Supercritical co2 example (#69)

* Updated the HDA example exercise and solution

* Adding supercritical CO2 example

* Encorporated changes

* Cleaned up pdf plots and filenames

* Removed HDA examples

* Revert "Updated the HDA example exercise and solution"

This reverts commit 87fa04d.

* Revert "Removed HDA examples"

This reverts commit 9a62890.

* Trying with replacing files from latest clone.

* Revert "Trying with replacing files from latest clone."

This reverts commit 33909f8.

* Changing HDA files to forked version

* New notebook SCO2_alamo_surrogate in directory docs/surrogates/alamo

* New notebook supercritical_CO2_flowsheet in directory docs/surrogates/alamo

* New notebook supercritical_CO2_surrogate in directory docs/surrogates/alamo

* New notebook supercritical_CO2_surrogate in directory docs/surrogates/omlt

* New notebook supercritical_CO2_surrogate in directory docs/surrogates/pysmo

* Incorporate review suggestions

* Add new notebooks to TOC

* Missed some references, add those as links

* Missed file endings in _toc file

* Add files generated by build and run tests

* Fix test failures from misnamed references to StateBlock

* Fix test failure by improving heater initializations

* Force check-in missing saved model files

* Skip notebooks requiring ALAMO

* Fix indent

* Fix typos

* Try using actual notebooks from only ones that call training

* updated _toc.yml

* Skipping ALAMO files for testing

* Resolving conflict in _toc.yml

* Skipping using paths-ignore

* Resolving _toc conflict

* Fixed typo in _toc

* fixed paths in _toc

* Reverting to previous version of _ toc

* Reverting to previous core.yml

* Skipping ALAMO files

* Updating core.yml

* Trying to resolve test failure

* Updating the _toc.yml

* Skipping files with -k flag

* Updating the _toc.yml

* Trying with ignore blob

* Adding metadata

* Fixing .pb file

* Adding .gitattributes

* Create .gitattributes

* Removing .txt file

* Cleaning the comments

* Adding the changes

* Fixing notebook name

* fixing image path

* Fixing path for image

* Fixing path in all notebooks

* Fixing surrogate paths for pysmo

* Trying to fix path

* fixing paths

* fixing paths

* Reorganizing the files

* fixing paths

* Attempting to fix paths

* fixing pysmo path

* fixing path

* adding dummy file to add folder

* Adding sco2_keras_surr folder

* Adding pysmo_poly_surrogate.json

* fixing omlt path

* Adding files to sco2_keras_surr

* fixing paths

* Create dummy_file

* Adding variables folder

* fixing reference paths

* fixing reference paths

* adding changes

* clean up

---------

Co-authored-by: JavalVyas2000 <[email protected]>
Co-authored-by: Brandon Paul <[email protected]>
Co-authored-by: Brandon Paul <[email protected]>
Co-authored-by: Ludovico Bianchi <[email protected]>

.gitattributes

@@ -0,0 +1,10 @@
+# -text: do not apply line ending normalization
+# -merge: do not try to merge
+# `binary` can also be used corresponding to `-text -merge -diff`
+variables.data-*    -text -merge
+variables.index     -text -merge
+*.pb                -text -merge
+*.pkl               -text -merge
+*.srw               -text -merge
+*.npy               -text -merge
+*.png               -text -merge

.github/workflows/core.yml

@@ -78,7 +78,7 @@ jobs:
         run: |
           pwd
           ls idaes_examples
-          pytest -v idaes_examples
+          pytest -v idaes_examples --ignore=idaes_examples/notebooks/docs/surrogates/sco2/alamo/ 
       - name: Upload pytest-xdist worker logs
         if: success() || failure()
         uses: actions/upload-artifact@v3

