Reactor_
Represents a Gibbs Reactor that determines the equilibrium product composition by
minimising the total Gibbs free energy of the system. Two solving approaches are available:
direct minimisation (elemental balance constraints) and reaction-extent minimisation.
Definition
Namespace: DWSIM.UnitOperations.Reactors
Assembly: DWSIM.UnitOperations (in DWSIM.UnitOperations.dll) Version: 10.0.0.0
Assembly: DWSIM.UnitOperations (in DWSIM.UnitOperations.dll) Version: 10.0.0.0
C#
[SerializableAttribute]
public class Reactor_Gibbs : ReactorVB
<SerializableAttribute>
Public Class Reactor_Gibbs
Inherits Reactor- Inheritance
- Object BaseClass UnitOpBaseClass Reactor Reactor_Gibbs
Constructors
| Reactor_Gibbs | Initializes a new default instance of the Reactor_Gibbs class. |
| Reactor_Gibbs(String, String) | Initializes a new instance of the Reactor_Gibbs class with a name and description. |
Properties
| AdjustVarType |
If an Adjust object is attached to this object, returns a variable describing how this object is used by it (manipulated, controlled or reference).
(Inherited from BaseClass) |
| AlternateSolvingMethod | Gets or sets whether the alternate (Lagrange multiplier) solving method is used. |
| Annotation | (Inherited from BaseClass) |
| AttachedAdjustId |
If an Adjust object is attached to this object, returns its ID.
(Inherited from BaseClass) |
| AttachedInfoCarrierId | (Inherited from BaseClass) |
| AttachedSpecId |
If an Specification object is attached to this object, returns its ID.
(Inherited from BaseClass) |
| AttachedUtilities | (Inherited from BaseClass) |
| Bottom | (Inherited from BaseClass) |
| Calculated | (Inherited from BaseClass) |
| CanUsePreviousResults | (Inherited from BaseClass) |
| ComponentConversions | Gets the dictionary of calculated component conversions, keyed by compound name. (Inherited from Reactor) |
| ComponentDescription |
Gets or sets the CAPE-OPEN component description for this unit operation.
(Inherited from UnitOpBaseClass) |
| ComponentIDs | Gets or sets the list of compound IDs used in direct minimisation. |
| ComponentIDs_RE | Gets or sets the list of compound IDs used in reaction-extent mode. |
| ComponentName |
Gets or sets the CAPE-OPEN component name for this unit operation.
(Inherited from UnitOpBaseClass) |
| Conversions | Gets the dictionary of calculated reaction conversions, keyed by reaction ID. (Inherited from Reactor) |
| CreateChartAction | (Inherited from BaseClass) |
| DampingLowerLimit | Gets or sets the lower bound for the damping factor. |
| DampingUpperLimit | Gets or sets the upper bound for the damping factor. |
| DebugMode | (Inherited from BaseClass) |
| DebugText | (Inherited from BaseClass) |
| DeltaP | Gets or sets the pressure drop across the reactor (Pa). (Inherited from Reactor) |
| DeltaQ | Gets or sets the heat duty exchanged by the reactor (kW). (Inherited from Reactor) |
| DeltaT | Gets or sets the temperature change across the reactor (K). (Inherited from Reactor) |
| DerivativePerturbation | Gets or sets the relative perturbation used for numerical derivative estimation. |
| DetailedDebugReport | (Inherited from BaseClass) |
| Dimensions |
Gets or sets the list of physical dimensions (e.g. vessel diameter, length) associated with this unit operation.
(Inherited from UnitOpBaseClass) |
| DynamicsOnly | (Inherited from BaseClass) |
| DynamicsSpec | (Inherited from BaseClass) |
| ElementBalance | Gets or sets the relative element balance error after convergence. |
| ElementMatrix | Gets or sets the element–compound formula matrix used for elemental balance constraints. |
| Elements | Gets or sets the array of chemical element symbols involved in the minimisation. |
| EnableDamping | Gets or sets whether damping is applied to the Newton step during the Lagrange method iteration. |
| EnergyFlow |
Energy Flow property. Only implemented for Energy Streams.
(Inherited from BaseClass) |
| EquipmentTypes |
Gets the list of available equipment type names supported by this unit operation.
(Inherited from UnitOpBaseClass) |
| ErrorMessage |
Gets or sets the error message regarding the last calculation attempt.
(Inherited from BaseClass) |
| ExternalSolverConfigData |
Gets or sets serialized configuration data for the external solver associated with this unit operation.
