Liquid liquid extractor (#91)

* Adding files * Updated _toc.yml * Updating files * adding files * applying black * Updating files * Renaming Examples * quick fix for PySimpleGUI * deleting failing test * Adding changes * Adding files with small initials * changing property package names * fixing typos * fixing typos * checking for typos * Rectifying spell errors * adding requested changes * fixing tests * adding tests * updating with changes * Update idaes_examples/notebooks/docs/unit_models/custom_unit_models/creating_unit_model.ipynb Co-authored-by: MarcusHolly <[email protected]> --------- Co-authored-by: JavalVyas2000 <[email protected]> Co-authored-by: Brandon Paul <[email protected]> Co-authored-by: Ludovico Bianchi <[email protected]> Co-authored-by: MarcusHolly <[email protected]> Co-authored-by: Andrew Lee <[email protected]>
IDAES · May 30, 2024 · 3d3723f · 3d3723f
1 parent 250c5e4
commit 3d3723f
Show file tree

Hide file tree

Showing 10 changed files with 9,550 additions and 0 deletions.
diff --git a/idaes_examples/notebooks/_toc.yml b/idaes_examples/notebooks/_toc.yml
@@ -56,6 +56,7 @@ parts:
     sections:
     - file: docs/unit_models/custom_unit_models/custom_compressor_doc
     - file: docs/unit_models/custom_unit_models/custom_heater_doc
+    - file: docs/unit_models/custom_unit_models/creating_unit_model_doc
 - caption: Property packages
   chapters:
   - file: docs/properties/index

diff --git a/idaes_examples/notebooks/docs/unit_models/custom_unit_models/creating_unit_model.ipynb b/idaes_examples/notebooks/docs/unit_models/custom_unit_models/creating_unit_model.ipynb
diff --git a/idaes_examples/notebooks/docs/unit_models/custom_unit_models/creating_unit_model_doc.ipynb b/idaes_examples/notebooks/docs/unit_models/custom_unit_models/creating_unit_model_doc.ipynb
diff --git a/idaes_examples/notebooks/docs/unit_models/custom_unit_models/creating_unit_model_test.ipynb b/idaes_examples/notebooks/docs/unit_models/custom_unit_models/creating_unit_model_test.ipynb
diff --git a/idaes_examples/notebooks/docs/unit_models/custom_unit_models/creating_unit_model_usr.ipynb b/idaes_examples/notebooks/docs/unit_models/custom_unit_models/creating_unit_model_usr.ipynb
diff --git a/...mples/notebooks/docs/unit_models/custom_unit_models/liquid_extraction/aqueous_property.py b/...mples/notebooks/docs/unit_models/custom_unit_models/liquid_extraction/aqueous_property.py
@@ -0,0 +1,218 @@
+#################################################################################
+# 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.
+#################################################################################
+
+# Import Python libraries
+import logging
+
+import idaes.logger as idaeslog
+from idaes.core.util.initialization import fix_state_vars, revert_state_vars
+
+# Import Pyomo libraries
+from pyomo.environ import (
+    Param,
+    Set,
+    Var,
+    NonNegativeReals,
+    units,
+    Expression,
+    PositiveReals,
+)
+
+# Import IDAES cores
+from idaes.core import (
+    declare_process_block_class,
+    MaterialFlowBasis,
+    PhysicalParameterBlock,
+    StateBlockData,
+    StateBlock,
+    MaterialBalanceType,
+    EnergyBalanceType,
+    Solute,
+    Solvent,
+    LiquidPhase,
+)
+from idaes.core.util.model_statistics import degrees_of_freedom
+
+# Some more information about this module
+__author__ = "Javal Vyas"
+
+# Set up logger
+_log = logging.getLogger(__name__)
+
+
+@declare_process_block_class("AqPhase")
+class AqPhaseData(PhysicalParameterBlock):
+    """
+    Property Parameter Block Class
+
+    Contains parameters and indexing sets associated with properties for
+    aqueous Phase
+
+    """
+
+    def build(self):
+        """
+        Callable method for Block construction.
