011,17 @@ def calculate_scaling_factors(self):
 
 # helper for validating configuration arguments for this CV
 def validate_membrane_config_args(unit):
-
+    if unit.config.dynamic and unit.config.has_holdup:
+        if not (
+            (unit.config.pressure_change_type != PressureChangeType.fixed_per_stage)
+            or (
+                unit.config.mass_transfer_coefficient
+                == MassTransferCoefficient.calculated
+            )
+        ):
+            raise ConfigurationError(
+                f"dynamics=True and has_holdup=True will not work while pressure_change_type={unit.config.pressure_change_type} and mass_tranfer_coefficient={unit.config.mass_transfer_coefficient}\n. To enable dynamics, choose any other configuration option for pressure_change_type or mass_transfer_coefficient."
+            )
     if (
         unit.config.pressure_change_type is not PressureChangeType.fixed_per_stage
         and unit.config.has_pressure_change is False

watertap/property_models/NaCl_prop_pack.py

@@ -99,6 +99,14 @@ def build(self):
             doc="Molecular weight kg/mol",
         )
 
+        # Density of water at 25 C
+        self.dens_mass_solvent = Var(
+            within=Reals,
+            initialize=997,
+            units=pyunits.kg / pyunits.m**3,
+            doc="Mass density of water",
+        )
+
         # mass density parameters, eq 4 in Bartholomew
         dens_mass_param_dict = {"0": 995, "1": 756}
         self.dens_mass_param = Var(
@@ -226,7 +234,7 @@ def fix_initialization_states(self):
         # Constraint on water concentration at outlet - unfix in these cases
         for b in self.values():
             if b.config.defined_state is False:
-                b.conc_mol_comp["H2O"].unfix()
+                b.flow_mass_phase_comp["Liq", "H2O"].unfix()
 
     def initialize(
         self,
@@ -491,7 +499,7 @@ def build(self):
         )
 
     # -----------------------------------------------------------------------------
-    # Property Methods
+    # On-demand Property Methods
     def _mass_frac_phase_comp(self):
         self.mass_frac_phase_comp = Var(
             self.params.phase_list,
@@ -788,11 +796,16 @@ def get_enthalpy_flow_terms(self, p):
         return self.enth_flow
 
     # TODO: make property package compatible with dynamics
-    # def get_material_density_terms(self, p, j):
-    #     """Create material density terms."""
-
-    # def get_enthalpy_density_terms(self, p):
-    #     """Create enthalpy density terms."""
+    def get_material_density_terms(self, p, j):
+        """Create material density terms."""
+        if j == "H2O":
+            return self.params.dens_mass_solvent
+        else:
+            return self.conc_mass_phase_comp[p, j]
+
+    def get_energy_density_terms(self, p):
+        """Create enthalpy density terms."""
+        return self.enth_mass_phase[p] * self.dens_mass_phase[p]
 
     def default_material_balance_type(self):
         return MaterialBalanceType.componentTotal

watertap/unit_models/reverse_osmosis_0D.py

@@ -51,8 +51,8 @@ class ReverseOsmosisData(ReverseOsmosisBaseData):
     def _add_feed_side_membrane_channel_and_geometry(self):
         # Build membrane channel control volume
         self.feed_side = MembraneChannel0DBlock(
-            dynamic=False,
-            has_holdup=False,
+            dynamic=self.config.dynamic,
+            has_holdup=self.config.has_holdup,
             property_package=self.config.property_package,
             property_package_args=self.config.property_package_args,
         )

watertap/unit_models/tests/test_cstr.py

@@ -270,12 +270,15 @@ def model(self):
         m.fs.unit.volume[0].fix(1.5e-03)
         m.fs.unit.heat_duty[0].fix(0)
         m.fs.unit.deltaP[0].fix(0)
-
+        iscale.calculate_scaling_factors(m)
         return m
 
     @pytest.mark.component
     def test_general_hierarchical(self, model):
-        initializer = SingleControlVolumeUnitInitializer()
+        initializer = SingleControlVolumeUnitInitializer(
+            writer_config={"linear_presolve": False}
+        )
+
         initializer.initialize(model.fs.unit)
 
         assert initializer.summary[model.fs.unit]["status"] == InitializationStatus.Ok