BSM2 full flowsheet

watertap/examples/flowsheets/case_studies/BSM2/test/test_ASM_ADM_integration.py

@@ -0,0 +1,60 @@
+#################################################################################
+# WaterTAP Copyright (c) 2020-2023, The Regents of the University of California,
+# through Lawrence Berkeley National Laboratory, Oak Ridge National Laboratory,
+# National Renewable Energy Laboratory, and National Energy Technology
+# Laboratory (subject to receipt of any required approvals from the U.S. Dept.
+# of Energy). All rights reserved.
+#
+# Please see the files COPYRIGHT.md and LICENSE.md for full copyright and license
+# information, respectively. These files are also available online at the URL
+# "https://github.com/watertap-org/watertap/"
+#################################################################################
+"""
+Tests for ADM1 flowsheet example.
+
+Verified against results from:
+
+Rosen, C. and Jeppsson, U., 2006.
+Aspects on ADM1 Implementation within the BSM2 Framework.
+Department of Industrial Electrical Engineering and Automation, Lund University, Lund, Sweden, pp.1-35.
+
+"""
+
+# Some more information about this module
+__author__ = "Alejandro Garciadiego, Xinhong Liu"
+
+import pytest
+import pytest
+
+from pyomo.environ import assert_optimal_termination, value
+from pyomo.util.check_units import assert_units_consistent
+
+from idaes.core.util.model_statistics import degrees_of_freedom
+
+import numpy as np
+import pandas as pd
+from idaes.core.solvers import get_solver
+import idaes.core.util.scaling as iscale
+from pyomo.opt import TerminationCondition, SolverStatus
+
+from idaes.core.util.model_statistics import degrees_of_freedom
+
+from watertap.examples.flowsheets.case_studies.BSM2.ASM_ADM_integration import (
+    build_flowsheet,
+)
+
+
+class TestASM1Flowsheet:
+    @pytest.fixture(scope="class")
+    def model(self):
+        m, res = build_flowsheet()
+
+        m.results = res
+
+        return m
+
+    @pytest.mark.integration
+    def test_structure(self, model):
+        assert_units_consistent(model)
+        assert degrees_of_freedom(model) == 0
+        assert_optimal_termination(model.results)

watertap/examples/flowsheets/case_studies/activated_sludge/ASM1_flowsheet.py

@@ -32,7 +32,7 @@
 """
 
 # Some more information about this module
-__author__ = "Andrew Lee"
+__author__ = "Andrew Lee, Xinhong Liu"
 
 import pyomo.environ as pyo
 from pyomo.network import Arc, SequentialDecomposition
@@ -185,10 +185,10 @@ def mass_transfer_R4(self, t):
     m.fs.FeedWater.conc_mass_comp[0, "X_I"].fix(51.2 * pyo.units.g / pyo.units.m**3)
     m.fs.FeedWater.conc_mass_comp[0, "X_S"].fix(202.32 * pyo.units.g / pyo.units.m**3)
     m.fs.FeedWater.conc_mass_comp[0, "X_BH"].fix(28.17 * pyo.units.g / pyo.units.m**3)
-    m.fs.FeedWater.conc_mass_comp[0, "X_BA"].fix(1e-6 * pyo.units.g / pyo.units.m**3)
-    m.fs.FeedWater.conc_mass_comp[0, "X_P"].fix(1e-6 * pyo.units.g / pyo.units.m**3)
-    m.fs.FeedWater.conc_mass_comp[0, "S_O"].fix(1e-6 * pyo.units.g / pyo.units.m**3)
-    m.fs.FeedWater.conc_mass_comp[0, "S_NO"].fix(1e-6 * pyo.units.g / pyo.units.m**3)
+    m.fs.FeedWater.conc_mass_comp[0, "X_BA"].fix(0 * pyo.units.g / pyo.units.m**3)
+    m.fs.FeedWater.conc_mass_comp[0, "X_P"].fix(0 * pyo.units.g / pyo.units.m**3)
+    m.fs.FeedWater.conc_mass_comp[0, "S_O"].fix(0 * pyo.units.g / pyo.units.m**3)
+    m.fs.FeedWater.conc_mass_comp[0, "S_NO"].fix(0 * pyo.units.g / pyo.units.m**3)
     m.fs.FeedWater.conc_mass_comp[0, "S_NH"].fix(31.56 * pyo.units.g / pyo.units.m**3)
     m.fs.FeedWater.conc_mass_comp[0, "S_ND"].fix(6.95 * pyo.units.g / pyo.units.m**3)
     m.fs.FeedWater.conc_mass_comp[0, "X_ND"].fix(10.59 * pyo.units.g / pyo.units.m**3)
@@ -294,7 +294,7 @@ def function(unit):
     seq.run(m, function)
 
     # Solve overall flowsheet to close recycle loop
-    solver = get_solver(options={"bound_push": 1e-8})
+    solver = get_solver()
     results = solver.solve(m)
     check_solve(results, checkpoint="closing recycle", logger=_log, fail_flag=True)
 

watertap/examples/flowsheets/case_studies/activated_sludge/tests/test_asm2_noPHA_flowsheet.py