(Inherited from UnitOpBaseClass) |
| ExternalSolverID |
Gets or sets the unique identifier of an external solver to be used for this unit operation.
(Inherited from UnitOpBaseClass) |
| ExtraProperties | (Inherited from BaseClass) |
| ExtraPropertiesDescriptions | (Inherited from BaseClass) |
| ExtraPropertiesTypes | (Inherited from BaseClass) |
| ExtraPropertiesUnitTypes | (Inherited from BaseClass) |
| FinalGibbsEnergy | Gets or sets the final total Gibbs free energy after minimisation. |
| FlowSheet |
Gets the current flowsheet where this object is located.
(Inherited from BaseClass) |
| GHGEmissionData | (Inherited from BaseClass) |
| GraphicObject |
Gets or sets the graphic object representation of this object in the flowsheet.
(Inherited from BaseClass) |
| HasPropertiesForDynamicMode | Gets a value indicating whether this reactor exposes dedicated dynamic-mode properties. (Overrides BaseClassHasPropertiesForDynamicMode) |
| Height | (Inherited from BaseClass) |
| InfoCarrierVarType | (Inherited from BaseClass) |
| InitialEstimates | Gets or sets the list of user-supplied initial estimates for the minimisation variables. |
| InitialGibbsEnergy | Gets or sets the initial total Gibbs free energy before minimisation. |
| InitializeFromPreviousSolution | Gets or sets whether the solver initialises from the previous converged solution. |
| InternalTolerance | Gets or sets the convergence tolerance for the inner minimisation loop. |
| IsAdjustAttached |
Checks if an Adjust operation is attached to this object.
(Inherited from BaseClass) |
| IsDirty | (Inherited from BaseClass) |
| IsFunctional | (Inherited from BaseClass) |
| IsInfoCarrierAttached | (Inherited from BaseClass) |
| IsSink | (Inherited from BaseClass) |
| IsSource | (Inherited from BaseClass) |
| IsSpecAttached |
Checks if an Specification operation is attached to this object.
(Inherited from BaseClass) |
| LagrangeCoeffsEstimationTemperature | Gets or sets the temperature (K) used to estimate initial Lagrange coefficients. |
| LastSolutionInputSnapshot | (Inherited from BaseClass) |
| LastUpdated | (Inherited from BaseClass) |
| Left | (Inherited from BaseClass) |
| MaximumInternalIterations | Gets or sets the maximum number of iterations for the inner minimisation loop. |
| MobileCompatible | Gets a value indicating whether this reactor is compatible with mobile/cross-platform interfaces. (Overrides BaseClassMobileCompatible) |
| Name |
Object's Unique ID (Name)
(Inherited from BaseClass) |
| ObjectClass | Gets or sets the simulation object class category (Reactors). (Inherited from Reactor) |
| OutletTemperature | Gets or sets the specified reactor outlet temperature (K) when OutletTemperature is selected. (Inherited from Reactor) |
| OverrideCalculationRoutine | (Inherited from BaseClass) |
| ParticleSizeDistributions |
Gets or sets the dictionary of particle size distribution data, keyed by compound or stream name.
(Inherited from UnitOpBaseClass) |
| Phases |
Phase collection, only implemented for Material Streams.
(Inherited from BaseClass) |
| PreferredFlashAlgorithmTag | (Inherited from BaseClass) |
| PreviousSolution | Gets or sets the list of variable values from the previous solution, used for warm-starting. |
| ProductAssembly | (Inherited from BaseClass) |
| ProductAuthor | (Inherited from BaseClass) |
| ProductContactInfo | (Inherited from BaseClass) |
| ProductDescription | (Inherited from BaseClass) |
| ProductName | (Inherited from BaseClass) |
| ProductPage | (Inherited from BaseClass) |
| ProductVersion | (Inherited from BaseClass) |
| PropertyPackage |
Gets or sets the property package associated with this object.
(Inherited from UnitOpBaseClass) |
| ReactionExtents | Gets the dictionary of calculated reaction extents, keyed by reaction ID. |
| Reactions | Gets or sets the list of active reaction IDs assigned to this reactor from the reaction set. (Inherited from Reactor) |
| ReactionSetID | Gets or sets the ID of the reaction set used by this reactor. (Inherited from Reactor) |
| ReactionSetName | Gets or sets the display name of the reaction set used by this reactor. (Inherited from Reactor) |
| ReactionsSequence | Gets or sets the ordered sequence of reaction groups (parallel reactions within each group are solved simultaneously). (Inherited from Reactor) |
| ReactivePhaseBehavior | Gets or sets the reactive-phase behaviour for the Gibbs minimisation. |
| ReactorOperationMode | Gets or sets the thermal operating mode of the reactor (isothermal, adiabatic, outlet temperature, or non-isothermal/non-adiabatic). (Inherited from Reactor) |
| Right | (Inherited from BaseClass) |
| SelectedEquipmentType |
Gets or sets the name of the equipment type currently selected for this unit operation.