idaes_examples/notebooks/_toc.yml

@@ -81,6 +81,21 @@ parts:
   - file: docs/surrogates/omlt/index
     sections:
     - file: docs/surrogates/omlt/keras_flowsheet_optimization_doc
+  - file: docs/surrogates/sco2/alamo/index
+    sections:
+    - file: docs/surrogates/sco2/alamo/alamo_training_doc
+    - file: docs/surrogates/sco2/alamo/surrogate_embedding_doc
+    - file: docs/surrogates/sco2/alamo/flowsheet_optimization_doc
+  - file: docs/surrogates/sco2/omlt/index
+    sections:
+    - file: docs/surrogates/sco2/omlt/keras_training_doc
+    - file: docs/surrogates/sco2/omlt/surrogate_embedding_doc
+    - file: docs/surrogates/sco2/omlt/flowsheet_optimization_doc
+  - file: docs/surrogates/sco2/pysmo/index
+    sections:
+    - file: docs/surrogates/sco2/pysmo/pysmo_training_doc
+    - file: docs/surrogates/sco2/pysmo/surrogate_embedding_doc
+    - file: docs/surrogates/sco2/pysmo/flowsheet_optimization_doc
 - caption: Power generation
   chapters:
   - file: docs/power_gen/supercritical/index
@@ -98,5 +113,4 @@ parts:
     # Moved this one to 'held'
     # - file: active/power_gen/ngcc/ngcc_soec_doc
     - file: active/power_gen/ngcc/ngcc_doc
-root: index
-
+root: index

idaes_examples/notebooks/docs/surrogates/sco2/alamo/alamo_surrogate.json

@@ -0,0 +1 @@
+{"surrogate": {"CO2SM_CO2_Enthalpy": " CO2SM_CO2_Enthalpy == 142.00232605043254352495 * CO2SM_Temperature + 2.5280649736985938424993 * CO2SM_Pressure**2 - 0.13788428202598035365867 * CO2SM_Temperature**2 + 0.66186633129257225506559E-004 * CO2SM_Temperature**3 - 114667.63130721540073864 * CO2SM_Pressure/CO2SM_Temperature - 428949.09007398976245895", "CO2SM_CO2_Entropy": " CO2SM_CO2_Entropy ==  - 3.9179528198356607937569 * CO2SM_Pressure + 0.51570723686001085361852 * CO2SM_Temperature + 0.17222545182333473534619 * CO2SM_Pressure**2 - 0.55969916790357242958320E-003 * CO2SM_Temperature**2 - 0.21077870265129327632947E-002 * CO2SM_Pressure**3 + 0.24061231665087056461711E-006 * CO2SM_Temperature**3 - 0.10420555302271612869991E-002 * CO2SM_Pressure*CO2SM_Temperature - 363.27314562306145262482 * CO2SM_Pressure/CO2SM_Temperature - 0.20456756625658267800816 * CO2SM_Temperature/CO2SM_Pressure - 116.67325766759245198045"}, "input_labels": ["CO2SM_Pressure", "CO2SM_Temperature"], "output_labels": ["CO2SM_CO2_Enthalpy", "CO2SM_CO2_Entropy"], "input_bounds": {"CO2SM_Pressure": [7.460891, 34.993814], "CO2SM_Temperature": [306.215965, 999.971989]}}

