Mea column improvements

idaes/core/base/property_base.py

@@ -761,11 +761,22 @@ def calculate_scaling_factors(self):
         super().calculate_scaling_factors()
         # Get scaling factor defaults, if no scaling factor set
         for v in self.component_data_objects(
-            (Constraint, Var, Expression), descend_into=False
+            (Var, Expression), descend_into=False
         ):
             if iscale.get_scaling_factor(v) is None:  # don't replace if set
                 name = v.getname().split("[")[0]
                 index = v.index()
                 sf = self.config.parameters.get_default_scaling(name, index)
                 if sf is not None:
                     iscale.set_scaling_factor(v, sf)
+
+        for con in self.component_data_objects(Constraint, descend_into=False):
+            # if con.name == 'stripper_section.stripper.liquid_phase.properties[0.0,0.8].appr_to_true_species[Liq,CO2]':
+            #     import pdb; pdb.set_trace()
+            if iscale.get_constraint_transform_applied_scaling_factor(con) is None:
+                name = con.getname().split("[")[0]
+                index = con.index()
+                sf = self.config.parameters.get_default_scaling(name, index)
+                if sf is not None:
+                    iscale.constraint_scaling_transform(con, sf, overwrite=False)
+

idaes/models/properties/modular_properties/base/generic_property.py

@@ -4151,7 +4151,7 @@ def _log_mole_frac_phase_comp(self):
         try:
             self.log_mole_frac_phase_comp = Var(
                 self.phase_component_set,
-                initialize=0,
+                initialize=-1,
                 bounds=(-100, log(1.001)),
                 units=pyunits.dimensionless,
                 doc="Log of mole fractions of component by phase",
@@ -4176,8 +4176,8 @@ def _log_mole_frac_phase_comp_apparent(self):
         try:
             self.log_mole_frac_phase_comp_apparent = Var(
                 self.params.apparent_phase_component_set,
-                initialize=0,
-                bounds=(-50, 0),
+                initialize=-1,
+                bounds=(-100, log(1.001)),
                 units=pyunits.dimensionless,
                 doc="Log of mole fractions of component by phase",
             )
@@ -4201,8 +4201,8 @@ def _log_mole_frac_phase_comp_true(self):
         try:
             self.log_mole_frac_phase_comp_true = Var(
                 self.params.true_phase_component_set,
-                initialize=0,
-                bounds=(-50, 0),
+                initialize=-1,
+                bounds=(-100, log(1.001)),
                 units=pyunits.dimensionless,
                 doc="Log of mole fractions of component by phase",
             )

idaes/models/properties/modular_properties/base/tests/test_generic_reaction.py

@@ -633,8 +633,10 @@ def test_equilibrium_form(self, model):
         )
         assert value(model.rblock[1].equilibrium_constraint["e2"].body) == value(
             model.rblock[1].log_k_eq["e2"]
-            - model.sblock[1].log_mole_frac_phase_comp["p2", "c1"] * -5
-            + model.sblock[1].log_mole_frac_phase_comp["p2", "c2"] * 6
+            - (
+                model.sblock[1].log_mole_frac_phase_comp["p2", "c1"] * -5
+                + model.sblock[1].log_mole_frac_phase_comp["p2", "c2"] * 6
+            )
         )
 
     @pytest.mark.unit

idaes/models/properties/modular_properties/state_definitions/electrolyte_states.py

