# Equilibrium Reactor¶

The IDAES Equilibrium reactor model represents a unit operation where a material stream undergoes some chemical reaction(s) to reach an equilibrium state. This model is for systems with reaction with equilibrium coefficients - for Gibbs energy minimization see Gibbs reactor documentation.

## Degrees of Freedom¶

Equilibrium reactors generally have 1 degree of freedom.

Typical fixed variables are:

• reactor heat duty (has_heat_transfer = True only).

## Model Structure¶

The core Equilibrium reactor unit model consists of a single ControlVolume0D (named control_volume) with one Inlet Port (named inlet) and one Outlet Port (named outlet).

Equilibrium reactors units write the following additional Constraints beyond those written by the Control Volume if rate controlled reactions are present.

$r_{t,r} = 0$

where $$r_{t,r}$$ is the rate of reaction for reaction $$r$$ at time $$t$$. This enforces equilibrium in any reversible rate controlled reactions which are present. Any non-reversible reaction that may be present will proceed to completion.

## Variables¶

Equilibrium reactor units add the following additional Variables beyond those created by the Control Volume.

Variable

Name

Notes

$$V_t$$

volume

If has_holdup = True this is a reference to control_volume.volume, otherwise a Var attached to the Unit Model

$$Q_t$$

heat

Only if has_heat_transfer = True, reference to control_volume.heat

## EquilibriumReactor Class¶

class idaes.models.unit_models.equilibrium_reactor.EquilibriumReactor(*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 = False. Equilibrium Reactors do not support dynamic behavior.

has_holdup

Indicates whether holdup terms should be constructed or not. default - False. Equilibrium reactors do not have defined volume, thus this must be False.

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_rate_reactions

Indicates whether terms for rate controlled reactions should be constructed, along with constraints equating these to zero, default - True. Valid values: { True - include rate reaction terms, False - exclude rate reaction terms.}

has_equilibrium_reactions

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

has_phase_equilibrium

Indicates whether terms for phase equilibrium should be constructed, default - True. Valid values: { True - include phase equilibrium term, False - exclude phase equlibirum 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_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_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, PhysicalParameterObject - a PhysicalParameterBlock 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

(EquilibriumReactor) New instance

## EquilibriumReactorData Class¶

class idaes.models.unit_models.equilibrium_reactor.EquilibriumReactorData(component)[source]

Standard Equilibrium Reactor Unit Model Class

build()[source]

Begin building model.

Parameters

None

Returns

None