+        """
+        super().build()
+
+        self._state_block_class = AqPhaseStateBlock
+
+        # List of valid phases in property package
+        self.Aq = LiquidPhase()
+
+        # Component list - a list of component identifiers
+        self.NaCl = Solute()
+        self.KNO3 = Solute()
+        self.CaSO4 = Solute()
+        self.H2O = Solvent()
+
+        # Heat capacity of solvent
+        self.cp_mass = Param(
+            mutable=True,
+            initialize=4182,
+            doc="Specific heat capacity of solvent",
+            units=units.J / units.kg / units.K,
+        )
+
+        self.dens_mass = Param(
+            mutable=True,
+            initialize=997,
+            doc="Density of ethylene dibromide",
+            units=units.kg / units.m**3,
+        )
+        self.temperature_ref = Param(
+            within=PositiveReals,
+            mutable=True,
+            default=298.15,
+            doc="Reference temperature",
+            units=units.K,
+        )
+
+    @classmethod
+    def define_metadata(cls, obj):
+        obj.add_default_units(
+            {
+                "time": units.hour,
+                "length": units.m,
+                "mass": units.g,
+                "amount": units.mol,
+                "temperature": units.K,
+            }
+        )
+
+
+class _AqueousStateBlock(StateBlock):
+    """
+    This Class contains methods which should be applied to Property Blocks as a
+    whole, rather than individual elements of indexed Property Blocks.
+    """
+
+    def fix_initialization_states(self):
+        fix_state_vars(self)
+
+
+@declare_process_block_class("AqPhaseStateBlock", block_class=_AqueousStateBlock)
+class AqPhaseStateBlockData(StateBlockData):
+    """
+    An example property package for ideal gas properties with Gibbs energy
+    """
+
+    def build(self):
+        """
+        Callable method for Block construction
+        """
+        super().build()
+        self._make_state_vars()
+
+    def _make_state_vars(self):
+        self.flow_vol = Var(
+            initialize=1,
+            domain=NonNegativeReals,
+            doc="Total volumetric flowrate",
+            units=units.L / units.hour,
+        )
+
+        self.conc_mass_comp = Var(
+            self.params.solute_set,
+            domain=NonNegativeReals,
+            initialize={"NaCl": 0.15, "KNO3": 0.2, "CaSO4": 0.1},
+            doc="Component mass concentrations",
+            units=units.g / units.L,
+        )
+
+        self.pressure = Var(
+            domain=NonNegativeReals,
+            initialize=1,
+            bounds=(0, 5),
+            units=units.atm,
+            doc="State pressure [atm]",
+        )
+
+        self.temperature = Var(
+            domain=NonNegativeReals,
+            initialize=300,
+            bounds=(273, 373),
+            units=units.K,
+            doc="State temperature [K]",
+        )
+
+        def material_flow_expression(self, j):
+            if j == "H2O":
+                return self.flow_vol * self.params.dens_mass
+            else:
+                return self.conc_mass_comp[j] * self.flow_vol
+
+        self.material_flow_expression = Expression(
+            self.component_list,
+            rule=material_flow_expression,
+            doc="Material flow terms",
+        )
+
+        def enthalpy_flow_expression(self):
+            return (
+                self.flow_vol
+                * self.params.dens_mass
+                * self.params.cp_mass
+                * (self.temperature - self.params.temperature_ref)
+            )
+
+        self.enthalpy_flow_expression = Expression(
+            rule=enthalpy_flow_expression, doc="Enthalpy flow term"
+        )
+
+    def get_flow_rate(self):
+        return self.flow_vol
+
+    def get_material_flow_terms(self, p, j):
+        return self.material_flow_expression[j]
+
+    def get_enthalpy_flow_terms(self, p):
+        return self.enthalpy_flow_expression
+
+    def default_material_balance_type(self):
+        return MaterialBalanceType.componentTotal
+
+    def default_energy_balance_type(self):
+        return EnergyBalanceType.enthalpyTotal
+
+    def define_state_vars(self):
+        return {
+            "flow_vol": self.flow_vol,
+            "conc_mass_comp": self.conc_mass_comp,
+            "temperature": self.temperature,
+            "pressure": self.pressure,
+        }
+
+    def get_material_flow_basis(self):
+        return MaterialFlowBasis.mass
diff --git a/...ooks/docs/unit_models/custom_unit_models/liquid_extraction/liq_liq_extractor_flowsheet.py b/...ooks/docs/unit_models/custom_unit_models/liquid_extraction/liq_liq_extractor_flowsheet.py
@@ -0,0 +1,87 @@
+#################################################################################
+# 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.
