added initial guess arguments for heating and cooling step times

IDAES · Sep 21, 2023 · 234ab3e · 234ab3e
1 parent 74ad787
commit 234ab3e
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Showing 3 changed files with 22 additions and 13 deletions.
diff --git a/idaes/models_extra/temperature_swing_adsorption/fixed_bed_tsa0d.py b/idaes/models_extra/temperature_swing_adsorption/fixed_bed_tsa0d.py
@@ -627,7 +627,9 @@ def _add_general_parameters(self):
             units=units.Pa * units.s,
             doc="Gas phase viscosity",
         )
-        self.particle_sphericity = Param(initialize=1, units=units.dimensionless)
+        self.particle_sphericity = Param(
+            initialize=1, units=units.dimensionless, doc="Particle sphericity"
+        )
         self.bed_voidage_mf = Param(
             initialize=0.5,
             units=units.dimensionless,

diff --git a/idaes/models_extra/temperature_swing_adsorption/initializer.py b/idaes/models_extra/temperature_swing_adsorption/initializer.py
@@ -58,6 +58,8 @@ def initialize(
         json_file: str = None,
         output_level=None,
         exclude_unused_vars: bool = True,
+        heating_time_guess=1000,
+        cooling_time_guess=500,
     ):
 
         if not exclude_unused_vars:
@@ -69,7 +71,10 @@ def initialize(
                 "to True to avoid raising an InitializationError."
             )
 
-        super(FixedBedTSA0DInitializer, self).initialize(
+        self.heating_time_guess = heating_time_guess
+        self.cooling_time_guess = cooling_time_guess
+
+        super().initialize(
             model=model,
             initial_guesses=initial_guesses,
             json_file=json_file,
@@ -106,7 +111,6 @@ def initialization_routine(
             self.opt = get_solver(self.config.solver, self.config.solver_options)
         else:
             self.opt = self.config.solver
-        print(self.opt.options)
 
         # initialization of fixed bed TSA model unit
         init_log.info("Starting fixed bed TSA initialization")
@@ -131,14 +135,14 @@ def initialization_routine(
 
         # deactivate final condition constraint and fix time
         blk.heating.fc_temperature_eq.deactivate()
-        blk.heating.time.fix(1e3 * units.s)
+        blk.heating.time.fix(self.heating_time_guess * units.s)
 
         # check degrees of freedom and solve
         if degrees_of_freedom(blk.heating) == 0:
             self._false_position_method(
                 blk,
                 cycle_step=blk.heating,
-                t_guess=1e3,
+                t_guess=self.heating_time_guess,
             )
         else:
             raise InitializationError(
@@ -177,14 +181,14 @@ def initialization_routine(
 
         # deactivate final condition constraint and fix time
         blk.cooling.fc_temperature_eq.deactivate()
-        blk.cooling.time.fix(500 * units.s)
+        blk.cooling.time.fix(self.cooling_time_guess * units.s)
 
         # check degrees of freedom and solve
         if degrees_of_freedom(blk.cooling) == 0:
             self._false_position_method(
                 blk,
                 cycle_step=blk.cooling,
-                t_guess=500,
+                t_guess=self.cooling_time_guess,
             )
         else:
             raise InitializationError(

diff --git a/idaes/models_extra/temperature_swing_adsorption/tests/test_fixed_bed_tsa0d.py b/idaes/models_extra/temperature_swing_adsorption/tests/test_fixed_bed_tsa0d.py
@@ -116,8 +116,9 @@ def test_units(self, model):
     @pytest.mark.component
     def test_initialize(self, model):
         initializer = FixedBedTSA0DInitializer()
-        initializer.initialize(model.fs.unit)
-
+        initializer.initialize(
+            model.fs.unit, heating_time_guess=70000, cooling_time_guess=110000
+        )
         assert initializer.summary[model.fs.unit]["status"] == InitializationStatus.Ok
 
     @pytest.mark.solver
@@ -231,8 +232,9 @@ def test_units(self, model):
     @pytest.mark.component
     def test_initialize(self, model):
         initializer = FixedBedTSA0DInitializer()
-        initializer.initialize(model.fs.unit)
-
+        initializer.initialize(
+            model.fs.unit, heating_time_guess=2000, cooling_time_guess=900
+        )
         assert initializer.summary[model.fs.unit]["status"] == InitializationStatus.Ok
 
     @pytest.mark.solver
@@ -341,8 +343,9 @@ def test_dof(self, model):
     @pytest.mark.component
     def test_initialize(self, model):
         initializer = FixedBedTSA0DInitializer()
-        initializer.initialize(model.fs.unit)
-
+        initializer.initialize(
+            model.fs.unit, heating_time_guess=700, cooling_time_guess=700
+        )
         assert initializer.summary[model.fs.unit]["status"] == InitializationStatus.Ok
 
     @pytest.mark.solver