Merge remote-tracking branch 'upstream/main'

Author: dangunter

.github/actions/run-examples/examples_for_idaes_ci.py

@@ -1,6 +1,7 @@
 """
 pytest plugin for testing IDAES "through" IDAES/examples within the IDAES/idaes-pse CI
 """
+
 from contextlib import contextmanager
 from dataclasses import dataclass, field
 import fnmatch

.github/workflows/typos.toml

@@ -36,6 +36,9 @@ equil = "equil"
 astroid = "astroid"
 # delt == delta
 delt = "delt"
+# Minimal Infeasible System
+mis = "mis"
+MIS = "MIS"
 # TEMPORARY - Remove after example update
 upadate = "upadate"
 
@@ -44,4 +47,4 @@ RTO = "RTO"
 PN = "PN"
 hd = "hd"
 Tge = "Tge"
-iy = "iy"
+iy = "iy"

.pre-commit-config.yaml

@@ -1,6 +1,6 @@
 repos:
   - repo: https://github.com/psf/black
-    rev: 22.3.0
+    rev: 24.3.0
     hooks:
     - id: black
       language_version: python3

.pylint/idaes_transform.py

@@ -4,6 +4,7 @@
 
 See #1159 for more information.
 """
+
 from dataclasses import dataclass
 import sys
 import functools

.pylint/pylintrc

@@ -19,7 +19,7 @@ disable=no-self-argument,
     arguments-differ,
     abstract-method,
     arguments-renamed,
-    unused-argument,  # w have cases where a general high level method passes arguments that simpler methods do not need
+    unused-argument,  # we have cases where a general high level method passes arguments that simpler methods do not need
     redefined-outer-name,
     anomalous-backslash-in-string,
     unspecified-encoding,
@@ -29,6 +29,7 @@ disable=no-self-argument,
     too-many-lines,
     use-implicit-booleaness-not-comparison,  # implicit booleaness can be hard to follow
     consider-using-f-string,  # should fix, but a lot of effort
+    no-member,  # Triggers many false positives from Pyomo due to diamond structure
 
 [IMPORTS]
 ignored-modules=cvalsim,almsim

docs/reference_guides/core/var_like_expr.rst

@@ -20,6 +20,6 @@ In these cases, it is possible that a user might mistake the `Expression` for a
 .. autoclass:: IndexedVarLikeExpression
   :members:
 
-.. autoclass:: _GeneralVarLikeExpressionData
+.. autoclass:: VarLikeExpressionData
   :members:
 

docs/reference_guides/model_libraries/power_generation/unit_models/cross_flow_heat_exchanger_1D.rst

