Merge branch 'add_aggs_asm1' into bsm2_optimization

agarciadiego · Dec 8, 2023 · d5e5352 · d5e5352
2 parents 371b2f1 + 51e92e8
commit d5e5352
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Showing 3 changed files with 86 additions and 2 deletions.
diff --git a/watertap/property_models/activated_sludge/asm1_properties.py b/watertap/property_models/activated_sludge/asm1_properties.py
@@ -125,6 +125,30 @@ def build(self):
             doc="Reference temperature",
             units=pyo.units.K,
         )
+        #TODO: f_p exists on the rxn parameter block and duplicating here temporarily; consolidate
+        self.f_p = pyo.Var(
+            initialize=0.08,
+            units=pyo.units.dimensionless,
+            domain=pyo.PositiveReals,
+            doc="Fraction of biomass yielding particulate products, f_p",
+        )
+        self.f_p.fix()
+
+        #TODO: i_xb and i_xp exist on rxn param block, duplicating temporarily; consolidate later
+        self.i_xb = pyo.Var(
+            initialize=0.08,
+            units=pyo.units.dimensionless,
+            domain=pyo.PositiveReals,
+            doc="Mass fraction of N per COD in biomass, i_xb",
+        )
+        self.i_xp = pyo.Var(
+            initialize=0.06,
+            units=pyo.units.dimensionless,
+            domain=pyo.PositiveReals,
+            doc="Mass fraction of N per COD in particulates, i_xp",
+        )
+        self.i_xb.fix()
+        self.i_xp.fix()
 
     @classmethod
     def define_metadata(cls, obj):
@@ -139,6 +163,11 @@ def define_metadata(cls, obj):
         obj.define_custom_properties(
             {
                 "alkalinity": {"method": None},
+                "TSS": {"method": "_TSS"},
+                "BOD5": {"method": "_BOD5"},
+                "TKN": {"method": "_TKN"},
+                "Total_N": {"method": "_Total_N"},
+                "COD": {"method": "_COD"},
             }
         )
         obj.add_default_units(
@@ -356,6 +385,53 @@ def energy_density_expression(self):
             rule=energy_density_expression, doc="Energy density term"
         )
 
+        def _TSS(self):
+            tss = self.conc_mass_comp["X_S"] + self.conc_mass_comp["X_I"] + self.conc_mass_comp["X_BH"] + self.conc_mass_comp["X_BA"] + self.conc_mass_comp["X_P"]
+            return 0.75*tss
+
+        self.TSS = pyo.Expression(
+            rule=_TSS,
+            doc="Total suspended solids (TSS)",
+        )
+
+        def _BOD5(self):
+            bod5 = self.conc_mass_comp["X_S"] + self.conc_mass_comp["X_S"] + (1-self.params.f_p)*(self.conc_mass_comp["X_BH"] + self.conc_mass_comp["X_BA"])
+            #TODO: 0.25 should be a parameter instead as it changes by influent/effluent
+            return 0.25*bod5
+
+        self.BOD5 = pyo.Expression(
+            rule=_BOD5,
+            doc="Five-day Biological Oxygen Demand (BOD5)",
+        )
+
+        def _COD(self):
+            cod = self.conc_mass_comp["S_S"] + self.conc_mass_comp["S_I"] +  self.conc_mass_comp["X_S"] + self.conc_mass_comp["X_S"] + self.conc_mass_comp["X_I"] + self.conc_mass_comp["X_BH"] + self.conc_mass_comp["X_BA"]+ self.conc_mass_comp["X_P"]
+            return cod
+
+        self.COD = pyo.Expression(
+            rule=_COD,
+            doc="Chemical Oxygen Demand",
+        )
+
+        def _TKN(self):
+            tkn = self.conc_mass_comp["S_NH"] + self.conc_mass_comp["S_ND"] +  self.conc_mass_comp["X_ND"] + self.params.i_xb * (self.conc_mass_comp["X_BH"] + self.conc_mass_comp["X_BA"]) + self.params.i_xp * (self.conc_mass_comp["X_P"] + self.conc_mass_comp["X_I"])
+            return tkn
+
+        self.TKN = pyo.Expression(
+            rule=_TKN,
+            doc="Total Kjeldahl Nitrogen",
+        )
+
+        def _Total_N(self):
+            totaln = self.TKN + self.conc_mass_comp["S_NO"]
+            return totaln
+
+        self.Total_N = pyo.Expression(
+            rule=_Total_N,
+            doc="Total Nitrogen",
+        )
+
+
         iscale.set_scaling_factor(self.flow_vol, 1e1)
         iscale.set_scaling_factor(self.temperature, 1e-1)
         iscale.set_scaling_factor(self.pressure, 1e-6)

diff --git a/watertap/property_models/activated_sludge/asm1_reactions.py b/watertap/property_models/activated_sludge/asm1_reactions.py
@@ -39,7 +39,7 @@
 
 
 # Some more information about this module
-__author__ = "Andrew Lee, Xinhong Liu"
+__author__ = "Andrew Lee, Xinhong Liu, Adam Atia"
 
 
 # Set up logger

diff --git a/watertap/property_models/activated_sludge/tests/test_asm1_thermo.py b/watertap/property_models/activated_sludge/tests/test_asm1_thermo.py
@@ -11,7 +11,7 @@
 #################################################################################
 """
 Tests for ASM1 thermo property package.
-Authors: Andrew Lee
+Authors: Andrew Lee, Adam Atia
 """
 
 import pytest
@@ -320,3 +320,11 @@ def test_initialize(self, model):
     @pytest.mark.unit
     def check_units(self, model):
         assert_units_consistent(model)
+
+    @pytest.mark.unit
+    def test_expressions(self, model):
+        assert value(model.props[1].TSS) == 0.375
+        assert value(model.props[1].COD) == pytest.approx(0.7999, rel=1e-3)     
+        assert value(model.props[1].BOD5) == 0.096
+        assert value(model.props[1].TKN) == pytest.approx(0.328, rel=1e-3)
+        assert value(model.props[1].Total_N) == pytest.approx(0.428, rel=1e-3)