@@ -43,6 +43,7 @@ def test_structure(self, model):
         assert degrees_of_freedom(model) == 0
         assert_optimal_termination(model.results)
 
+    @pytest.mark.requires_idaes_solver
     @pytest.mark.integration
     def test_results(self, model):
         # Treated water

watertap/examples/flowsheets/case_studies/anaerobic_digestor/ADM1_flowsheet.py

@@ -51,7 +51,7 @@ def build_flowsheet():
     m.fs.R1.inlet.flow_vol.fix(170 * pyo.units.m**3 / pyo.units.day)
     m.fs.R1.inlet.temperature.fix(308.15 * pyo.units.K)
     m.fs.R1.inlet.pressure.fix(1 * pyo.units.atm)
-    m.fs.R1.inlet.conc_mass_comp[0, "S_su"].fix(1 * pyo.units.mg / pyo.units.liter)
+    m.fs.R1.inlet.conc_mass_comp[0, "S_su"].fix(10 * pyo.units.mg / pyo.units.liter)
     m.fs.R1.inlet.conc_mass_comp[0, "S_aa"].fix(1 * pyo.units.mg / pyo.units.liter)
     m.fs.R1.inlet.conc_mass_comp[0, "S_fa"].fix(1 * pyo.units.mg / pyo.units.liter)
     m.fs.R1.inlet.conc_mass_comp[0, "S_va"].fix(1 * pyo.units.mg / pyo.units.liter)
@@ -72,7 +72,7 @@ def build_flowsheet():
     m.fs.R1.inlet.conc_mass_comp[0, "X_ch"].fix(5000 * pyo.units.mg / pyo.units.liter)
     m.fs.R1.inlet.conc_mass_comp[0, "X_pr"].fix(20000 * pyo.units.mg / pyo.units.liter)
     m.fs.R1.inlet.conc_mass_comp[0, "X_li"].fix(5000 * pyo.units.mg / pyo.units.liter)
-    m.fs.R1.inlet.conc_mass_comp[0, "X_su"].fix(1 * pyo.units.mg / pyo.units.liter)
+    m.fs.R1.inlet.conc_mass_comp[0, "X_su"].fix(0.0 * pyo.units.mg / pyo.units.liter)
     m.fs.R1.inlet.conc_mass_comp[0, "X_aa"].fix(10 * pyo.units.mg / pyo.units.liter)
     m.fs.R1.inlet.conc_mass_comp[0, "X_fa"].fix(10 * pyo.units.mg / pyo.units.liter)
     m.fs.R1.inlet.conc_mass_comp[0, "X_c4"].fix(10 * pyo.units.mg / pyo.units.liter)
@@ -90,9 +90,9 @@ def build_flowsheet():
     m.fs.R1.liquid_outlet.temperature.fix(308.15 * pyo.units.K)
 
     # TO DO: Fix initialization
-    m.fs.R1.initialize(outlvl=idaeslog.INFO_HIGH, optarg={"bound_push": 1e-8})
+    m.fs.R1.initialize(outlvl=idaeslog.INFO_HIGH)
 
-    solver = get_solver(options={"bound_push": 1e-8})
+    solver = get_solver()
 
     results = solver.solve(m, tee=True)
 

watertap/examples/flowsheets/case_studies/anaerobic_digestor/tests/test_adm1_flowsheet.py

@@ -64,7 +64,7 @@ def test_results(self, model):
         )
         assert value(
             model.fs.R1.liquid_outlet.conc_mass_comp[0, "S_su"]
-        ) == pytest.approx(1.193e-2, rel=1e-2)
+        ) == pytest.approx(1.195e-2, rel=1e-2)
         assert value(
             model.fs.R1.liquid_outlet.conc_mass_comp[0, "S_aa"]
         ) == pytest.approx(5.31e-3, rel=1e-2)
@@ -82,25 +82,25 @@ def test_results(self, model):
         ) == pytest.approx(0.01578, rel=1e-2)
         assert value(
             model.fs.R1.liquid_outlet.conc_mass_comp[0, "S_ac"]
-        ) == pytest.approx(0.17319, rel=1e-2)
+        ) == pytest.approx(0.19763, rel=1e-2)
         assert value(
             model.fs.R1.liquid_outlet.conc_mass_comp[0, "S_h2"]
-        ) == pytest.approx(2.35e-7, rel=1e-2)
+        ) == pytest.approx(2.36e-7, rel=1e-2)
         assert value(
             model.fs.R1.liquid_outlet.conc_mass_comp[0, "S_ch4"]
-        ) == pytest.approx(0.0541, rel=1e-2)
+        ) == pytest.approx(0.05508, rel=1e-2)
         assert value(
             model.fs.R1.liquid_outlet.conc_mass_comp[0, "S_IC"]
-        ) == pytest.approx(0.15436 * 12, rel=1e-2)
+        ) == pytest.approx(0.15268 * 12, rel=1e-2)
         assert value(
             model.fs.R1.liquid_outlet.conc_mass_comp[0, "S_IN"]
-        ) == pytest.approx(0.13022 * 14, rel=1e-2)
+        ) == pytest.approx(0.13023 * 14, rel=1e-2)
         assert value(
             model.fs.R1.liquid_outlet.conc_mass_comp[0, "S_I"]
         ) == pytest.approx(0.32869, rel=1e-2)
         assert value(
             model.fs.R1.liquid_outlet.conc_mass_comp[0, "X_c"]
-        ) == pytest.approx(0.3086, rel=1e-2)
+        ) == pytest.approx(0.30869, rel=1e-2)
         assert value(
             model.fs.R1.liquid_outlet.conc_mass_comp[0, "X_ch"]
         ) == pytest.approx(0.02794, rel=1e-2)

