add crystallizer flowsheet #1482

ElmiraShamlou · 2024-08-20T18:52:57Z

add three crystallizer flowsheets

MVC with crystallizer
Crystallizer with chiller and condenser (no heat recovery)
TVC with crystallizer

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watertap/flowsheets/crystallization/crystallizer_MVR.py

adam-a-a · 2024-09-11T13:49:10Z

watertap/flowsheets/crystallization/Crystallizer_MVR.py

+from idaes.core import UnitModelCostingBlock
+
+from watertap.property_models.unit_specific import cryst_prop_pack as props
+from watertap.unit_models.Crystallizer_revised import Crystallization


I am interested to see how the revised form differs from the original. For one, I would prefer to have the revised version condensed within the original, accessible through config options, assuming there is considerable overlap in code. Waiting to see this unit model file to determine that.

I suppose you can get rid of Crystallizer_revised and just use the revised original now, right?

…l file

adam-a-a

Here are some initial comments from a first pass

adam-a-a · 2024-10-25T02:35:48Z

watertap/costing/unit_models/crystallizer.py


    costing = blk.parent_block()
-    costing.register_flow_type("steam", blk.steam_cost)
+    #costing.register_flow_type("steam", blk.steam_cost)


delete commented code

adam-a-a · 2024-10-25T02:37:57Z

watertap/costing/unit_models/crystallizer.py

-    blk.costing_package.cost_flow(
-        pyo.units.convert(
-            (
-                blk.unit_model.magma_circulation_flow_vol
-                * blk.unit_model.dens_mass_slurry
-                * Constants.acceleration_gravity
-                * blk.costing_package.crystallizer.pump_head_height
-                / blk.costing_package.crystallizer.efficiency_pump
-            ),
-            to_units=pyo.units.kW,
-        ),
-        "electricity",
-    )
-
-    blk.costing_package.cost_flow(
-        pyo.units.convert(
-            (blk.unit_model.work_mechanical[0] / _compute_steam_properties(blk)),
-            to_units=pyo.units.m**3 / pyo.units.s,
-        ),
-        "steam",
-    )


Curious about why these lines are being deleted. I probably didn't look closely enough, but have they been moved elsewhere or completely removed? And why?

@adam-a-a They are removed as we integrate the steam heater, pump, and other essential components into the full FC crystallizer flowsheet. Therefore, the flow rates of the steam and recycle streams, along with their associated costs, are incorporated within the cost calculations of the steam heater and pump unit models.

@ElmiraShamlou but removing this hinders whoever wants to use the combined unit we had previously.

Maybe what we need is a configuration argument that determines the mode the user wants (broken down or combined), and then adds the necessary equations for each case?

adam-a-a · 2024-10-25T02:38:56Z

watertap/costing/unit_models/crystallizer.py

    _cost_crystallizer_flows(blk)
-
-
-def _compute_steam_properties(blk):


Same question here, except it makes more sense immediately as to why we wouldn't want/need this in a costing module

this should really be part of the property package

watertap/flowsheets/crystallization/crystallizer_MVR.py

adam-a-a · 2024-10-25T02:41:00Z

watertap/flowsheets/crystallization/crystallizer_MVR.py

+    m.fs.distillate = Product(property_package= m.fs.properties_vapor)
+
+
+    # unit models: steam heater, mixer, pump, crystalizer, compressor, separator


Suggested change

# unit models: steam heater, mixer, pump, crystalizer, compressor, separator

# unit models: steam heater, mixer, pump, crystallizer, compressor, separator

adam-a-a · 2024-10-25T03:01:17Z

watertap/unit_models/crystallizer.py

-        )
-
+        """
+            self.work_mechanical = Var(


I'm surprised to see no tests fail for the crystallizer unit especially since no changes were made to the test file.

The tests are failing, and I'm revising them to align with the recent changes.

adam-a-a · 2024-10-25T03:04:24Z

watertap/flowsheets/crystallization/crystallizer_live_steam_with_condenser_chiller.py

+
+    optimize_set_up(m)
+
+    #interval_initializer(m)


I am guessing that an InfeasibleConstraint exception (or something like that) arises when using the interval initializer.

adam-a-a · 2024-10-25T03:06:29Z

watertap/flowsheets/crystallization/crystallizer_live_steam_with_condenser_chiller.py

@@ -0,0 +1,508 @@
+#################################################################################