idaes_examples/notebooks/docs/surrogates/sco2/alamo/flowsheet_optimization.py

@@ -0,0 +1,260 @@
+###############################################################################
+# The Institute for the Design of Advanced Energy Systems Integrated Platform
+# Framework (IDAES IP) was produced under the DOE Institute for the
+# Design of Advanced Energy Systems (IDAES).
+#
+# Copyright (c) 2018-2023 by the software owners: The Regents of the
+# University of California, through Lawrence Berkeley National Laboratory,
+# National Technology & Engineering Solutions of Sandia, LLC, Carnegie Mellon
+# University, West Virginia University Research Corporation, et al.
+# All rights reserved.  Please see the files COPYRIGHT.md and LICENSE.md
+# for full copyright and license information.
+###############################################################################
+
+'''
+Maintainer: Javal Vyas
+Author: Javal Vyas
+Updated: 2024-01-24
+'''
+
+"""
+
+SCO2 baseline cycle from the NETL baseline report
+
+Case Baseline620 - Turbine inlet temperature 893.15 K (620 C).
+Case Basleine760 - Turbine inlet temperature 1033.15 K (760 C).
+
+"""
+from pyomo.environ import (ConcreteModel,
+                           Block,
+                           Var,
+                           Param,
+                           Constraint,
+                           SolverFactory,
+                           TransformationFactory, TerminationCondition,
+                           value, Expression, minimize, units)
+from pyomo.network import Arc, SequentialDecomposition
+
+# Import IDAES libraries
+from idaes.core import FlowsheetBlock, UnitModelBlockData
+from idaes.models.unit_models import (Mixer, MomentumMixingType,
+                                              PressureChanger, Heater,
+                                              Separator, HeatExchanger)
+from idaes.models.unit_models.pressure_changer import ThermodynamicAssumption
+from idaes.core.util.model_statistics import degrees_of_freedom
+from idaes.core.util.initialization import propagate_state
+from properties import SCO2ParameterBlock
+import idaes.logger as idaeslog
+
+def main():
+    # Setup solver and options
+    solver = SolverFactory('ipopt')
+    outlvl = 0
+    tee = True
+
+    # Set up concrete model
+    m = ConcreteModel()
+
+    # Create a flowsheet block
+    m.fs = FlowsheetBlock(dynamic=False)
+
+    # Create the properties param block
+    m.fs.properties = SCO2ParameterBlock()
+
+    # Add unit models to the flowsheet
+    m.fs.boiler = Heater(dynamic=False,property_package= m.fs.properties,has_pressure_change=True)
+
+    m.fs.turbine = PressureChanger(dynamic=False,
+                 property_package= m.fs.properties,
+                 compressor=False,
+                 thermodynamic_assumption=ThermodynamicAssumption.isentropic)
+
+    m.fs.HTR_pseudo_shell = Heater(dynamic= False,
+                                            property_package= m.fs.properties,
+                                            has_pressure_change= True)
+
+    m.fs.HTR_pseudo_tube = Heater(dynamic=False,
+                                           property_package= m.fs.properties,
+                                           has_pressure_change= True)
+
+    m.fs.LTR_pseudo_shell = Heater(dynamic= False,
+                                            property_package= m.fs.properties,
+                                            has_pressure_change=True)
+
+    m.fs.LTR_pseudo_tube = Heater(dynamic= False,