(Inherited from UnitOpBaseClass) |
| SpecVarType |
If an Specification object is attached to this object, returns a variable describing how this object is used by it (target or source).
(Inherited from BaseClass) |
| StoreDetailedDebugReport | (Inherited from BaseClass) |
| SupportsDynamicMode | Gets a value indicating whether this reactor supports dynamic simulation mode. (Overrides BaseClassSupportsDynamicMode) |
| SupportsParticleSizeDistributions |
Gets a value indicating whether this unit operation supports particle size distribution calculations.
(Inherited from UnitOpBaseClass) |
| SupportsRestoreStateAfterError |
Gets a value indicating whether this unit operation supports restoring its state after a solver error.
(Inherited from UnitOpBaseClass) |
| Top | (Inherited from BaseClass) |
| TotalElements | Gets or sets the array of total element amounts (mol) in the feed. |
| UseIPOPTSolver | Gets or sets whether the IPOPT solver is used for the Gibbs minimisation. |
| UserDefinedChartNames | (Inherited from BaseClass) |
| Visible | (Inherited from BaseClass) |
| Width | (Inherited from BaseClass) |
Methods
| AddButtonsToDynEditor | |
| AddDynamicProperty | (Inherited from BaseClass) |
| AddExtraProperty | (Inherited from BaseClass) |
| AppendDebugLine | (Inherited from BaseClass) |
| Calculate |
Performs the Gibbs reactor calculation, delegating to either direct minimisation
or Lagrange multiplier method depending on the selected solving approach.
(Overrides BaseClassCalculate(Object)) |
| Calculate_GibbsMin | Solves the Gibbs minimisation using IPOPT or simplex subject to elemental balance constraints. |
| Calculate_Lagrange | Solves the Gibbs minimisation using the Lagrange multiplier (simultaneous correction) method. |
| CheckCompoundIDs | Validates and updates the compound ID list, removing compounds no longer present in the simulation. |
| CheckDirtyStatus |
Checks whether the unit operation's input data has changed since the last successful solve,
and updates the dirty flag accordingly.
(Inherited from UnitOpBaseClass) |
| CheckSpec |
Checks if a value is valid.
(Inherited from BaseClass) |
| ClearExtraProperties | (Inherited from BaseClass) |
| ClearPropertyPackageInstance |
Removes the externally set property package instance from this unit operation,
reverting to the flowsheet-level property package lookup.
(Inherited from UnitOpBaseClass) |
| Clone |
Clones the current object, returning a new one with identical properties.
(Inherited from BaseClass) |
| CloneJSON | Creates a deep copy of this reactor via JSON serialization. (Overrides BaseClassCloneJSON) |
| CloneXML | Creates a deep copy of this reactor via XML serialization. (Overrides BaseClassCloneXML) |
| CloseDynamicsEditForm | (Inherited from BaseClass) |
| CloseEditForm | Closes and disposes the editing form. (Overrides BaseClassCloseEditForm) |
| ConnectEnergyStream | (Inherited from BaseClass) |
| ConnectFeedEnergyStream | (Inherited from BaseClass) |
| ConnectFeedMaterialStream | (Inherited from BaseClass) |
| ConnectProductEnergyStream | (Inherited from BaseClass) |
| ConnectProductMaterialStream | (Inherited from BaseClass) |
| CopyDataToClipboard |
Copies the object properties to the Clipboard.
(Inherited from BaseClass) |
| CreateDimensionsList |
Initializes the list of equipment dimensions for this unit operation.
Override to populate the Dimensions collection with dimension entries.