@@ -112,7 +112,7 @@ def appr_to_true_species(b, p, j):
             # Next, check for inherent reactions
             if b.has_inherent_reactions:
                 for r in b.params.inherent_reaction_idx:
-                    # Get stoichiometric coeffiicient for inherent reactions
+                    # Get stoichiometric coefficient for inherent reactions
                     gamma = b.params.inherent_reaction_stoichiometry[r, p, j]
 
                     if gamma != 0:
@@ -153,7 +153,6 @@ def _apparent_species_scaling(b):
         sf = iscale.get_scaling_factor(
             b.flow_mol_phase_comp_true[p, j], default=1, warning=True
         )
-
         iscale.constraint_scaling_transform(
             b.appr_to_true_species[p, j], sf, overwrite=False
         )

idaes/models/unit_models/heat_exchanger_ntu.py

@@ -47,6 +47,7 @@
 from idaes.core.util.math import smooth_min, smooth_max
 from idaes.core.solvers import get_solver
 from idaes.core.util.exceptions import InitializationError
+import idaes.core.util.scaling as iscale
 import idaes.logger as idaeslog
 
 __author__ = "Paul Akula, Andrew Lee"
@@ -371,7 +372,13 @@ def rule_entu(blk, t):
 
         self.heat_duty_constraint = Constraint(self.flowsheet().time, rule=rule_entu)
 
-    # TODO : Add scaling methods
+    def calculate_scaling_factors(self):
+        super().calculate_scaling_factors()
+
+        for t in self.flowsheet().time:
+            sf_heat = iscale.get_scaling_factor(self.hot_side.heat[t], default=1, warning=True)
+            iscale.constraint_scaling_transform(self.energy_balance_constraint[t], sf_heat, overwrite=False)
+            iscale.constraint_scaling_transform(self.heat_duty_constraint[t], sf_heat, overwrite=False)
 
     def initialize_build(
         self,

idaes/models_extra/column_models/properties/MEA_solvent.py

@@ -251,7 +251,7 @@ def return_expression(b, p, j, T):
 
 
 class PressureSatSolvent:
-    # Method for calculating saturation pressure ofsolvents
+    # Method for calculating saturation pressure of solvents
     @staticmethod
     def build_parameters(cobj):
         cobj.pressure_sat_comp_coeff_1 = Var(

idaes/models_extra/column_models/solvent_column.py

@@ -394,7 +394,7 @@ def column_cross_section_area_eqn(blk):
             self.vapor_phase.length_domain,
             initialize=0.9,
             units=(pyunits.m) ** 2 / (pyunits.m) ** 3,
-            doc="Specific interfacial area",
+            doc="Packing interfacial area per unit of column volume",
         )
 
         # Liquid and vapor holdups
@@ -492,6 +492,7 @@ def mechanical_equilibrium(blk, t, x):
         )
 
         # Mass transfer constraints
+        # "mass_transfer" is a bad name for this variable since it's written with a mole basis. "material" is better
         self.interphase_mass_transfer = Var(
             self.flowsheet().time,
             self.liquid_phase.length_domain,
@@ -560,10 +561,10 @@ def vapor_mass_transfer_eqn(blk, t, x, j):
             elif j in equilibrium_comp:
                 return (
                     pyunits.convert(
-                        blk.vapor_phase.mass_transfer_term[t, x, "Vap", j],
-                        to_units=lunits("amount") / lunits("time") / lunits("length"),
+                        -blk.interphase_mass_transfer[t, x, j],
+                        to_units=vunits("amount") / vunits("time") / vunits("length"),
                     )
-                    == -blk.interphase_mass_transfer[t, x, j]
+                    == blk.vapor_phase.mass_transfer_term[t, x, "Vap", j]
                 )
             else:
                 return blk.vapor_phase.mass_transfer_term[t, x, "Vap", j] == 0.0
@@ -575,7 +576,7 @@ def vapor_mass_transfer_eqn(blk, t, x, j):
             self.vapor_phase.length_domain,
             initialize=100,
             units=lunits("power") / lunits("temperature") / lunits("length"),
-            doc="Vapor-liquid heat transfer coefficient",
+            doc="Vapor-liquid heat transfer coefficient multiplied by heat transfer area per unit column length",
         )
 
         # Heat transfer
@@ -688,6 +689,13 @@ def pressure_at_interface(blk, t, x, j):
     def calculate_scaling_factors(self):
         super().calculate_scaling_factors()
 