+                                           property_package= m.fs.properties,
+                                           has_pressure_change=True)
+
+    m.fs.splitter_1 = Separator(property_package= m.fs.properties,
+                                         outlet_list= ["bypass", "to_cooler"])
+
+    m.fs.co2_cooler = Heater(dynamic= False,
+                                      property_package=m.fs.properties,
+                                      has_pressure_change= True)
+
+    m.fs.main_compressor = PressureChanger(dynamic= False,
+                 property_package= m.fs.properties,
+                 compressor= True,
+                 thermodynamic_assumption= ThermodynamicAssumption.isentropic)
+
+    m.fs.bypass_compressor = PressureChanger(dynamic= False,
+                 property_package= m.fs.properties,
+                 compressor= True,
+                 thermodynamic_assumption= ThermodynamicAssumption.isentropic)
+
+    m.fs.splitter_2 = Separator(property_package= m.fs.properties,
+                                         ideal_separation= False,
+                                         outlet_list= ["to_FG_cooler",
+                                                         "to_LTR"])
+
+    m.fs.FG_cooler = Heater(dynamic= False,
+                                     property_package= m.fs.properties,
+                                     has_pressure_change= True)
+
+    m.fs.mixer = Mixer(property_package= m.fs.properties,
+                                inlet_list=["FG_out", "LTR_out", "bypass"])
+
+    # # Connect the flowsheet
+    m.fs.s01 = Arc(source=m.fs.boiler.outlet,
+                   destination=m.fs.turbine.inlet)
+    m.fs.s02 = Arc(source=m.fs.turbine.outlet,
+                   destination=m.fs.HTR_pseudo_shell.inlet)
+    m.fs.s03 = Arc(source=m.fs.HTR_pseudo_shell.outlet,
+                   destination=m.fs.LTR_pseudo_shell.inlet)
+    m.fs.s04 = Arc(source=m.fs.LTR_pseudo_shell.outlet,
+                   destination=m.fs.splitter_1.inlet)
+    m.fs.s05 = Arc(source=m.fs.splitter_1.to_cooler,
+                   destination=m.fs.co2_cooler.inlet)
+    m.fs.s06 = Arc(source=m.fs.splitter_1.bypass,
+                   destination=m.fs.bypass_compressor.inlet)
+    m.fs.s07 = Arc(source=m.fs.co2_cooler.outlet,
+                   destination=m.fs.main_compressor.inlet)
+    m.fs.s08 = Arc(source=m.fs.bypass_compressor.outlet,
+                   destination=m.fs.mixer.bypass)
+    m.fs.s09 = Arc(source=m.fs.main_compressor.outlet,
+                   destination=m.fs.splitter_2.inlet)
+    m.fs.s10 = Arc(source=m.fs.splitter_2.to_FG_cooler,
+                   destination=m.fs.FG_cooler.inlet)
+    m.fs.s11 = Arc(source=m.fs.splitter_2.to_LTR,
+                   destination=m.fs.LTR_pseudo_tube.inlet)
+    m.fs.s12 = Arc(source=m.fs.LTR_pseudo_tube.outlet,
+                   destination=m.fs.mixer.LTR_out)
+    m.fs.s13 = Arc(source=m.fs.FG_cooler.outlet,
+                   destination=m.fs.mixer.FG_out)
+    m.fs.s14 = Arc(source=m.fs.mixer.outlet,
+                   destination=m.fs.HTR_pseudo_tube.inlet)
+
+    # NETL Baseline
+    m.fs.boiler.inlet.flow_mol.fix(121.1)
+    m.fs.boiler.inlet.temperature.fix(685.15)
+    m.fs.boiler.inlet.pressure.fix(34.51)
+
+    m.fs.boiler.outlet.temperature.fix(893.15)  # Turbine inlet T = 620 C
+    m.fs.boiler.deltaP.fix(-0.21)
+
+    m.fs.boiler.initialize(outlvl=outlvl)
+
+    propagate_state(m.fs.s01)
+
+    m.fs.turbine.ratioP.fix(1/3.68)
+    m.fs.turbine.efficiency_isentropic.fix(0.927)