Next step is to add (1) a test file for this flowsheet and (2) documentation for this flowsheet in this section: https://watertap.readthedocs.io/en/latest/technical_reference/flowsheets/index.html

adam-a-a · 2024-10-25T03:06:40Z

watertap/flowsheets/crystallization/crystallizer_MVR.py

@@ -0,0 +1,444 @@
+#################################################################################


Next step is to add (1) a test file for this flowsheet and (2) documentation for this flowsheet in this section: https://watertap.readthedocs.io/en/latest/technical_reference/flowsheets/index.html

adam-a-a · 2024-10-25T03:06:57Z

watertap/flowsheets/crystallization/Crystallizer_MVR.py

+#from watertap.core.util.model_debug_mode import activate
+#activate()


ksbeattie · 2025-05-22T20:27:02Z

This is waiting on NAWI funds for work to continue.

ksbeattie · 2025-08-14T20:59:50Z

@ElmiraShamlou and this one too?

…cryst_flowsheet

…tions

…s/chemials

…tertap into pr/ElmiraShamlou/1482

kurbansitterley · 2025-09-12T20:39:13Z

I made these changes initially because the flowsheet wasn't working and I have a student that wants to use it. But also my changes match our conventions.

I reverted @adam-a-a 's modifications for steam costing where steam_cost was on the main costing block (e.g., m.fs.costing). I don't think we want to cost steam this way. Instead, models that use steam have their own build_steam_cost_param_block that results in the steam cost being at m.fs.costing.steam.cost. This matches how we cost materials for other units (though I just checked and it appears electroNP uses the old convention).

In making these changes, I discovered that we have two models that use a steam cost with different units: heat_exchanger uses $/kg but surrogate_crystallizer uses $/m3. Right now, if these two units were on the same flowsheet, one or the other would run into errors. This could be fixed by either changing the expression used to cost the steam flow or have two different steam costs e.g., steam_per_m3 and steam_per_kg. Note that this would still have been the case if I hadn't made these changes.

Crystallizer tests are failing but that was the case prior to my changes.

adam-a-a · 2025-10-01T05:03:43Z

I made these changes initially because the flowsheet wasn't working and I have a student that wants to use it. But also my changes match our conventions.

I reverted @adam-a-a 's modifications for steam costing where steam_cost was on the main costing block (e.g., m.fs.costing). I don't think we want to cost steam this way. Instead, models that use steam have their own build_steam_cost_param_block that results in the steam cost being at m.fs.costing.steam.cost. This matches how we cost materials for other units (though I just checked and it appears electroNP uses the old convention).

In making these changes, I discovered that we have two models that use a steam cost with different units: heat_exchanger uses $/kg but surrogate_crystallizer uses $/m3. Right now, if these two units were on the same flowsheet, one or the other would run into errors. This could be fixed by either changing the expression used to cost the steam flow or have two different steam costs e.g., steam_per_m3 and steam_per_kg. Note that this would still have been the case if I hadn't made these changes.

Crystallizer tests are failing but that was the case prior to my changes.

@kurbansitterley my main question here is what will currently happen when more than one unit on the flowsheet has its own build_steam_cost_param_block? What protects the user from unintentionally having different steam costs for different units when there should be a single, global steam cost (not considering the case where the user might want more than one steam cost on a flowsheet)?

kurbansitterley · 2025-12-08T23:44:32Z

I made these changes initially because the flowsheet wasn't working and I have a student that wants to use it. But also my changes match our conventions.
I reverted @adam-a-a 's modifications for steam costing where steam_cost was on the main costing block (e.g., m.fs.costing). I don't think we want to cost steam this way. Instead, models that use steam have their own build_steam_cost_param_block that results in the steam cost being at m.fs.costing.steam.cost. This matches how we cost materials for other units (though I just checked and it appears electroNP uses the old convention).
In making these changes, I discovered that we have two models that use a steam cost with different units: heat_exchanger uses $/kg but surrogate_crystallizer uses $/m3. Right now, if these two units were on the same flowsheet, one or the other would run into errors. This could be fixed by either changing the expression used to cost the steam flow or have two different steam costs e.g., steam_per_m3 and steam_per_kg. Note that this would still have been the case if I hadn't made these changes.
Crystallizer tests are failing but that was the case prior to my changes.

@kurbansitterley my main question here is what will currently happen when more than one unit on the flowsheet has its own build_steam_cost_param_block? What protects the user from unintentionally having different steam costs for different units when there should be a single, global steam cost (not considering the case where the user might want more than one steam cost on a flowsheet)?