watertap/examples/flowsheets/case_studies/electroNP/tests/test_electroNP_flowsheet.py

@@ -66,7 +66,7 @@ def test_results(self, model):
         ) == pytest.approx(19.4947, rel=1e-4)
         assert value(
             model.fs.electroNP.treated.conc_mass_comp[0, "S_I"]
-        ) == pytest.approx(0.026604, rel=1e-4)
+        ) == pytest.approx(0.026599, rel=1e-4)
         assert value(
             model.fs.electroNP.treated.conc_mass_comp[0, "S_N2"]
         ) == pytest.approx(0, abs=1e-4)

watertap/property_models/activated_sludge/asm1_properties.py

@@ -36,8 +36,7 @@
 import idaes.core.util.scaling as iscale
 
 # Some more information about this module
-__author__ = "Andrew Lee, Adam Atia"
-
+__author__ = "Andrew Lee, Adam Atia, Xinhong Liu"
 
 # Set up logger
 _log = idaeslog.getLogger(__name__)
@@ -283,7 +282,7 @@ def build(self):
         self.temperature = pyo.Var(
             domain=pyo.NonNegativeReals,
             initialize=298.15,
-            bounds=(293.15, 323.15),
+            bounds=(273.15, 323.15),
             doc="Temperature",
             units=pyo.units.K,
         )
@@ -359,6 +358,11 @@ def energy_density_expression(self):
             rule=energy_density_expression, doc="Energy density term"
         )
 
+        iscale.set_scaling_factor(self.flow_vol, 1e1)
+        iscale.set_scaling_factor(self.temperature, 1e-1)
+        iscale.set_scaling_factor(self.pressure, 1e-6)
+        iscale.set_scaling_factor(self.conc_mass_comp, 1e1)
+
     def get_material_flow_terms(self, p, j):
         return self.material_flow_expression[j]
 

watertap/property_models/activated_sludge/asm1_reactions.py

@@ -38,7 +38,7 @@
 
 
 # Some more information about this module
-__author__ = "Andrew Lee"
+__author__ = "Andrew Lee, Xinhong Liu"
 
 
 # Set up logger
@@ -465,13 +465,10 @@ def rate_expression_rule(b, r):
                     # R7: Hydrolysis of entrapped organics
                     return b.reaction_rate[r] == pyo.units.convert(
                         b.params.k_h
-                        * (b.conc_mass_comp_ref["X_S"] / b.conc_mass_comp_ref["X_BH"])
+                        * b.conc_mass_comp_ref["X_S"]
                         / (
-                            b.params.K_X
-                            + (
-                                b.conc_mass_comp_ref["X_S"]
-                                / b.conc_mass_comp_ref["X_BH"]
-                            )
+                            b.params.K_X * b.conc_mass_comp_ref["X_BH"]
+                            + b.conc_mass_comp_ref["X_S"]
                         )
                         * (
                             (
@@ -493,7 +490,13 @@ def rate_expression_rule(b, r):
                     # R8: Hydrolysis of entrapped organic nitrogen
                     return b.reaction_rate[r] == (
                         b.reaction_rate["R7"]
-                        * (b.conc_mass_comp_ref["X_ND"] / b.conc_mass_comp_ref["X_S"])
+                        * (
+                            b.conc_mass_comp_ref["X_ND"]
+                            / (
+                                b.conc_mass_comp_ref["X_S"]
+                                + 1e-10 * pyo.units.kg / pyo.units.m**3
+                            )
+                        )
                     )
                 else:
                     raise BurntToast()

watertap/property_models/activated_sludge/asm2d_properties.py

@@ -41,7 +41,7 @@
 import idaes.logger as idaeslog
 
 # Some more information about this module
-__author__ = "Andrew Lee, Adam Atia"
+__author__ = "Andrew Lee, Adam Atia, Xinhong Liu"
 
 
 # Set up logger
@@ -319,7 +319,7 @@ def build(self):
         self.temperature = pyo.Var(
             domain=pyo.NonNegativeReals,
             initialize=298.15,
-            bounds=(298.14, 323.15),
+            bounds=(273.15, 323.15),
             doc="Temperature",
             units=pyo.units.K,
         )