watertap.property_models package

Subpackages

Submodules

watertap.property_models.NaCl_T_dep_prop_pack module

Initial property package for H2O-NaCl system with temperature dependence

class watertap.property_models.NaCl_T_dep_prop_pack.NaClParameterBlock(*args, **kwds)

Bases: ProcessBlock

Parameters:

  • rule (function) – A rule function or None. Default rule calls build().

  • concrete (bool) – If True, make this a toplevel model. Default - False.

  • ctype (class) –

    Pyomo ctype of the block. Default - pyomo.environ.Block

    Config args

    default_arguments

    Default arguments to use with Property Package

  • initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries with config arguments as keys.

  • idx_map (function) – Function to take the index of a BlockData element and return the index in the initialize dict from which to read arguments. This can be provided to override the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(NaClParameterBlock) New instance

class watertap.property_models.NaCl_T_dep_prop_pack.NaClParameterData(component)[source]

Bases: PhysicalParameterBlock

build()[source]

Callable method for Block construction.

classmethod define_metadata(obj)[source]

Define properties supported and units.

class watertap.property_models.NaCl_T_dep_prop_pack.NaClStateBlock(*args, **kwds)

Bases: _NaClStateBlock

Parameters:

  • rule (function) – A rule function or None. Default rule calls build().

  • concrete (bool) – If True, make this a toplevel model. Default - False.

  • ctype (class) –

    Pyomo ctype of the block. Default - pyomo.environ.Block

    Config args

    parameters

    A reference to an instance of the Property Parameter Block associated with this property package.

    defined_state

    Flag indicating whether the state should be considered fully defined, and thus whether constraints such as sum of mass/mole fractions should be included, default - False. Valid values: { True - state variables will be fully defined, False - state variables will not be fully defined.}

    has_phase_equilibrium

    Flag indicating whether phase equilibrium constraints should be constructed in this state block, default - True. Valid values: { True - StateBlock should calculate phase equilibrium, False - StateBlock should not calculate phase equilibrium.}

  • initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries with config arguments as keys.

  • idx_map (function) – Function to take the index of a BlockData element and return the index in the initialize dict from which to read arguments. This can be provided to override the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(NaClStateBlock) New instance

class watertap.property_models.NaCl_T_dep_prop_pack.NaClStateBlockData(*args, **kwargs)[source]

Bases: StateBlockData

build()[source]

Callable method for Block construction.

define_state_vars()[source]

Define state vars.

get_enthalpy_flow_terms(p)[source]

Create enthalpy flow terms.

get_material_flow_basis()[source]

Method which returns an Enum indicating the basis of the material flow term.

get_material_flow_terms(p, j)[source]

Create material flow terms for control volume.

watertap.property_models.NaCl_prop_pack module

Initial property package for H2O-NaCl system

class watertap.property_models.NaCl_prop_pack.NaClParameterBlock(*args, **kwds)

Bases: ProcessBlock

Parameters:

  • rule (function) – A rule function or None. Default rule calls build().

  • concrete (bool) – If True, make this a toplevel model. Default - False.

  • ctype (class) –

    Pyomo ctype of the block. Default - pyomo.environ.Block

    Config args

    default_arguments

    Default arguments to use with Property Package

  • initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries with config arguments as keys.

  • idx_map (function) – Function to take the index of a BlockData element and return the index in the initialize dict from which to read arguments. This can be provided to override the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(NaClParameterBlock) New instance

class watertap.property_models.NaCl_prop_pack.NaClParameterData(component)[source]

Bases: PhysicalParameterBlock

build()[source]

Callable method for Block construction.

classmethod define_metadata(obj)[source]

Define properties supported and units.

class watertap.property_models.NaCl_prop_pack.NaClStateBlock(*args, **kwds)

Bases: _NaClStateBlock

Parameters:

  • rule (function) – A rule function or None. Default rule calls build().

