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stoichiometric_reactor.rst

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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
Xt rate_reaction_extent Extent of reaction, indexed by time and reactions
Qt heat Only if has_heat_transfer = True, reference to control_volume.heat
deltaPt 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

idaes.generic_models.unit_models.stoichiometric_reactor

StoichiometricReactor

StoichiometricReactorData Class

StoichiometricReactorData