Stoichiometric (Yield) Reactor

The IDAES Stoichiometric reactor model represents a unit operation where a single material stream undergoes some chemical reaction(s) subject to a set of extent or yield specifications.

Degrees of Freedom

Stoichiometric reactors generally have degrees of freedom equal to the number of reactions + 1.

Typical fixed variables are:

  • reaction extents or yields (1 per reaction),

  • reactor heat duty (has_heat_transfer = True only).

Alternative Specifications

Alternative approaches for specifying the performance of stoichiometric reactors are parameters such as conversion or selectivity. However, these parameters are defined with respect to a specific key component within the system, which is difficult to implement in a general fashion. Users are encouraged to implement additional variables and constraints to represent these parameters if desired.

Model Structure

The core Stoichiometric reactor unit model consists of a single ControlVolume0DBlock (named control_volume) with one Inlet Port (named inlet) and one Outlet Port (named outlet).

Variables

Stoichiometric reactors units add the following variables:

Variable

Name

Notes

\(X_t\)

rate_reaction_extent

Extent of reaction, indexed by time and reactions

\(Q_t\)

heat

Only if has_heat_transfer = True, reference to control_volume.heat

\(deltaP_t\)

pressure change

Only if has_pressure_change = True, reference to control_volume.deltaP

Constraints

Stoichiometric reactor units write no additional Constraints beyond those written by the control_volume Block.

StoichiometricReactor Class

class idaes.models.unit_models.stoichiometric_reactor.StoichiometricReactor(*args, **kwds)
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

  • default (dict) –

    Default ProcessBlockData config

    Keys
    dynamic

    Indicates whether this model will be dynamic or not, default = useDefault. Valid values: { useDefault - get flag from parent (default = False), True - set as a dynamic model, False - set as a steady-state model.}

    has_holdup

    Indicates whether holdup terms should be constructed or not. Must be True if dynamic = True, default - False. Valid values: { useDefault - get flag from parent (default = False), True - construct holdup terms, False - do not construct holdup terms}

    material_balance_type

    Indicates what type of mass balance should be constructed, default - MaterialBalanceType.useDefault. Valid values: { MaterialBalanceType.useDefault - refer to property package for default balance type **MaterialBalanceType.none - exclude material balances, MaterialBalanceType.componentPhase - use phase component balances, MaterialBalanceType.componentTotal - use total component balances, MaterialBalanceType.elementTotal - use total element balances, MaterialBalanceType.total - use total material balance.}

    energy_balance_type

    Indicates what type of energy balance should be constructed, default - EnergyBalanceType.useDefault. Valid values: { EnergyBalanceType.useDefault - refer to property package for default balance type **EnergyBalanceType.none - exclude energy balances, EnergyBalanceType.enthalpyTotal - single enthalpy balance for material, EnergyBalanceType.enthalpyPhase - enthalpy balances for each phase, EnergyBalanceType.energyTotal - single energy balance for material, EnergyBalanceType.energyPhase - energy balances for each phase.}

    momentum_balance_type

    Indicates what type of momentum balance should be constructed, default - MomentumBalanceType.pressureTotal. Valid values: { MomentumBalanceType.none - exclude momentum balances, MomentumBalanceType.pressureTotal - single pressure balance for material, MomentumBalanceType.pressurePhase - pressure balances for each phase, MomentumBalanceType.momentumTotal - single momentum balance for material, MomentumBalanceType.momentumPhase - momentum balances for each phase.}

    has_heat_of_reaction

    Indicates whether terms for heat of reaction terms should be constructed, default - False. Valid values: { True - include heat of reaction terms, False - exclude heat of reaction terms.}

    has_heat_transfer

    Indicates whether terms for heat transfer should be constructed, default - False. Valid values: { True - include heat transfer terms, False - exclude heat transfer terms.}

    has_pressure_change

    Indicates whether terms for pressure change should be constructed, default - False. Valid values: { True - include pressure change terms, False - exclude pressure change terms.}

    property_package

    Property parameter object used to define property calculations, default - useDefault. Valid values: { useDefault - use default package from parent model or flowsheet, PropertyParameterObject - a PropertyParameterBlock object.}

    property_package_args

    A ConfigBlock with arguments to be passed to a property block(s) and used when constructing these, default - None. Valid values: { see property package for documentation.}

    reaction_package

    Reaction parameter object used to define reaction calculations, default - None. Valid values: { None - no reaction package, ReactionParameterBlock - a ReactionParameterBlock object.}

    reaction_package_args

    A ConfigBlock with arguments to be passed to a reaction block(s) and used when constructing these, default - None. Valid values: { see reaction package for documentation.}

  • 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

(StoichiometricReactor) New instance

StoichiometricReactorData Class

class idaes.models.unit_models.stoichiometric_reactor.StoichiometricReactorData(component)[source]

Standard Stoichiometric Reactor Unit Model Class This model assumes that all given reactions are irreversible, and that each reaction has a fixed rate_reaction extent which has to be specified by the user.

build()[source]

Begin building model (pre-DAE transformation). :param None:

Returns

None