  • concrete (bool) – If True, make this a toplevel model. Default - False.

  • ctype (class) –

    Pyomo ctype of the block. Default - pyomo.environ.Block

    Config args

    parameters

    A reference to an instance of the Property Parameter Block associated with this property package.

    defined_state

    Flag indicating whether the state should be considered fully defined, and thus whether constraints such as sum of mass/mole fractions should be included, default - False. Valid values: { True - state variables will be fully defined, False - state variables will not be fully defined.}

    has_phase_equilibrium

    Flag indicating whether phase equilibrium constraints should be constructed in this state block, default - True. Valid values: { True - StateBlock should calculate phase equilibrium, False - StateBlock should not calculate phase equilibrium.}

  • initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries with config arguments as keys.

  • idx_map (function) – Function to take the index of a BlockData element and return the index in the initialize dict from which to read arguments. This can be provided to override the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(NaClStateBlock) New instance

class watertap.property_models.NaCl_prop_pack.NaClStateBlockData(*args, **kwargs)[source]

Bases: StateBlockData

build()[source]

Callable method for Block construction.

define_state_vars()[source]

Define state vars.

get_energy_density_terms(p)[source]

Create enthalpy density terms.

get_enthalpy_flow_terms(p)[source]

Create enthalpy flow terms.

get_material_density_terms(p, j)[source]

Create material density terms.

get_material_flow_basis()[source]

Method which returns an Enum indicating the basis of the material flow term.

get_material_flow_terms(p, j)[source]

Create material flow terms for control volume.

watertap.property_models.multicomp_aq_sol_prop_pack module

This property package computes a multi-component aqueous solution that can contain ionic and/or neutral solute species. It supports basic calculation of component quantities and some physical, chemical and electrical properties.

This property package was formerly named the “ion_DSPMDE_prop_pack” and was originally designed for use with the Donnan Steric Pore Model with Dielectric Exclusion (DSPMDE) for nanofiltration.

class watertap.property_models.multicomp_aq_sol_prop_pack.ActivityCoefficientModel(value)[source]

Bases: Enum

An enumeration.

class watertap.property_models.multicomp_aq_sol_prop_pack.DensityCalculation(value)[source]

Bases: Enum

An enumeration.

class watertap.property_models.multicomp_aq_sol_prop_pack.DiffusivityCalculation(value)[source]

Bases: Enum

An enumeration.

class watertap.property_models.multicomp_aq_sol_prop_pack.ElectricalMobilityCalculation(value)[source]

Bases: Enum

An enumeration.

class watertap.property_models.multicomp_aq_sol_prop_pack.EquivalentConductivityCalculation(value)[source]

Bases: Enum

An enumeration.

class watertap.property_models.multicomp_aq_sol_prop_pack.MCASParameterBlock(*args, **kwds)

Bases: ProcessBlock

Parameters:

  • rule (function) – A rule function or None. Default rule calls build().

  • concrete (bool) – If True, make this a toplevel model. Default - False.

  • ctype (class) –

    Pyomo ctype of the block. Default - pyomo.environ.Block

    Config args

    default_arguments

    Default arguments to use with Property Package

    solute_list

    Required argument.List of strings that specify names of solute species.

    stokes_radius_data

    Dict of solute species names (keys) and Stokes radius data (values)

    diffusivity_data

    Dict of solute species names (keys) and bulk ion diffusivity data (values)

    molar_volume_data

    Dict of solute species names and molar volume of aqueous species

    mw_data

    Required argument. Dict of component names (keys)and molecular weight data (values)

    elec_mobility_data

    Ion electrical mobility

    trans_num_data

    transport number of ions in the liquid phase

    equiv_conductivity_phase_data

    Equivalent conductivity of ions in the liquid phase

    charge

    Ion charge

    ignore_neutral_charge

    Level of reporting results. default - False. Valid values: { False - raise ConfigurationError when charge value not provided for ALL solutes, including neutral solutes (charge=0), True - will not raise ConfigurationError when charge not provided for particular solutes, assuming said solutes are meant to be designated as neutral.