+#################################################################################
+'''
+    The below is an implementation of a flowsheet for liquid liquid extractor. 
+    The unit model uses two property packages for two liquid fluids
+'''
+import pyomo.environ as pyo
+from idaes.core.solvers import get_solver
+from idaes.core.initialization.block_triangularization import (
+    BlockTriangularizationInitializer,
+)
+from idaes.core import FlowsheetBlock
+from idaes_examples.notebooks.docs.unit_models.custom_unit_models.liquid_extraction.organic_property import OrgPhase
+from idaes_examples.notebooks.docs.unit_models.custom_unit_models.liquid_extraction.aqueous_property import AqPhase
+from idaes_examples.notebooks.docs.unit_models.custom_unit_models.liquid_extraction.liquid_liquid_extractor import LiqExtraction
+
+
+def build_model(m):
+    m.fs.org_properties = OrgPhase()
+    m.fs.aq_properties = AqPhase()
+
+    m.fs.lex = LiqExtraction(
+        dynamic=False,
+        has_pressure_change=False,
+        organic_property_package=m.fs.org_properties,
+        aqueous_property_package=m.fs.aq_properties,
+    )
+
+def fix_initial_state(m):
+    m.fs.lex.organic_inlet.flow_vol.fix(80 * pyo.units.L / pyo.units.hour)
+    m.fs.lex.organic_inlet.temperature.fix(300 * pyo.units.K)
+    m.fs.lex.organic_inlet.pressure.fix(1 * pyo.units.atm)
+    m.fs.lex.organic_inlet.conc_mass_comp[0, "NaCl"].fix(1e-6 * pyo.units.g / pyo.units.L)
+    m.fs.lex.organic_inlet.conc_mass_comp[0, "KNO3"].fix(1e-6 * pyo.units.g / pyo.units.L)
+    m.fs.lex.organic_inlet.conc_mass_comp[0, "CaSO4"].fix(1e-6 * pyo.units.g / pyo.units.L)
+
+    m.fs.lex.aqueous_inlet.flow_vol.fix(100 * pyo.units.L / pyo.units.hour)
+    m.fs.lex.aqueous_inlet.temperature.fix(300 * pyo.units.K)
+    m.fs.lex.aqueous_inlet.pressure.fix(1 * pyo.units.atm)
+    m.fs.lex.aqueous_inlet.conc_mass_comp[0, "NaCl"].fix(0.15 * pyo.units.g / pyo.units.L)
+    m.fs.lex.aqueous_inlet.conc_mass_comp[0, "KNO3"].fix(0.2 * pyo.units.g / pyo.units.L)
+    m.fs.lex.aqueous_inlet.conc_mass_comp[0, "CaSO4"].fix(0.1 * pyo.units.g / pyo.units.L)
+
+    # The below changes are done because the same property package is used to demonstrate diagnostics
+    # The diagnostics section is illustrated using the below example.
+    m.fs.org_properties.diffusion_factor["NaCl"] = (
+        m.fs.org_properties.diffusion_factor["NaCl"] / 100
+    )
+    m.fs.org_properties.diffusion_factor["KNO3"] = (
+        m.fs.org_properties.diffusion_factor["KNO3"] / 100
+    )
+    m.fs.org_properties.diffusion_factor["CaSO4"] = (
+        m.fs.org_properties.diffusion_factor["CaSO4"] / 100
+    )
+
+    m.fs.lex.organic_phase.properties_in[0.0].pressure.setlb(0.5)
+    m.fs.lex.organic_phase.properties_out[0.0].pressure.setlb(0.5)
+
+def initialize_model(m):
+    initializer = BlockTriangularizationInitializer()
+    initializer.initialize(m.fs.lex)
+
+def solve_model(m):
+    solver = get_solver()
+    results = solver.solve(m, tee=True)
+
+def main():
+    m = pyo.ConcreteModel(name="NGFC no CCS")
+    m.fs = FlowsheetBlock(dynamic=False)
+    build_model(m)
+    fix_initial_state(m)
+    initialize_model(m)
+    solve_model(m)
+
+if __name__=='__main__':
+    main()
+