Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

1D Membrane Model for CO2 Capture and Utilization #1378

Open
wants to merge 18 commits into
base: main
Choose a base branch
from
Open
Show file tree
Hide file tree
Changes from 10 commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Jump to
Jump to file
Failed to load files.
Diff view
Diff view
Empty file.
Original file line number Diff line number Diff line change
@@ -0,0 +1 @@
This directory contains the unit models for Carbon Capture and Utilization
Original file line number Diff line number Diff line change
@@ -0,0 +1,13 @@
#################################################################################
# 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.
#################################################################################
from .membrane_1d import Membrane1D, MembraneFlowPattern
Original file line number Diff line number Diff line change
@@ -0,0 +1,341 @@
#################################################################################

Check notice on line 1 in idaes/models_extra/co2_capture_and_utilization/unit_models/membrane_1d.py

View workflow job for this annotation

GitHub Actions / Pylint

C0114 (missing-module-docstring)

Missing module docstring
# The Institute for the Design of Advanced Energy Systems Integrated Platform
Morgan88888888 marked this conversation as resolved.
Show resolved Hide resolved
# 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.
#################################################################################


from enum import Enum
from pyomo.common.config import Bool, ConfigDict, ConfigValue, In
from pyomo.environ import Constraint, Param, Var, units, Expression

Check warning on line 17 in idaes/models_extra/co2_capture_and_utilization/unit_models/membrane_1d.py

View workflow job for this annotation

GitHub Actions / Pylint

W0611 (unused-import)

Unused Constraint imported from pyomo.environ
from pyomo.network import Port

from idaes.core import (
FlowDirection,
UnitModelBlockData,
declare_process_block_class,
useDefault,
MaterialFlowBasis,
)
from idaes.core.util.config import is_physical_parameter_block
from idaes.models.unit_models.mscontactor import MSContactor
from idaes.core.util.exceptions import ConfigurationError, InitializationError

Check warning on line 29 in idaes/models_extra/co2_capture_and_utilization/unit_models/membrane_1d.py

View workflow job for this annotation

GitHub Actions / Pylint

W0611 (unused-import)

Unused InitializationError imported from idaes.core.util.exceptions

# TODO: add robust initialization
__author__ = "Maojian Wang"


class MembraneFlowPattern(Enum):
"""
Enum of supported flow patterns for membrane.
So far only support countercurrent and cocurrent flow
"""

countercurrent = 1
cocurrent = 2
crossflow = 3


@declare_process_block_class("Membrane1D")
class Membrane1DData(UnitModelBlockData):
"""Standard Membrane 1D Unit Model Class."""

CONFIG = UnitModelBlockData.CONFIG()

Stream_Config = ConfigDict()

Stream_Config.declare(
"property_package",
ConfigValue(
default=useDefault,
domain=is_physical_parameter_block,
description="Property package to use for given stream",
doc="""Property parameter object used to define property calculations for given stream,
**default** - useDefault.
**Valid values:** {
**useDefault** - use default package from parent model or flowsheet,
**PhysicalParameterObject** - a PhysicalParameterBlock object.}""",
),
)

Stream_Config.declare(
"property_package_args",
ConfigDict(
implicit=True,
description="Dict of arguments to use for constructing property package",
doc="""A ConfigDict with arguments to be passed to property block(s)
and used when constructing these,
**default** - None.
**Valid values:** {
see property package for documentation.}""",
),
)

Stream_Config.declare(
"flow_direction",
ConfigValue(
default=FlowDirection.forward,
domain=In(FlowDirection),
doc="Direction of flow for stream",
description="FlowDirection Enum indicating direction of "
"flow for given stream. Default=FlowDirection.forward.",
),
)

Stream_Config.declare(
"has_energy_balance",
ConfigValue(
default=True,
domain=Bool,
doc="Bool indicating whether to include energy balance for stream. Default=True.",
),
)

Stream_Config.declare(
"has_pressure_balance",
ConfigValue(
default=True,
domain=Bool,
doc="Bool indicating whether to include pressure balance for stream. Default=True.",
),
)

Morgan88888888 marked this conversation as resolved.
Show resolved Hide resolved
Stream_Config.declare(
"has_feed",
ConfigValue(
default=True,
domain=Bool,
doc="Bool indicating whether stream has a feed.",
description="Bool indicating whether stream has a feed Port and inlet "
"state, or if all flow is provided via mass transfer. Default=True.",
),
)
CONFIG.declare(
Morgan88888888 marked this conversation as resolved.
Show resolved Hide resolved
"sweep_flow",
Morgan88888888 marked this conversation as resolved.
Show resolved Hide resolved
ConfigValue(
default=True,
domain=Bool,
doc="Bool indicating whether there is a sweep flow in the permeate side.",
description="Bool indicating whether stream has a feed Port and inlet "
"state, or if all flow is provided via mass transfer. Default=True.",
),
)

Morgan88888888 marked this conversation as resolved.
Show resolved Hide resolved
CONFIG.declare(
"finite_elements",
ConfigValue(
default=5,
domain=int,
description="Number of finite elements in length domain",
doc="""Number of finite elements to use when discretizing length
domain (default=5)""",
),
)

CONFIG.declare(
"flow_type",
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

This also appears to duplicate options from StreamCONFIG (again I suspect you only need this one).

