BSM2 full flowsheet #1038

agarciadiego · 2023-05-22T15:34:47Z

Summary/Motivation:

BSM2 full flowsheet #934

Changes proposed in this PR:

Legal Acknowledgement

By contributing to this software project, I agree to the following terms and conditions for my contribution:

I agree my contributions are submitted under the license terms described in the LICENSE.txt file at the top level of this directory.
I represent I am authorized to make the contributions and grant the license. If my employer has rights to intellectual property that includes these contributions, I represent that I have received permission to make contributions and grant the required license on behalf of that employer.

Co-authored-by: Adam Atia <[email protected]>

watertap/unit_models/translators/translator_asm1_adm1.py

bknueven

Just capturing some initial thoughts / questions I have on the code

watertap/property_models/activated_sludge/asm1_properties.py

watertap/property_models/anaerobic_digestion/adm1_reactions.py

watertap/unit_models/translators/translator_asm1_adm1.py

watertap/examples/flowsheets/case_studies/BSM2/ASM1_ADM1_flowsheet.py

andrewlee94 · 2023-08-14T17:46:11Z

@adam-a-a @agarciadiego ExprIf is generally OK as long as the solution does not exist near (or frequently cross) the boundary.

There are two potential issues with ExprIf:

If the function is discontinuous and the first (and maybe second) partial derivatives are non-monotonic then you can have issues with the solution around the switch point. If these conditions are met then the solution should be stable at least.
The other issue is that when the state of the model crosses the switch point, the solver generally needs to rebuild the problem (as the matrices have now changed). This adds an overhead, which can be a big issue if the state keeps oscillating around the switch point (or in a DAE system where you can see each point in the domain switching in sequence).

adam-a-a · 2023-08-14T18:07:16Z

watertap/property_models/anaerobic_digestion/adm1_reactions.py

-                    ** 2
-                ),
+            return (
+                -3
+                * (
+                    smooth_max(0, self.params.pH_UL_ac - self.pH, eps=1e-8)
+                    / (self.params.pH_UL_ac - self.params.pH_LL_ac)
+                )
+                ** 2
            )

        self.I_pH_ac = pyo.Expression(
            rule=rule_I_pH_ac, doc="pH inhibition of acetate-utilizing microorganisms"
        )

        def rule_I_pH_h2(self):
-            return pyo.Expr_if(
-                self.pH > self.params.pH_UL_h2,
-                1,
-                pyo.exp(
-                    -3
-                    * (
-                        (self.pH - self.params.pH_UL_h2)
-                        / (self.params.pH_UL_h2 - self.params.pH_LL_h2)
-                    )
-                    ** 2
-                ),
+            return (
+                -3
+                * (
+                    smooth_max(0, self.params.pH_UL_h2 - self.pH, eps=1e-8)
+                    / (self.params.pH_UL_h2 - self.params.pH_LL_h2)
+                )
+                ** 2


Technically, these are log(I_pH_ac) and log(I_pH_h2). We should name the associated expressions accordingly.

adam-a-a · 2023-08-14T18:07:34Z

watertap/property_models/anaerobic_digestion/adm1_reactions.py

+                    smooth_max(0, self.params.pH_UL_h2 - self.pH, eps=1e-8)
+                    / (self.params.pH_UL_h2 - self.params.pH_LL_h2)
+                )
+                ** 2
            )

        self.I_pH_h2 = pyo.Expression(


Suggested change

self.I_pH_h2 = pyo.Expression(

self.log_I_pH_h2 = pyo.Expression(

adam-a-a · 2023-08-14T18:07:53Z

watertap/property_models/anaerobic_digestion/adm1_reactions.py

+                    smooth_max(0, self.params.pH_UL_ac - self.pH, eps=1e-8)
+                    / (self.params.pH_UL_ac - self.params.pH_LL_ac)
+                )
+                ** 2
            )

        self.I_pH_ac = pyo.Expression(


Suggested change

self.I_pH_ac = pyo.Expression(

self.log_I_pH_ac = pyo.Expression(

adam-a-a · 2023-08-14T18:12:14Z

watertap/property_models/anaerobic_digestion/modified_adm1_reactions.py

-                    ** 2
-                ),
+            return (
+                -3