(Inherited from UnitOpBaseClass) |
| CreateDynamicProperties | Registers the dynamic properties for dynamic simulation mode. (Overrides BaseClassCreateDynamicProperties) |
| CreateElementMatrix | Builds the element–compound formula matrix from the compound database, identifying which chemical elements are present and their stoichiometric counts per compound. |
| CreateNew | (Inherited from BaseClass) |
| DeCalculate | Clears the calculated results from the outlet material streams. (Overrides UnitOpBaseClassDeCalculate) |
| DeCalculate(Object) | (Inherited from BaseClass) |
| DisplayDynamicsEditForm | Opens or activates the dynamics property editor form for this reactor. (Overrides BaseClassDisplayDynamicsEditForm) |
| DisplayEditForm | Opens or activates the editing form for this reactor. (Overrides BaseClassDisplayEditForm) |
| DisplayExtraPropertiesEditForm | (Inherited from BaseClass) |
| Dispose | (Inherited from BaseClass) |
| Dispose(Boolean) | (Inherited from BaseClass) |
| FixFugCoeff | |
| FT |
Formats a property string, adding its units in parenthesis.
(Inherited from BaseClass) |
| FunctionGradient2N | |
| FunctionValue2FC | |
| FunctionValue2G | |
| FunctionValue2G2 | |
| FunctionValue2N | |
| GetAsObject | (Inherited from BaseClass) |
| GetBytesFromResource | (Inherited from BaseClass) |
| GetCalculationModes |
Returns the list of available calculation mode names for this unit operation.
(Inherited from UnitOpBaseClass) |
| GetChartModel | (Inherited from BaseClass) |
| GetChartModelNames | (Inherited from BaseClass) |
| GetConnectionPortsInfo | (Inherited from BaseClass) |
| GetConnectionPortsList | (Inherited from BaseClass) |
| GetConvFactors |
Calculates the concentration-unit conversion factors for every stoichiometric component in
the given reaction, based on the reaction basis (molar, mass, activity, fugacity, etc.).
(Inherited from Reactor) |
| GetDebugReport |
Runs the unit operation in debug mode and returns a formatted text report
containing intermediate calculation steps and any error information.
(Inherited from UnitOpBaseClass) |
| GetDebugWriter | (Inherited from BaseClass) |
| GetDefaultProperties | (Inherited from BaseClass) |
| GetDisplayDescription | Returns the localised display description for this reactor. (Overrides BaseClassGetDisplayDescription) |
| GetDisplayName | Returns the localised display name for this reactor. (Overrides BaseClassGetDisplayName) |
| GetDynamicContents |
Returns the current mass held in the accumulation stream of this unit operation.
(Inherited from UnitOpBaseClass) |
| GetDynamicProperty | (Inherited from BaseClass) |
| GetDynamicPropertyUnitType | (Inherited from BaseClass) |
| GetDynamicResidenceTime |
Returns the dynamic residence time of this unit operation, computed as volume divided
by the total volumetric inlet flow rate.
(Inherited from UnitOpBaseClass) |
| GetDynamicVolume |
Returns the dynamic volume of this unit operation from its dynamic property store.
(Inherited from UnitOpBaseClass) |
| GetEditingForm | (Inherited from BaseClass) |
| GetEnergyBalanceResidual | (Inherited from BaseClass) |
| GetEnergyConsumption |
Returns the total energy consumed by this unit operation by summing the energy flows
from all connected energy streams and the energy connector.
(Inherited from UnitOpBaseClass) |
| GetExtraPropertyValue | (Inherited from BaseClass) |
| GetFlowsheet | (Inherited from BaseClass) |
| GetIconBitmap | Returns the icon bitmap resource for this unit operation. (Overrides BaseClassGetIconBitmap) |
| GetIconBitmapBytes | Returns the icon bitmap as a byte array. (Overrides BaseClassGetIconBitmapBytes) |
| GetKeyPropertyNames |
Returns the names of the key output properties reported by this unit operation.
(Inherited from UnitOpBaseClass) |
| GetKeyPropertyUnits |
Returns the display unit string for a named key property.
(Inherited from UnitOpBaseClass) |
| GetKeyPropertyValue |
Returns the current numeric value of a named key property in SI units.