Copy link
Member Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I think it's more clear to have "finite_elements" in unit config level.

ConfigValue(
default=MembraneFlowPattern.countercurrent,
domain=In(MembraneFlowPattern),
description="Flow configuration of membrane",
doc="""Flow configuration of membrane
- MembraneFlowPattern.cocurrent: feed and sweep flows from 0 to 1
- MembraneFlowPattern.countercurrent: feed side flows from 0 to 1
sweep side flows from 1 to 0 (default)""",
),
)

CONFIG.declare(
Morgan88888888 marked this conversation as resolved.
Show resolved Hide resolved
"property_package",
ConfigValue(
default=None,
domain=is_physical_parameter_block,
description="Property package to use for control volume",
doc="""Property parameter object used to define property
calculations
(default = 'use_parent_value')
- 'use_parent_value' - get package from parent (default = None)
- a ParameterBlock object""",
),
)

CONFIG.declare(
"property_package_args",
ConfigValue(
default={},
description="Arguments for constructing property package",
doc="""A dict of arguments to be passed to the PropertyBlockData
and used when constructing these
(default = 'use_parent_value')
- 'use_parent_value' - get package from parent (default = None)
- a dict (see property package for documentation)""",
),
)

for side_name in ["feed", "sweep"]:
Morgan88888888 marked this conversation as resolved.
Show resolved Hide resolved
CONFIG.declare(
side_name + "_side",
Stream_Config(),
)

def build(self):
super().build()

if self.config.sweep_flow == False:

Check notice on line 191 in idaes/models_extra/co2_capture_and_utilization/unit_models/membrane_1d.py

View workflow job for this annotation

GitHub Actions / Pylint

C0121 (singleton-comparison)

Comparison 'self.config.sweep_flow == False' should be 'self.config.sweep_flow is False' if checking for the singleton value False, or 'not self.config.sweep_flow' if testing for falsiness
self.config.sweep_side.has_feed = False

# Set flow directions
if self.config.flow_type == MembraneFlowPattern.cocurrent:
Morgan88888888 marked this conversation as resolved.
Show resolved Hide resolved
self.config.feed_side.flow_direction = FlowDirection.forward
self.config.sweep_side.flow_direction = FlowDirection.forward
elif self.config.flow_type == MembraneFlowPattern.countercurrent:
self.config.feed_side.flow_direction = FlowDirection.forward
self.config.sweep_side.flow_direction = FlowDirection.backward

else:
raise ConfigurationError(
"{} Membrane1D only supports cocurrent and "
"countercurrent flow patterns, but flow_type configuration"
" argument was set to {}.".format(self.name, self.config.flow_type)
)

if self.config.property_package != None:

Check notice on line 209 in idaes/models_extra/co2_capture_and_utilization/unit_models/membrane_1d.py

View workflow job for this annotation

GitHub Actions / Pylint

C0121 (singleton-comparison)

Comparison 'self.config.property_package != None' should be 'self.config.property_package is not None'
if self.config.feed_side.property_package == useDefault:
self.config.feed_side.property_package = self.config.property_package
if self.config.sweep_side.property_package == useDefault:
self.config.sweep_side.property_package = self.config.property_package

streams_dict = {
"feed_side": self.config.feed_side,
Morgan88888888 marked this conversation as resolved.
Show resolved Hide resolved
"sweep_side": self.config.sweep_side,
}
self.mscontactor = MSContactor(
streams=streams_dict,
Morgan88888888 marked this conversation as resolved.
Show resolved Hide resolved
number_of_finite_elements=self.config.finite_elements,
)

self.feed_side_inlet = Port(extends=self.mscontactor.feed_side_inlet)
self.feed_side_outlet = Port(extends=self.mscontactor.feed_side_outlet)
if self.config.sweep_flow == True:

Check notice on line 226 in idaes/models_extra/co2_capture_and_utilization/unit_models/membrane_1d.py

View workflow job for this annotation

GitHub Actions / Pylint

C0121 (singleton-comparison)

Comparison 'self.config.sweep_flow == True' should be 'self.config.sweep_flow is True' if checking for the singleton value True, or 'self.config.sweep_flow' if testing for truthiness
self.sweep_side_inlet = Port(extends=self.mscontactor.sweep_side_inlet)
self.sweep_side_outlet = Port(extends=self.mscontactor.sweep_side_outlet)

self._make_geometry()
self._make_performance()

def _make_geometry(self):
feed_side_units = (

Check warning on line 234 in idaes/models_extra/co2_capture_and_utilization/unit_models/membrane_1d.py

View workflow job for this annotation

GitHub Actions / Pylint

W0612 (unused-variable)

Unused variable 'feed_side_units'
self.config.feed_side.property_package.get_metadata().derived_units
)

self.area = Var(initialize=100, units=units.cm**2, doc="The membrane area")
Morgan88888888 marked this conversation as resolved.
Show resolved Hide resolved

self.length = Var(initialize=100, units=units.cm, doc="The membrane length")
self.cell_length = Expression(expr=self.length / self.config.finite_elements)

self.cell_area = Var(
initialize=100, units=units.cm**2, doc="The membrane area"
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

This needs a better doc string, as at the moment it is the same as self.area. I think this should be area per cell (or finite element to be more accurate).