Same comments as before- should rename expressions to indicate logarithmic form as well as doc string descriptions.

watertap/property_models/anaerobic_digestion/tests/test_adm1_reaction.py

adam-a-a · 2023-08-14T18:19:23Z

watertap/property_models/anaerobic_digestion/tests/test_adm1_reaction.py

+        assert value(model.fs.unit.liquid_phase.reactions[0].pKW, Var) == pytest.approx(
+            -log10(2.08e-14), rel=1e-2
        )
        assert value(
-            model.fs.unit.liquid_phase.reactions[0].K_a_co2, Var
-        ) == pytest.approx(4.94e-7, rel=1e-2)
+            model.fs.unit.liquid_phase.reactions[0].pK_a_co2, Var
+        ) == pytest.approx(-log10(4.94e-7), rel=1e-2)
        assert value(
-            model.fs.unit.liquid_phase.reactions[0].K_a_IN, Var
-        ) == pytest.approx(1.11e-9, rel=1e-2)
+            model.fs.unit.liquid_phase.reactions[0].pK_a_IN, Var
+        ) == pytest.approx(-log10(1.11e-9), rel=1e-2)


@MarcusHolly can we verify whether updates to documentation will be needed based on the changes in this PR to some variables/constraints?

If so, let's track with an issue

@adam-a-a Yes - it appears some changes will need to be made to the ADM1 and modified ADM1 documentation. I will add it to the master issue and get to it when I have the time.

adam-a-a · 2023-08-14T18:21:09Z

watertap/property_models/anaerobic_digestion/tests/test_modified_adm1_reaction.py

+        m.fs.unit.inlet.conc_mass_comp[0, "X_su"].fix(1e-8)
+        m.fs.unit.inlet.conc_mass_comp[0, "X_aa"].fix(1e-8)
+        m.fs.unit.inlet.conc_mass_comp[0, "X_fa"].fix(1e-8)
+        m.fs.unit.inlet.conc_mass_comp[0, "X_c4"].fix(1e-8)
+        m.fs.unit.inlet.conc_mass_comp[0, "X_pro"].fix(1e-8)
+        m.fs.unit.inlet.conc_mass_comp[0, "X_ac"].fix(1e-8)
+        m.fs.unit.inlet.conc_mass_comp[0, "X_h2"].fix(1e-8)


curious why 0s were able to be set for other model specifications after changes but not here

That change affected the translators

watertap/examples/flowsheets/case_studies/BSM2/ASM_ADM_integration.py

…into dewatering

adam-a-a

I have several suggestions that I think can be handled in a subsequent PR. Let's get this in and keep the locomotive moving! Great job!

…into dewatering

adam-a-a · 2023-08-17T19:07:30Z

NOTE: @agarciadiego @MarcusHolly @luohezhiming @TimBartholomew - I renamed the BSM2 folder as "full_water_resource_recovery_facility" since the fixed values specified in the flowsheet deviate from that of BSM2 defaults. Our other implementation of this flowsheet, with BSM2 defaults, is intended to be conveyed through Jupyter Notebook.

Also, we talked a bit about this but after some more thought, since we plan to export BSM2 to the GUI, we should probably consider replacing values in the full_WRRF_with_ASM1_and_ADM1 flowsheet in this PR with BSM2 defaults and use that for the GUI export.