    activity_coefficient_model

    Options to account for activity coefficient model.

    default - ActivityCoefficientModel.ideal

    Configuration Options

    Description

    ActivityCoefficientModel.ideal

    Activity coefficients equal to 1 assuming ideal solution

    ActivityCoefficientModel.davies

    Activity coefficients estimated via Davies model
    density_calculation

    Options to account for solution density.

    default - DensityCalculation.constant

    Configuration Options

    Description

    DensityCalculation.constant

    Solution density assumed constant at 1000 kg/m3 by default in dens_mass_const parameter

    DensityCalculation.seawater

    Solution density based on correlation for seawater (TDS)
    diffus_calculation

    Options to account for ionic or molecular diffusivity.

    default - DiffusivityCalculation.none

    Configuration Options

    Description

    DiffusivityCalculation.none

    Users provide data via the diffusivity_data configuration

    DiffusivityCalculation.HaydukLaudie

    Allow the nonelectrolyte (neutral) species to get diffusivity from the Hayduk Laudie equation
    elec_mobility_calculation

    Options to account for ion electrical mobility.

    default - ElectricalMobilityCalculation.none

    Configuration Options

    Description

    ElectricalMobilityCalculation.none

    Users provide data via the elec_mobility_data configuration

    ElectricalMobilityCalculation.EinsteinRelation

    Calculate from the diffusivity_data by the Einstein Relation
    trans_num_calculation

    Options to account for ion transport number in the solution.

    default - TransportNumberCalculation.ElectricalMobility

    Configuration Options

    Description

    TransportNumberCalculation.none

    Users provide data via the trans_num_data configuration

    TransportNumberCalculation.ElectricalMobility

    Calculated from the elec_mobility_data
    equiv_conductivity_calculation

    Options to account for the total equivalent conductivity of the liquid phase (solution).

    default - EquivalentConductivityCalculation.none

    Configuration Options

    Description

    EquivalentConductivityCalculation.none

    Users provide data via the equiv_conductivity_data configuration

    EquivalentConductivityCalculation.ElectricalMobility

    Calculated from the electrical_mobility_data
    material_flow_basis

    Material flow basis options.

    default - MaterialFlowBasis.molar

    Configuration Options

    Description

    MaterialFlowBasis.molar

    molar flowrate as the state variable

    MaterialFlowBasis.mass

    mass flowrate as the state variable

    MaterialFlowBasis.other

    other material flowrate as the state variable

  • initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries with config arguments as keys.

  • idx_map (function) – Function to take the index of a BlockData element and return the index in the initialize dict from which to read arguments. This can be provided to override the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(MCASParameterBlock) New instance

class watertap.property_models.multicomp_aq_sol_prop_pack.MCASParameterData(component)[source]

Bases: PhysicalParameterBlock

build()[source]

Callable method for Block construction.

classmethod define_metadata(obj)[source]

Define properties supported and units.

class watertap.property_models.multicomp_aq_sol_prop_pack.MCASScaler(**kwargs)[source]

Bases: CustomScalerBase

zero_tolerance

Value at which a variable will be considered equal to zero for scaling.

max_variable_scaling_factor

Maximum value for variable scaling factors.

min_variable_scaling_factor

Minimum value for variable scaling factors.

max_constraint_scaling_factor

Maximum value for constraint scaling factors.

min_constraint_scaling_factor

Minimum value for constraint scaling factors.

max_expression_scaling_hint

Maximum value for expression scaling hints.

min_expression_scaling_hint

Minimum value for constraint scaling hints.

overwrite

Whether to overwrite existing scaling factors.

constraint_scaling_routine(model, overwrite: bool = False, submodel_scalers: dict | None = None)[source]

Routine to apply scaling factors to constraints in model.

Derived classes must overload this method.