)

@self.Constraint()
def area_per_cell(self):
return self.cell_area == self.area / self.config.finite_elements

def _make_performance(self):
feed_side_units = (
self.config.feed_side.property_package.get_metadata().derived_units
)

self.permeance = Var(
self.flowsheet().time,
self.mscontactor.elements,
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

To check, does this need to be indexed by time and finite element? Whilst there are cases where you would want this degree of flexibility, is it something you want to support right now?

Also, I do not think this should be indexed by the feed side component list. Either you should have a single property package for the unit model, in which case you should use the uni level package, or it you want to support separate property packages you should use the intersection of the feed and sweep side component lists (i.e. only create a term for those species which appear in both property packages). Otherwise, you run the risk of trying to write constraints involving species which do not exist on the sweep side.

Copy link
Member Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

In the simple assumption, it isn't necessary. However, retaining it isn't particularly harmful either.
The example you gave about indexing could occur in some membrane separations but isn't common in this application. I'll keep this idea in mind for future improvements if the need arises.

Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

It is better to fix these issues now rather than wait until later when you have forgotten how the model works.

You need to make the decision to either use a single property package for everything or not, and if you decide to allow for multiple property packages then you need to go the full way to supporting them.

self.mscontactor.feed_side.component_list,
initialize=1,
doc="Values in Gas Permeance Unit(GPU)",
units=units.dimensionless,
)

self.gpu_factor = Param(
default=10e-8 / 13333.2239,
units=units.m / units.s / units.Pa,
mutable=True,
)

self.selectivity = Var(
self.flowsheet().time,
self.mscontactor.elements,
self.mscontactor.feed_side.component_list,
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Do you need the full factorial combination of these? I suspect you do not need the combination where both components are the same, and that S[i, j] == 1/S[j, i]. Looking below, I think this is confirmed by the following constraint.

Thus, my question becomes how do you intend for a user to use these? If a user were to naively fix all the selectivity, then the problem would be over-specified.

self.mscontactor.feed_side.component_list,
initialize=1,
units=units.dimensionless,
)

@self.Constraint(
self.flowsheet().time,
self.mscontactor.elements,
self.mscontactor.feed_side.component_list,
self.mscontactor.feed_side.component_list,
doc="permeance calculation",
)
def permeance_calculation(self, t, e, a, b):
return (
self.permeance[t, e, a] * self.selectivity[t, e, a, b]
== self.permeance[t, e, b]
)

p_units = feed_side_units.PRESSURE

@self.Constraint(
self.flowsheet().time,
self.mscontactor.elements,
self.mscontactor.feed_side.component_list,
doc="permeability calculation",
)
def permeability_calculation(self, t, s, m):
feed_side_state = self.mscontactor.feed_side[t, s]
if feed_side_state.get_material_flow_basis() is MaterialFlowBasis.molar:
mb_units = feed_side_units.FLOW_MOLE
rho = self.mscontactor.feed_side[t, s].dens_mol
elif feed_side_state.get_material_flow_basis() is MaterialFlowBasis.mass:
mb_units = feed_side_units.FLOW_MASS
rho = self.mscontactor.feed_side[t, s].dens_mass
else:
raise TypeError("Undefined flow basis, please define the flow basis")
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Minor comment, but the flow basis is always defined, but we allow for it to be "other" (e.g. volume). A more correct error message would be "This model only supports MaterialFlowBasis equal to molar or mass".


return self.mscontactor.material_transfer_term[
t, s, "feed_side", "sweep_side", m
] == -units.convert(
(
rho
* self.gpu_factor
* self.permeance[t, s, m]
* self.cell_area
* (
self.mscontactor.feed_side[t, s].pressure
* self.mscontactor.feed_side[t, s].mole_frac_comp[m]
- units.convert(
self.mscontactor.sweep_side[t, s].pressure, to_units=p_units
)
* self.mscontactor.sweep_side[t, s].mole_frac_comp[m]
)
),
to_units=mb_units,
)

@self.Constraint(
self.flowsheet().time,
self.mscontactor.elements,
doc="Energy balance",
)
def energy_transfer(self, t, s):
return (
self.mscontactor.feed_side[t, s].temperature
== self.mscontactor.sweep_side[t, s].temperature
)