+    m.fs.turbine.initialize(outlvl=outlvl)
+
+    propagate_state(m.fs.s02)
+    m.fs.HTR_pseudo_shell.outlet.temperature.fix(489.15)
+    m.fs.HTR_pseudo_shell.deltaP.fix(-0.07)
+
+    m.fs.HTR_pseudo_shell.initialize(outlvl=outlvl)
+
+
+    propagate_state(m.fs.s03)
+
+    m.fs.LTR_pseudo_shell.outlet.temperature.fix(354.15)
+    m.fs.LTR_pseudo_shell.deltaP.fix(-0.07)
+    m.fs.LTR_pseudo_shell.initialize(outlvl=outlvl)
+
+
+    propagate_state(m.fs.s04)
+    m.fs.splitter_1.split_fraction[0, "bypass"].fix(0.25)
+
+    m.fs.splitter_1.initialize(outlvl=outlvl)
+
+    propagate_state(m.fs.s05)
+    m.fs.co2_cooler.outlet.temperature.fix(308.15)
+    m.fs.co2_cooler.deltaP.fix(-0.07)
+    m.fs.co2_cooler.initialize(outlvl=outlvl)
+
+
+    propagate_state(m.fs.s06)
+    m.fs.bypass_compressor.efficiency_isentropic.fix(0.85)
+    m.fs.bypass_compressor.ratioP.fix(3.8)
+    m.fs.bypass_compressor.initialize(outlvl=outlvl)
+
+    propagate_state(m.fs.s07)
+    m.fs.main_compressor.efficiency_isentropic.fix(0.85)
+    m.fs.main_compressor.ratioP.fix(3.8)
+    m.fs.main_compressor.initialize(outlvl=outlvl)
+
+    propagate_state(m.fs.s09)
+
+    m.fs.splitter_2.split_fraction[0, "to_FG_cooler"].fix(0.046)
+    m.fs.splitter_2.initialize(outlvl=outlvl)
+
+    propagate_state(m.fs.s10)
+    m.fs.FG_cooler.outlet.temperature.fix(483.15)
+    m.fs.FG_cooler.deltaP.fix(-0.06)
+    m.fs.FG_cooler.initialize(outlvl=outlvl)
+
+
+    propagate_state(m.fs.s11)
+
+    m.fs.LTR_pseudo_tube.deltaP.fix(0)  
+    m.fs.LTR_pseudo_tube.heat_duty[0].\
+        fix(-value(m.fs.LTR_pseudo_shell.heat_duty[0]))
+    m.fs.LTR_pseudo_tube.initialize(outlvl=outlvl)
+
+    # Add constraint heats of the LTR_pseudo shell and tube
+    m.fs.LTR_pseudo_tube.heat_duty[0].unfix()
+    m.fs.c1 = Constraint(expr=m.fs.LTR_pseudo_shell.heat_duty[0] ==
+                         -m.fs.LTR_pseudo_tube.heat_duty[0])
+
+    propagate_state(m.fs.s08)
+    propagate_state(m.fs.s12)
+    propagate_state(m.fs.s13)
+
+    m.fs.mixer.initialize(outlvl=outlvl)
+
+    propagate_state(m.fs.s14)
+
+    m.fs.HTR_pseudo_tube.heat_duty[0].\
+        fix(-value(m.fs.HTR_pseudo_shell.heat_duty[0]))
+    m.fs.HTR_pseudo_tube.deltaP.fix(-0.07)
+    m.fs.HTR_pseudo_tube.initialize(outlvl=outlvl)
+
+    m.fs.HTR_pseudo_tube.heat_duty[0].unfix()
+    m.fs.c2 = Constraint(expr=m.fs.HTR_pseudo_shell.heat_duty[0] ==
+                         -m.fs.HTR_pseudo_tube.heat_duty[0])
+
+    TransformationFactory("network.expand_arcs").apply_to(m.fs)
+
+    print("--------------------------------------------------------------------")
+    print("The degrees of freedom for the flowsheet is ", degrees_of_freedom(m))
+    print("--------------------------------------------------------------------")
+
+    solver.solve(m, tee=tee)
+
+    #
+    from idaes.core.util.units_of_measurement import convert_quantity_to_reporting_units,report_quantity
+    # Print reports
+    for i in m.fs.component_objects(Block):
+        if isinstance(i, UnitModelBlockData):
+            i.report()
+
+    # Converting units for readability
+    print(-1*value(units.convert(m.fs.turbine.work_mechanical[0],units.kW))\
+        -1*value(units.convert(m.fs.main_compressor.work_mechanical[0],units.kW))\
+        -1*value(units.convert(m.fs.bypass_compressor.work_mechanical[0],units.kW)),units.kW)
+    return m
+
+if __name__ == "__main__":
+    m = main()

idaes_examples/notebooks/docs/surrogates/sco2/alamo/index.md

@@ -0,0 +1 @@
+# Supercritical CO2 ALAMO Surrogates