Parameters:

  • model – model to be scaled

  • overwrite – whether to overwrite existing scaling factors

  • submodel_scalers – ComponentMap of Scalers to use for sub-models

Returns:

None

variable_scaling_routine(model, overwrite: bool = False, submodel_scalers: dict | None = None)[source]

Routine to apply scaling factors to variables in model.

Derived classes must overload this method.

Parameters:

  • model – model to be scaled

  • overwrite – whether to overwrite existing scaling factors

  • submodel_scalers – ComponentMap of Scalers to use for sub-models

Returns:

None

class watertap.property_models.multicomp_aq_sol_prop_pack.MCASStateBlock(*args, **kwds)

Bases: _MCASStateBlock

Parameters:

  • rule (function) – A rule function or None. Default rule calls build().

  • concrete (bool) – If True, make this a toplevel model. Default - False.

  • ctype (class) –

    Pyomo ctype of the block. Default - pyomo.environ.Block

    Config args

    parameters

    A reference to an instance of the Property Parameter Block associated with this property package.

    defined_state

    Flag indicating whether the state should be considered fully defined, and thus whether constraints such as sum of mass/mole fractions should be included, default - False. Valid values: { True - state variables will be fully defined, False - state variables will not be fully defined.}

    has_phase_equilibrium

    Flag indicating whether phase equilibrium constraints should be constructed in this state block, default - True. Valid values: { True - StateBlock should calculate phase equilibrium, False - StateBlock should not calculate phase equilibrium.}

  • initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries with config arguments as keys.

  • idx_map (function) – Function to take the index of a BlockData element and return the index in the initialize dict from which to read arguments. This can be provided to override the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(MCASStateBlock) New instance

class watertap.property_models.multicomp_aq_sol_prop_pack.MCASStateBlockData(*args, **kwargs)[source]

Bases: StateBlockData

assert_electroneutrality(tol=None, tee=True, defined_state=True, adjust_by_ion=None, get_property=None, solve=True)[source]

TODO: add descriptions of args and what is returned

build()[source]

Callable method for Block construction.

define_state_vars()[source]

Define state vars.

get_material_flow_basis()[source]

Method which returns an Enum indicating the basis of the material flow term.

get_material_flow_terms(p, j)[source]

Create material flow terms for control volume.

class watertap.property_models.multicomp_aq_sol_prop_pack.TransportNumberCalculation(value)[source]

Bases: Enum

An enumeration.

watertap.property_models.seawater_prop_pack module

Initial property package for seawater system

class watertap.property_models.seawater_prop_pack.SeawaterParameterBlock(*args, **kwds)

Bases: ProcessBlock

Parameters:

  • rule (function) – A rule function or None. Default rule calls build().

  • concrete (bool) – If True, make this a toplevel model. Default - False.

  • ctype (class) –

    Pyomo ctype of the block. Default - pyomo.environ.Block

    Config args

    default_arguments

    Default arguments to use with Property Package

  • initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries with config arguments as keys.

  • idx_map (function) – Function to take the index of a BlockData element and return the index in the initialize dict from which to read arguments. This can be provided to override the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(SeawaterParameterBlock) New instance

class watertap.property_models.seawater_prop_pack.SeawaterParameterData(component)[source]

Bases: PhysicalParameterBlock

Parameter block for a seawater property package.

build()[source]

Callable method for Block construction.

classmethod define_metadata(obj)[source]

Define properties supported and units.

class watertap.property_models.seawater_prop_pack.SeawaterStateBlock(*args, **kwds)

Bases: _SeawaterStateBlock

Parameters:

  • rule (function) – A rule function or None. Default rule calls build().

  • concrete (bool) – If True, make this a toplevel model. Default - False.