+        vunits = (
+            self.config.vapor_phase.property_package.get_metadata().get_derived_units
+        )
+        lunits = (
+            self.config.liquid_phase.property_package.get_metadata().get_derived_units
+        )
+
         # ---------------------------------------------------------------------
         # Scale variables
         for (t, x, j), v in self.pressure_equil.items():
@@ -751,23 +759,34 @@ def calculate_scaling_factors(self):
             )
 
         for (t, x, j), v in self.liquid_mass_transfer_eqn.items():
+            zf = self.vapor_phase.length_domain.next(x)
             try:
                 sf = iscale.get_scaling_factor(
-                    self.interphase_mass_transfer[t, x, j], default=1, warning=False
+                    self.interphase_mass_transfer[t, zf, j], default=1, warning=False
                 )
             except KeyError:
                 # This implies a non-volatile component
-                sf = 1
+                sf = iscale.get_scaling_factor(
+                    self.liquid_phase.mass_transfer_term[t, x, "Liq", j], default=1, warning=True
+                )
             iscale.constraint_scaling_transform(v, sf)
 
         for (t, x, j), v in self.vapor_mass_transfer_eqn.items():
             try:
                 sf = iscale.get_scaling_factor(
                     self.interphase_mass_transfer[t, x, j], default=1, warning=False
                 )
+                # Account for the fact that this equation is written on a vapor unit basis
+                sf_units = pyunits.convert(
+                    1 / (lunits("amount") / lunits("time") / lunits("length")),
+                    1 / (vunits("amount") / vunits("time") / vunits("length"))
+                )
+                sf *= sf_units
             except KeyError:
                 # This implies a non-volatile component
-                sf = 1
+                sf = iscale.get_scaling_factor(
+                    self.vapor_phase.mass_transfer_term[t, x, "Vap", j], default=1, warning=True
+                )
             iscale.constraint_scaling_transform(v, sf)
 
         for (t, x), v in self.heat_transfer_eqn1.items():

idaes/models_extra/column_models/solvent_condenser.py

@@ -61,7 +61,7 @@
 class SolventCondenserData(UnitModelBlockData):
     """
     Condenser unit for solvent column models using separate property packages
-    for liquid and vpor phases.
+    for liquid and vapor phases.
 
     Unit model to condense the vapor from the top of a solvent column.
     """
@@ -321,11 +321,11 @@ def build(self):
         flow_basis = self.liquid_phase[t_init].get_material_flow_basis()
         if flow_basis == MaterialFlowBasis.molar:
             fb = "flow_mole"
-        elif flow_basis == MaterialFlowBasis.molar:
-            fb = "flow_mass"
+        # elif flow_basis == MaterialFlowBasis.mass:
+        #     fb = "flow_mass"
         else:
             raise ConfigurationError(
-                f"{self.name} SolventCondenser only supports mass or molar "
+                f"{self.name} SolventCondenser only supports molar "
                 f"basis for MaterialFlowBasis."
             )
 
@@ -349,7 +349,7 @@ def rule_material_balance(blk, t, j):
             elif j in self.liquid_phase.component_list:
                 # Non-volatile component
                 # No mass transfer term
-                # Set liquid flowrate to an arbitary small value
+                # Set liquid flowrate to an arbitrary small value
                 return (
                     blk.liquid_phase[t].get_material_flow_terms("Liq", j)
                     == blk.zero_flow_param
@@ -450,7 +450,14 @@ def calculate_scaling_factors(self):
                     ),
                 )
             elif j in self.liquid_phase.component_list:
-                iscale.constraint_scaling_transform(v, value(1 / self.zero_flow_param))
+                iscale.constraint_scaling_transform(
+                    v,
+                    iscale.get_scaling_factor(
+                        self.liquid_phase[t].get_material_flow_terms("Liq",j),
+                        default=1,
+                        warning=True,
+                    ),
+                )
             else:
                 pass  # no need to scale this constraint