agarciadiego and others added 24 commits April 20, 2023 15:36

dewtering unit model

557d05e

Merge branch 'watertap-org:main' into dewatering

7407aed

removing imports

68c0eac

black

5f4828c

black and doc error

3e72529

testing scaling

c60a871

pylint errors 1

8e2d74f

change blk to self

b594424

pylint errors 2

157dff9

adding test and list error

a63274c

thickener unit model

9d6b6fc

unit consistency check

5dadf22

Merge branch 'main' into dewatering

265e414

applying comments

5b164da

fix typo

3fad339

fix typo 2

87ed9d4

Update watertap/unit_models/thickener.py

757a094

Co-authored-by: Adam Atia <[email protected]>

Update watertap/unit_models/dewatering.py

ee1d1de

Co-authored-by: Adam Atia <[email protected]>

chaine unit name in tests

366e5bf

changing class name

fe75437

cleanup unused imports and add time index to TSS in dewaterer

5156ca9

remove unused imports from test_dewatering

b2627fd

more cleanup

84585e5

BSM2 full flowsheet

bcb7440

agarciadiego self-assigned this May 22, 2023

agarciadiego marked this pull request as draft May 22, 2023 15:34

gettting branch up-to-date

1c9cdbd

adam-a-a reviewed May 22, 2023

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watertap/unit_models/translators/translator_asm1_adm1.py Outdated Show resolved Hide resolved

bknueven reviewed May 22, 2023

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watertap/property_models/activated_sludge/asm1_properties.py Outdated Show resolved Hide resolved

watertap/property_models/anaerobic_digestion/adm1_reactions.py Outdated Show resolved Hide resolved

watertap/unit_models/translators/translator_asm1_adm1.py Outdated Show resolved Hide resolved

adam-a-a reviewed May 22, 2023

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watertap/examples/flowsheets/case_studies/BSM2/ASM1_ADM1_flowsheet.py Outdated Show resolved Hide resolved

adam-a-a reviewed Aug 14, 2023

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watertap/property_models/anaerobic_digestion/tests/test_adm1_reaction.py Show resolved Hide resolved

adam-a-a reviewed Aug 14, 2023

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watertap/examples/flowsheets/case_studies/BSM2/ASM_ADM_integration.py Outdated Show resolved Hide resolved

adam-a-a added 5 commits August 14, 2023 15:29

Merge branch 'dewatering' of https://github.com/agarciadiego/watertap …

478854d

…into dewatering

run black and remove some unused imports

a7437ab

cleanup more unused imports on ASM_ADM_integration

9bdd2f1

rename BSM2 flowsheet and test

688b1b2

rename flowsheet and test again; remove unused imports

d58d035

adam-a-a approved these changes Aug 14, 2023

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MarcusHolly approved these changes Aug 16, 2023

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adam-a-a added 5 commits August 16, 2023 19:06

Merge branch 'main' into dewatering

82a207b

reorganize BSM2 flowsheet and clean up

840f25c

Merge branch 'dewatering' of https://github.com/agarciadiego/watertap …

d1d4743

…into dewatering

rename BSM2 folder to full_water_resource_recovery_facility

f47a825

renamed

77daf7e

adam-a-a enabled auto-merge (squash) August 17, 2023 19:07

lbianchi-lbl mentioned this pull request Aug 17, 2023

Fix Pydantic 2 failures #1089

Merged

adam-a-a added 3 commits August 17, 2023 17:32

fix pydantic

f4afeac

fix import

438b9b0

Merge branch 'main' into dewatering

3c78ca7

adam-a-a merged commit 579b0b9 into watertap-org:main Aug 18, 2023
22 of 23 checks passed

MarcusHolly mentioned this pull request Aug 25, 2023

ADM1 Documentation Update #1116

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adam-a-a mentioned this pull request Oct 5, 2023

BSM2 tasks for September 2023 release #1165

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BSM2 full flowsheet #1038

BSM2 full flowsheet #1038

agarciadiego commented May 22, 2023 •

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adam-a-a commented Aug 17, 2023

	self.I_pH_h2 = pyo.Expression(
	self.log_I_pH_h2 = pyo.Expression(

	self.I_pH_ac = pyo.Expression(
	self.log_I_pH_ac = pyo.Expression(

BSM2 full flowsheet #1038

BSM2 full flowsheet #1038

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agarciadiego commented May 22, 2023 • edited Loading

Summary/Motivation:

Changes proposed in this PR:

Legal Acknowledgement

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adam-a-a commented Aug 17, 2023

agarciadiego commented May 22, 2023 •

edited

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