  • ctype (class) –

    Pyomo ctype of the block. Default - pyomo.environ.Block

    Config args

    parameters

    A reference to an instance of the Property Parameter Block associated with this property package.

    defined_state

    Flag indicating whether the state should be considered fully defined, and thus whether constraints such as sum of mass/mole fractions should be included, default - False. Valid values: { True - state variables will be fully defined, False - state variables will not be fully defined.}

    has_phase_equilibrium

    Flag indicating whether phase equilibrium constraints should be constructed in this state block, default - True. Valid values: { True - StateBlock should calculate phase equilibrium, False - StateBlock should not calculate phase equilibrium.}

  • initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries with config arguments as keys.

  • idx_map (function) – Function to take the index of a BlockData element and return the index in the initialize dict from which to read arguments. This can be provided to override the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(SeawaterStateBlock) New instance

class watertap.property_models.seawater_prop_pack.SeawaterStateBlockData(*args, **kwargs)[source]

Bases: StateBlockData

A seawater property package.

build()[source]

Callable method for Block construction.

define_state_vars()[source]

Define state vars.

get_energy_density_terms(p)[source]

Create energy density terms.

get_enthalpy_flow_terms(p)[source]

Create enthalpy flow terms.

get_material_density_terms(p, j)[source]

Create material density terms.

get_material_flow_basis()[source]

Method which returns an Enum indicating the basis of the material flow term.

get_material_flow_terms(p, j)[source]

Create material flow terms for control volume.

watertap.property_models.water_prop_pack module

Initial property package for pure water system (vapor or liquid)

class watertap.property_models.water_prop_pack.WaterParameterBlock(*args, **kwds)

Bases: ProcessBlock

Parameters:

  • rule (function) – A rule function or None. Default rule calls build().

  • concrete (bool) – If True, make this a toplevel model. Default - False.

  • ctype (class) –

    Pyomo ctype of the block. Default - pyomo.environ.Block

    Config args

    default_arguments

    Default arguments to use with Property Package

  • initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries with config arguments as keys.

  • idx_map (function) – Function to take the index of a BlockData element and return the index in the initialize dict from which to read arguments. This can be provided to override the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(WaterParameterBlock) New instance

class watertap.property_models.water_prop_pack.WaterParameterData(component)[source]

Bases: PhysicalParameterBlock

Parameter block for a water property package.

build()[source]

Callable method for Block construction.

classmethod define_metadata(obj)[source]

Define properties supported and units.

class watertap.property_models.water_prop_pack.WaterStateBlock(*args, **kwds)

Bases: _WaterStateBlock

Parameters:

  • rule (function) – A rule function or None. Default rule calls build().

  • concrete (bool) – If True, make this a toplevel model. Default - False.

  • ctype (class) –

    Pyomo ctype of the block. Default - pyomo.environ.Block

    Config args

    parameters

    A reference to an instance of the Property Parameter Block associated with this property package.

    defined_state

    Flag indicating whether the state should be considered fully defined, and thus whether constraints such as sum of mass/mole fractions should be included, default - False. Valid values: { True - state variables will be fully defined, False - state variables will not be fully defined.}

    has_phase_equilibrium

    Flag indicating whether phase equilibrium constraints should be constructed in this state block, default - True. Valid values: { True - StateBlock should calculate phase equilibrium, False - StateBlock should not calculate phase equilibrium.}

  • initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries with config arguments as keys.

  • idx_map (function) – Function to take the index of a BlockData element and return the index in the initialize dict from which to read arguments. This can be provided to override the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(WaterStateBlock) New instance

class watertap.property_models.water_prop_pack.WaterStateBlockData(*args, **kwargs)[source]

Bases: StateBlockData

A water property package.

build()[source]

Callable method for Block construction.

define_state_vars()[source]

Define state vars.

get_enthalpy_flow_terms(p)[source]

Create enthalpy flow terms.

get_material_flow_basis()[source]

Method which returns an Enum indicating the basis of the material flow term.

get_material_flow_terms(p, j)[source]

Create material flow terms for control volume.

Module contents