(Inherited from UnitOpBaseClass) |
| GetMassBalanceResidual | (Inherited from BaseClass) |
| GetPowerGeneratedOrConsumed | (Inherited from BaseClass) |
| GetPreferredGraphicObjectHeight | (Inherited from BaseClass) |
| GetPreferredGraphicObjectWidth | (Inherited from BaseClass) |
| GetProperties | Returns an array of property identifiers for the specified property type. (Overrides BaseClassGetProperties(PropertyType)) |
| GetProperties2 | (Inherited from BaseClass) |
| GetPropertyDescription | Returns a human-readable description of the specified property. (Overrides BaseClassGetPropertyDescription(String)) |
| GetPropertyUnit | Returns the unit string for the specified property. (Overrides BaseClassGetPropertyUnit(String, IUnitsOfMeasure)) |
| GetPropertyUnits2 | (Inherited from BaseClass) |
| GetPropertyValue | Returns the value of the specified property, converted to the given unit system. (Overrides UnitOpBaseClassGetPropertyValue(String, IUnitsOfMeasure)) |
| GetPropertyValue2 | (Inherited from BaseClass) |
| GetReport | Generates a plain-text report of the reactor results using the specified units and format. (Overrides BaseClassGetReport(IUnitsOfMeasure, CultureInfo, String)) |
| GetStructuredReport | Generates a structured report of the reactor results as a list of typed tuples. (Overrides BaseClassGetStructuredReport) |
| GetVersion | (Inherited from BaseClass) |
| IsDynamicProperty | (Inherited from BaseClass) |
| LoadData | Restores the reactor state, including element matrices and initial estimates, from XML. (Overrides ReactorLoadData(ListXElement)) |
| ObjectCopy | (Inherited from BaseClass) |
| PerformPostCalcValidation | (Inherited from BaseClass) |
| ProcessAdvancedKineticReactionRate |
Evaluates a user-defined Python script that returns the reaction rate for an advanced
kinetic expression. The script receives the reactor, reaction, temperature, pressure, and
component amounts as variables and must set the variable r to the computed rate.
(Inherited from Reactor) |
| RemoveDynamicProperty | (Inherited from BaseClass) |
| RemoveExtraProperty | (Inherited from BaseClass) |
| ReturnPenaltyValue | |
| RunDynamicModel | Executes one dynamic simulation time step for the Gibbs reactor. (Overrides BaseClassRunDynamicModel) |
| SaveData | Serializes the reactor state, including element matrices and compound lists, to XML. (Overrides ReactorSaveData) |
| SetCalculationMode |
Sets the active calculation mode for this unit operation by numeric identifier.
(Inherited from UnitOpBaseClass) |
| SetCanUsePreviousResults | (Inherited from BaseClass) |
| SetDirtyStatus | (Inherited from BaseClass) |
| SetDynamicProperty | (Inherited from BaseClass) |
| SetExtraPropertyValue | (Inherited from BaseClass) |
| SetFlowsheet |
Sets the Flowsheet to which this object belongs to.
(Inherited from BaseClass) |
| SetKeyPropertyValue |
Sets the value of a named key property, converting from the supplied units to SI internally.
(Inherited from UnitOpBaseClass) |
| SetPropertyPackageInstance |
Assigns an externally supplied property package instance to this unit operation,
bypassing the flowsheet-level property package lookup.
(Inherited from UnitOpBaseClass) |
| SetPropertyValue | Sets the value of the specified property from the given value and unit system. (Overrides BaseClassSetPropertyValue(String, Object, IUnitsOfMeasure)) |
| SetPropertyValue2 | (Inherited from BaseClass) |
| Solve |
Solves the unit operation, optionally saving and restoring state on error
when the flowsheet option RestoreUnitOperationStateAfterError is enabled.
(Inherited from UnitOpBaseClass) |
| StoreDebugReport | (Inherited from BaseClass) |
| ToString | (Inherited from BaseClass) |
| TransferAdditionalSolidData | (Inherited from BaseClass) |
| Unsolve |
Decalculates the object.
(Inherited from UnitOpBaseClass) |
| UpdateDimensionsList |
Updates the equipment dimensions list after a successful calculation.
Override to refresh computed dimension values.
(Inherited from UnitOpBaseClass) |
| UpdateDynamicsEditForm | (Inherited from BaseClass) |
| UpdateEditForm | Refreshes the editing form with updated data. (Overrides BaseClassUpdateEditForm) |
| UpdateExtraPropertiesEditForm | (Inherited from BaseClass) |
| Validate | Validates that inlet and outlet streams are connected before calculation. (Overrides BaseClassValidate) |
Fields
Extension Methods
| GetEnergyStream | (Defined by StreamListExtender) |
| GetEnumNames | (Defined by General) |
| GetInletEnergyStream | (Defined by StreamListExtender) |
| GetInletMaterialStream | (Defined by StreamListExtender) |
| GetOutletEnergyStream | (Defined by StreamListExtender) |
| GetOutletMaterialStream | (Defined by StreamListExtender) |
| IsValidDouble | (Defined by General) |