@@ -0,0 +1,276 @@
+Heater1D
+========
+
+.. index::
+  pair: idaes.models_extra.power_generation.unit_models.heater_1D;Heater1D
+
+.. module:: idaes.models_extra.power_generation.unit_models.heater_1D
+
+This model is for a gas trim heater modeled as gas being blown perpendicularly across banks of hollow tubes,
+which are heated by resistive heating. Note that the ``finite_elements`` option in the control
+volume config should be set to an integer factor of ``number_passes`` in order for the
+discretization equations to make sense as a cross-flow heat exchanger.
+
+Example
+-------
+
+.. code-block:: python
+
+    import pyomo.environ as pyo
+
+    from idaes.core import FlowsheetBlock
+    import idaes.core.util.scaling as iscale
+    from idaes.models.properties.modular_properties import GenericParameterBlock
+    from idaes.models_extra.power_generation.properties.natural_gas_PR import (
+        get_prop,
+        EosType,
+    )
+    from idaes.models_extra.power_generation.unit_models import Heater1D
+    from idaes.core.util.model_statistics import degrees_of_freedom
+
+    optarg = {
+        "constr_viol_tol": 1e-8,
+        "nlp_scaling_method": "user-scaling",
+        "linear_solver": "ma57",
+        "OF_ma57_automatic_scaling": "yes",
+        "max_iter": 350,
+        "tol": 1e-8,
+        "halt_on_ampl_error": "no",
+    }
+
+    m = pyo.ConcreteModel()
+    m.fs = FlowsheetBlock(dynamic=False)
+    m.fs.h2_side_prop_params = GenericParameterBlock(
+        **get_prop(["H2", "H2O", "Ar", "N2"], {"Vap"}, eos=EosType.IDEAL),
+        doc="H2O + H2 gas property parameters",
+    )
+    m.fs.heater = Heater1D(
+        property_package=m.fs.h2_side_prop_params,
+        has_holdup=True,
+        dynamic=False,
+        has_fluid_holdup=False,
+        has_pressure_change=pressure_drop,
+        finite_elements=4,
+        tube_arrangement="in-line",
+        transformation_method="dae.finite_difference",
+        transformation_scheme="BACKWARD",
+    )
+
+    heater = m.fs.heater
+
+    heater.inlet.flow_mol.fix(5102.5)
+    heater.inlet.temperature.fix(938.83)
+    heater.inlet.pressure.fix(1.2e5)
+    heater.inlet.mole_frac_comp[0, "H2"].fix(0.57375)
+    heater.inlet.mole_frac_comp[0, "H2O"].fix(0.42517)
+    heater.inlet.mole_frac_comp[0, "Ar"].fix(0.00086358)
+    heater.inlet.mole_frac_comp[0, "N2"].fix(0.00021589)
+
+    heater.di_tube.fix(0.0525018)
+    heater.thickness_tube.fix(0.0039116)
+    heater.pitch_x.fix(0.1)
+    heater.pitch_y.fix(0.1)
+    heater.length_tube_seg.fix(10)
+    heater.number_passes.fix(1)
+    heater.rfouling = 0.0001
+    heater.fcorrection_htc_shell.fix(1)
+    heater.cp_wall = 502.4
+    if pressure_drop:
+        heater.fcorrection_dp_shell.fix(1)
+
+    heater.number_columns_per_pass.fix(40)
+    heater.number_rows_per_pass.fix(40)
+    heater.electric_heat_duty.fix(3.6504e06)
+
+    pp = m.fs.h2_side_prop_params
+    pp.set_default_scaling("enth_mol_phase", 1e-3)
+    pp.set_default_scaling("pressure", 1e-5)
+    pp.set_default_scaling("temperature", 1e-2)
+    pp.set_default_scaling("flow_mol", 1e-3)
+
+    _mf_scale = {
+        "H2": 1,
+        "H2O": 1,
+        "N2": 10,
+        "Ar": 10,
+    }
+    for comp, s in _mf_scale.items():
+        pp.set_default_scaling("mole_frac_comp", s, index=comp)
+        pp.set_default_scaling("mole_frac_phase_comp", s, index=("Vap", comp))
+        pp.set_default_scaling("flow_mol_phase_comp", s * 1e-3, index=("Vap", comp))
+
+    shell = heater.control_volume
+    iscale.set_scaling_factor(shell.area, 1e-1)
+    iscale.set_scaling_factor(shell.heat, 1e-6)
+    iscale.set_scaling_factor(shell.enthalpy_flow_dx, 1e-7)
+    iscale.set_scaling_factor(heater.heat_holdup, 1e-8)
+
+    iscale.calculate_scaling_factors(m)
+
+    initializer = m.fs.heat_exchanger.default_initializer(
+            solver="ipopt",
+            solver_options=optarg
+    )
+    initializer.initialize(m.fs.heat_exchanger)
+
+  
+  
+
+Heater Geometry
+---------------
+=========================== =========== =============================================================================================
+Variable                    Index Sets  Doc
+=========================== =========== =============================================================================================
+``number_columns_per_pass`` None        Number of columns of tube per pass
+``number_rows_per_pass``    None        Number of rows of tube per pass
+``number_passes``           None        Number of tube banks of ``nrow_tube * ncol_inlet`` tubes
+``pitch_x``                 None        Distance between tubes parallel to flow, measured from center-of-tube to center-of-tube
+``pitch_y``                 None        Distance between tubes perpendicular to flow, measured from center-of-tube to center-of-tube
+``length_tube_seg``         None        Length of tube segment perpendicular to flow in each pass
+``area_flow_shell``         None        Reference to flow area on control volume
+``length_flow_shell``       None        Reference to flow length on control volume
+``area_flow_shell_min``     None        Minimum flow area on shell side
+``di_tube``                 None        Inner diameter of tubes
+``thickness_tube``          None        Thickness of tube wall.
+=========================== =========== =============================================================================================
+
+============================ =========== ===========================================================================
+Expression                   Index Sets  Doc
+============================ =========== ===========================================================================
+``nrow_tube``                None        Total number of rows of tube
+``do_tube``                  None        Outer diameter of tube (equal to ``di_tube+2*thickness_tube``)
+``pitch_x_to_do``            None        Ratio of ``pitch_x`` to ``do_tube``
+``pitch_y_to_do``            None        Ratio of ``pitch_y`` to ``do_tube``
+``area_wall_seg``            None        Total cross-sectional area of tube per pass
+``total_heat_transfer_area`` None        Total heat transfer area, as measured on outer surface of tubes
+============================ =========== ===========================================================================
+
+=========================== =========== =================================================================================================
+Constraint                  Index Sets  Doc
+=========================== =========== =================================================================================================
+``length_flow_shell_eqn``   None        Constrains flow length from control volume to equal value implied by geometry
+``area_flow_shell_eqn``     None        Constrains flow cross-sectional area from control volume to equal value implied by geometry
+``area_flow_shell_min_eqn`` None        Constraints ``area_flow_shell_min`` to equal value determined by geometry
+=========================== =========== =================================================================================================
+
+Performance Equations
+-----------------------
+
+================================== ============ =================================================================================
+Variable                           Index Sets   Doc
