idaes.property_models.activity_coeff_models package

Submodules

idaes.property_models.activity_coeff_models.BTX_activity_coeff_VLE module

Example property package for the VLE calucations for a Benzene-Toluene-o-Xylene system. If using the activity coefficient models (NRTL or Wilson), the user is expected to provide the paramters necessary for these models. Please note that these parameters are declared as variables here to allow for use in a parameter estimation problem if the VLE data is available.

class idaes.property_models.activity_coeff_models.BTX_activity_coeff_VLE.BTXParameterBlock(*args, **kwargs)

Parameters:

• rule (function) – A rule function or None. Default rule calls build().
• concrete (bool) – If True, make this a toplevel model. Default - False.
• ctype (str) – Pyomo ctype of the block. Default - “Block”
• default (dict) –

  Default ProcessBlockData config

  Keys

  default_arguments

  Default arguments to use with Property Package

  activity_coeff_model

  Flag indicating the activity coefficient model to be used for the non-ideal liquid, and thus corresponding constraints should be included, default - Ideal liquid. Valid values: { “NRTL” - Non Random Two Liquid Model, “Wilson” - Wilson Liquid Model,}

  state_vars

  Flag indicating the choice for state variables to be used for the state block, and thus corresponding constraints should be included, default - FTPz Valid values: { “FTPx” - Total flow, Temperature, Pressure and Mole fraction, “FcTP” - Component flow, Temperature and Pressure}

  valid_phase

  Flag indicating the valid phase for a given set of conditions, and thus corresponding constraints should be included, default - (“Vap”, “Liq”). Valid values: { “Liq” - Liquid only, “Vap” - Vapor only, (“Vap”, “Liq”) - Vapor-liquid equilibrium, (“Liq”, “Vap”) - Vapor-liquid equilibrium,}

• initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries described under the “default” argument above.
• 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 overide the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(BTXParameterBlock) New instance

class idaes.property_models.activity_coeff_models.BTX_activity_coeff_VLE.BTXParameterData(component)

build()

Callable method for Block construction.

idaes.property_models.activity_coeff_models.activity_coeff_prop_pack module

Ideal gas + Ideal/Non-ideal liquid property package.

VLE calucations assuming an ideal gas for the gas phase. For the liquid phase, options include ideal liquid or non-ideal liquid using an activity coefficient model; options include Non Random Two Liquid Model (NRTL) or the Wilson model to compute the activity coefficient. This property package supports the following combinations for gas-liquid mixtures: 1. Ideal (vapor) - Ideal (liquid) 2. Ideal (vapor) - NRTL (liquid) 3. Ideal (vapor) - Wilson (liquid)

This property package currently supports the flow_mol, temperature, pressure and mole_frac_comp as state variables (mole basis). Support for other combinations will be available in the future.

Please note that the parameters required to compute the activity coefficient for the component needs to be provided by the user in the parameter block or can be estimated by the user if VLE data is available. Please see the documentation for more details.

SI units.

References:

1. “The properties of gases and liquids by Robert C. Reid”
2. “Perry’s Chemical Engineers Handbook by Robert H. Perry”.
3. H. Renon and J.M. Prausnitz, “Local compositions in thermodynamic excess functions for liquid mixtures.”, AIChE Journal Vol. 14, No.1, 1968.

class idaes.property_models.activity_coeff_models.activity_coeff_prop_pack.ActivityCoeffParameterBlock(*args, **kwargs)

Parameters:

• rule (function) – A rule function or None. Default rule calls build().
• concrete (bool) – If True, make this a toplevel model. Default - False.
• ctype (str) – Pyomo ctype of the block. Default - “Block”
• default (dict) –