My understanding is that register_costing_parameter_block will make this check and only create a new block if one doesn't exist for steam. I believe a critical assumption here is that the material is spelled identically. i.e., nacl and NaCl would result in two parameter blocks for NaCl. In the scenario where two units both use steam with two different costs, the cost used in the costing package would be that of the first unit costing model instantiated. Of course this could be modified at the flowsheet level with e.g., m.fs.costing.steam.cost.fix(value)

kurbansitterley · 2025-12-09T00:49:05Z

@ElmiraShamlou added tests for the new flowsheets; only testing main

ElmiraShamlou added 2 commits August 20, 2024 14:48

add crystallizer flowsheet

f52db5e

modifications

2b16d2e

ElmiraShamlou marked this pull request as draft August 21, 2024 12:33

ElmiraShamlou added 3 commits August 22, 2024 07:18

modifies costig

bd85f8a

modifies steam heater

deef8f9

modifies chiller

f4d56c0

ksbeattie added the Priority:Normal Normal Priority Issue or PR label Aug 22, 2024

ksbeattie assigned ElmiraShamlou Aug 22, 2024

ksbeattie requested review from OOAmusat, adam-a-a and carson-tucker August 22, 2024 20:15

adam-a-a reviewed Sep 11, 2024

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watertap/flowsheets/crystallization/crystallizer_MVR.py Show resolved Hide resolved

adam-a-a reviewed Sep 11, 2024

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ElmiraShamlou added 2 commits September 11, 2024 11:05

add revised crystallizer model

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add purge to MVR config

45d86d0

kurbansitterley mentioned this pull request Sep 17, 2024

Multi-effect crystallizer unit model watertap-org/watertap-reflo#121

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ElmiraShamlou added 2 commits October 1, 2024 11:38

add chiller for crystallizer vapor condensation

2358454

transfer revised crystallizer model to the original crystallizer mode…

eb4acd6

…l file

adam-a-a reviewed Oct 25, 2024

View reviewed changes

ElmiraShamlou mentioned this pull request Oct 28, 2024

MCAS w/generic crystallizer #1487

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adam-a-a added the 🍒 Merge to rel Merge commit(s) from this PR to release branch label Dec 11, 2024

Merge branch 'main' into cryst_flowsheet

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lbianchi-lbl removed the 🍒 Merge to rel Merge commit(s) from this PR to release branch label Dec 18, 2024

ElmiraShamlou and others added 4 commits January 15, 2025 16:57

Merge branch 'main' into cryst_flowsheet

06b28b1

add TVC flowsheet

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Merge branch 'main' into cryst_flowsheet

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Running black

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Merge branch 'main' of https://github.com/watertap-org/watertap into …

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…cryst_flowsheet

ElmiraShamlou and others added 8 commits September 1, 2025 18:56

add notebook

70eebef

add sweep analysis and modifies notebook distillate and steam calcula…

cdc11c1

…tions

use steam cost on global param block in costing package

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change steam costing to match watertap conventions for other material…

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…s/chemials

Merge branch 'main' into cryst_flowsheet

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black

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Merge branch 'cryst_flowsheet' of https://github.com/elmirashamlou/wa…

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…tertap into pr/ElmiraShamlou/1482

change sweep variables to match changes

7bfd853

adam-a-a mentioned this pull request Oct 1, 2025

Merge outstanding demos from IDAES+ Summit #1651

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kurbansitterley added 14 commits December 8, 2025 16:47

black

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Merge branch 'main' into cryst_flowsheet

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fix linting

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linting

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linting

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linting and add header

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clean up display

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test main for crystallizer_live_steam_with_condenser_chiller

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clean up display

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rename

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rename

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test main on crystallizer_MVR

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clean up display func

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test crystallizer TVC main

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kurbansitterley added 2 commits December 9, 2025 09:03

convert capital_cost to base_currency

139deb1

fs and test mods necessary from changing compressor costing method

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		_cost_crystallizer_flows(blk)


		def _compute_steam_properties(blk):

		m.fs.distillate = Product(property_package= m.fs.properties_vapor)


		# unit models: steam heater, mixer, pump, crystalizer, compressor, separator

		@@ -0,0 +1,508 @@
		#################################################################################

		@@ -0,0 +1,444 @@
		#################################################################################

		#from watertap.core.util.model_debug_mode import activate
		#activate()

add crystallizer flowsheet #1482

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ksbeattie commented May 22, 2025

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ElmiraShamlou commented Aug 20, 2024 •

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