+================================== ============ =================================================================================
+``electric_heat_duty``             time         Electric heat duty supplied to entire heater unit
+``fcorrection_htc_shell``          time, length Correction factor for convective heat transfer
+``conv_heat_transfer_coeff_shell`` time, length Convective heat transfer coefficient
+``temp_wall_shell``                time, length Wall temperature of tube
+``temp_wall_center``               time, length Temperature at center of tube wall
+``v_shell``                        time, length Flow velocity through minimum area
+``N_Re_shell``                     time, length Reynolds number
+``N_Nu_shell``                     time, length Nusselt number
+================================== ============ =================================================================================
+
+=========================== =========== =================================================================================
+Parameter                   Index Sets  Doc
+=========================== =========== =================================================================================
+``therm_cond_wall``         None        Thermal conductivity of tube wall
+``density_wall``            None        Mass density of tube wall metal
+``cp_wall``                 None        Tube wall heat capacity (mass basis)
+``rfouling_shell``          None        Fouling resistance on shell side
+``f_arrangement``           None        Adjustment factor depending on ``tube_arrangement`` in config
+=========================== =========== =================================================================================
+
+====================================== ============ =================================================================================
+Constraint                             Index Sets   Doc
+====================================== ============ =================================================================================
+``v_shell_eqn``                        time, length Calculates velocity of flow through shell using ``area_flow_shell_min``
+``N_Re_shell_eqn``                     time, length Calculates the Reynolds number
+``conv_heat_transfer_coeff_shell_eqn`` time, length Calculates the convective heat transfer coefficient 
+``N_Nu_shell_eqn``                     time, length Calculate the Nusselt number
+``heat_shell_eqn``                     time, length Calculates heat transfer per unit length
+``temp_wall_shell_eqn``                time, length Calculate the wall temperature of the outer tube
+``temp_wall_center_eqn``               time, length Overall energy balance on tube metal
+====================================== ============ =================================================================================
+
+====================================== ============ ===================================================================================
+Expression                             Index Sets   Doc
+====================================== ============ ===================================================================================
+``total_heat_transfer_coeff_shell``    time         Returns ``conv_heat_transfer_coeff_shell``. Could be extended to include radiation.
+====================================== ============ ===================================================================================
+
+Pressure Change Equations
+-------------------------
+
+=========================== ============ =================================================================================
+Parameter                    Index Sets   Doc
+=========================== ============ =================================================================================
+``fcorrection_dp_shell``    None         Correction factor for pressure drop
+=========================== ============ =================================================================================
+
+=========================== ============ =================================================================================
+Variable                    Index Sets   Doc
+=========================== ============ =================================================================================
+``fcorrection_dp_shell``    None         Correction factor for pressure drop
+``friction_factor_shell``   time, length Friction factor
+=========================== ============ =================================================================================
+
+================================== ============ =================================================================================
+Constraint                         Index Sets   Doc
+================================== ============ =================================================================================
+``friction_factor_shell_eqn``      time, length Calculates the friction factor
+``deltaP_shell_eqn``               time, length Sets ``deltaP_shell`` based on the friction factor and physical properties
+================================== ============ =================================================================================
+
+
+Holdup Equations
+----------------
+
+Created when ``has_holdup=True`` in the config.
+
+=========================== ============ =================================================================================
+Variable                    Index Sets   Doc
+=========================== ============ =================================================================================
+``heat_holdup``             time, length Energy holdup per unit length of flow path
+=========================== ============ =================================================================================
+
+=========================== ============ =================================================================================
+Constraint                  Index Sets   Doc
+=========================== ============ =================================================================================
+``heat_holdup_eqn``         time, length Defines heat holdup in terms of geometry and physical properties
+=========================== ============ =================================================================================
+
+Dynamic Equations
+-----------------
+
+Created when ``dynamic=True`` in the config.
+
+=========================== ============ =================================================================================
+Derivative Variable         Index Sets   Doc
+=========================== ============ =================================================================================
+``heat_accumulation``       time, length Energy accumulation in tube wall per unit length of shell flow path per unit time
+=========================== ============ =================================================================================
+
+
+Initialization
+--------------
+
+A simple initialization method that first initializes the control volume without heat transfer,
+then adds heat transfer in and solves it again, then finally solves the entire model.
+
+
+Heater1D Class
+--------------
+
+.. autoclass:: Heater1D
+  :members:
+
+Heater1DData Class
+------------------
+
+.. autoclass:: Heater1DData
+  :members:
+
+Heater1DInitializer Class
+-------------------------
+
+.. autoclass:: Heater1DInitializer
+  :members:

docs/reference_guides/model_libraries/power_generation/unit_models/heater_1D.rst

@@ -26,3 +26,5 @@ Unit Models
     waterpipe
     boiler_heat_exchanger_3streams
     feedwater_heater_0D_dynamic
+    cross_flow_heat_exchanger_1D
+    heater_1D

docs/reference_guides/model_libraries/power_generation/unit_models/index.rst

@@ -16,7 +16,7 @@
 """
 import enum
 from pyomo.environ import SolverFactory
-from pyomo.core.base.var import _GeneralVarData
+from pyomo.core.base.var import VarData
 
 
 class ControlInitOption(enum.Enum):
@@ -94,7 +94,7 @@ def validate_list_of_vardata(varlist):
     if not isinstance(varlist, list):
         raise TypeError("Not a list of VarData")
     for var in varlist:
-        if not isinstance(var, _GeneralVarData):
+        if not isinstance(var, VarData):
             raise TypeError("Not a list of VarData")
     return varlist
 
@@ -107,7 +107,7 @@ def validate_list_of_vardata_value_tuples(varvaluelist):
             raise TypeError("Item in list is not a tuple")
         if not len(item) == 2:
             raise ValueError("Tuple in list does not have correct length")
-        if not isinstance(item[0], _GeneralVarData):
+        if not isinstance(item[0], VarData):
             raise TypeError("First entry is not a VarData")
         item = (item[0], float(item[1]))
     return varvaluelist