  Default ProcessBlockData config

  Keys

  default_arguments

  Default arguments to use with Property Package

  activity_coeff_model

  Flag indicating the activity coefficient model to be used for the non-ideal liquid, and thus corresponding constraints should be included, default - Ideal liquid. Valid values: { “NRTL” - Non Random Two Liquid Model, “Wilson” - Wilson Liquid Model,}

  state_vars

  Flag indicating the choice for state variables to be used for the state block, and thus corresponding constraints should be included, default - FTPz Valid values: { “FTPx” - Total flow, Temperature, Pressure and Mole fraction, “FcTP” - Component flow, Temperature and Pressure}

  valid_phase

  Flag indicating the valid phase for a given set of conditions, and thus corresponding constraints should be included, default - (“Vap”, “Liq”). Valid values: { “Liq” - Liquid only, “Vap” - Vapor only, (“Vap”, “Liq”) - Vapor-liquid equilibrium, (“Liq”, “Vap”) - Vapor-liquid equilibrium,}

• initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries described under the “default” argument above.
• 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 overide the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(ActivityCoeffParameterBlock) New instance

class idaes.property_models.activity_coeff_models.activity_coeff_prop_pack.ActivityCoeffParameterData(component)

Property Parameter Block Class Contains parameters and indexing sets associated with properties for BTX system.

build()

Callable method for Block construction.

classmethod define_metadata(obj)

Define properties supported and units.

class idaes.property_models.activity_coeff_models.activity_coeff_prop_pack.ActivityCoeffStateBlock(*args, **kwargs)

Parameters:

• rule (function) – A rule function or None. Default rule calls build().
• concrete (bool) – If True, make this a toplevel model. Default - False.
• ctype (str) – Pyomo ctype of the block. Default - “Block”
• default (dict) –

  Default ProcessBlockData config

  Keys

  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 described under the “default” argument above.
• 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 overide the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(ActivityCoeffStateBlock) New instance

class idaes.property_models.activity_coeff_models.activity_coeff_prop_pack.ActivityCoeffStateBlockData(component)

An example property package for ideal VLE.

build()

Callable method for Block construction.

define_state_vars()

Define state vars.

get_energy_density_terms(p)

Create enthalpy density terms.

get_enthalpy_flow_terms(p)

Create enthalpy flow terms.

get_material_density_terms(p, j)

Create material density terms.

get_material_flow_basis()

Declare material flow basis.

get_material_flow_terms(p, j)

Create material flow terms for control volume.

model_check()

Model checks for property block.

idaes.property_models.activity_coeff_models.methane_combustion_ideal module

Example property package for the VLE calucations for a Benzene-Toluene-o-Xylene system. If using the activity coefficient models (NRTL or Wilson), the user is expected to provide the paramters necessary for these models. Please note that these parameters are declared as variables here to allow for use in a parameter estimation problem if the VLE data is available.

class idaes.property_models.activity_coeff_models.methane_combustion_ideal.MethaneParameterBlock(*args, **kwargs)

Parameters:

• rule (function) – A rule function or None. Default rule calls build().
• concrete (bool) – If True, make this a toplevel model. Default - False.
• ctype (str) – Pyomo ctype of the block. Default - “Block”
• default (dict) –

  Default ProcessBlockData config

  Keys

  default_arguments

  Default arguments to use with Property Package

  activity_coeff_model

  Methane combustion supports ideal gas only

  state_vars

  Flag indicating the choice for state variables to be used for the state block, and thus corresponding constraints should be included, default - FTPz Valid values: { “FTPx” - Total flow, Temperature, Pressure and Mole fraction, “FcTP” - Component flow, Temperature and Pressure}

  valid_phase

  Methane combustion supports ideal gas only

• initialize (dict) – ProcessBlockData config for individual elements. Keys are BlockData indexes and values are dictionaries described under the “default” argument above.
• 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 overide the default behavior of matching the BlockData index exactly to the index in initialize.

Returns:

(MethaneParameterBlock) New instance

class idaes.property_models.activity_coeff_models.methane_combustion_ideal.MethaneParameterData(component)

build()

Callable method for Block construction.