Reactor_
Represents a Gibbs Reactor that uses the Reaktoro library (via Python.NET) to perform
a Gibbs free-energy minimisation for geochemical and aqueous-phase equilibrium calculations.
Supports aqueous, gaseous, liquid, and mineral phases.
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_ReaktoroGibbs : Reactor,
IExternalUnitOperationVB
<SerializableAttribute>
Public Class Reactor_ReaktoroGibbs
Inherits Reactor
Implements IExternalUnitOperation- Inheritance
- Object BaseClass UnitOpBaseClass Reactor Reactor_ReaktoroGibbs
- Implements
- IExternalUnitOperation
Constructors
| Reactor_ReaktoroGibbs | Initializes a new default instance of the Reactor_ReaktoroGibbs class. |
| Reactor_ReaktoroGibbs(String, String) | Initializes a new instance of the Reactor_ReaktoroGibbs 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) |
| Annotation | (Inherited from BaseClass) |
| AqueousPhase | Gets or sets whether an aqueous phase is included in the Reaktoro system. |
| 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 display description of this unit operation. (Overrides UnitOpBaseClassComponentDescription) |
| ComponentName | Gets or sets the display name of this unit operation. (Overrides UnitOpBaseClassComponentName) |
| CompoundConversions | Gets or sets the dictionary of compound molar conversions calculated by the reactor. |
| CompoundNames | Gets or sets a mapping from DWSIM compound names to Reaktoro species names. |
| CompoundsList | Gets or sets the list of Reaktoro species names participating in the equilibrium calculation. |
| Conversions | Gets the dictionary of calculated reaction conversions, keyed by reaction ID. (Inherited from Reactor) |
| CreateChartAction | (Inherited from BaseClass) |
| DatabaseName | Gets or sets the name of the Reaktoro thermodynamic database file (e.g. "supcrt07.xml"). |
| 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) |
| Description | Gets the description of this external unit operation. |
| 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) |
| ElementsList | Gets or sets the list of chemical element symbols used for the elemental balance. |
| EmbeddedImageData | Gets or sets the Base64-encoded embedded image data for the custom icon. |
| 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) |
| ExternalDatabaseContents | Gets or sets the full text contents of the external database file. |
| ExternalDatabaseFileName | Gets or sets the file path to the external Reaktoro database. |
| 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) |
| FlowSheet |
Gets the current flowsheet where this object is located.
(Inherited from BaseClass) |
| GaseousPhase | Gets or sets whether a gaseous phase is included in the Reaktoro system. |
| 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 this reactor has no dedicated dynamic-mode properties. (Overrides BaseClassHasPropertiesForDynamicMode) |
| Height | (Inherited from BaseClass) |
| InfoCarrierVarType | (Inherited from BaseClass) |
| 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) |
| LastSolutionInputSnapshot | (Inherited from BaseClass) |
| LastUpdated | (Inherited from BaseClass) |
| Left | (Inherited from BaseClass) |
| LiquidPhase | Gets or sets whether a liquid (non-aqueous) phase is included in the Reaktoro system. |
| MineralPhase | Gets or sets whether mineral (solid) phases are included in the Reaktoro system. |
| MobileCompatible | Gets a value indicating this reactor is not 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) |
| Prefix | Gets the default name prefix used when adding this unit operation to a flowsheet. |
| 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) |
| 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) |
| 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) |
| SpeciesMaps | Gets or sets the mapping from Reaktoro species to DWSIM compounds for output processing. |
| 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 this reactor does not support 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) |
| UseEmbeddedImage | Gets or sets whether the embedded image is used for the unit operation icon. |
| UseExternalDatabase | Gets or sets whether an external (user-supplied) database file is used instead of the built-in one. |
| UserDefinedChartNames | (Inherited from BaseClass) |
| Visible | (Inherited from BaseClass) |
| Width | (Inherited from BaseClass) |
Methods
| AddDynamicProperty | (Inherited from BaseClass) |
| AddExtraProperty | (Inherited from BaseClass) |
| AppendDebugLine | (Inherited from BaseClass) |
| Calculate |
Performs the Reaktoro Gibbs reactor calculation by invoking the Reaktoro Python library
to minimise the Gibbs free energy and determine the equilibrium product distribution.
(Overrides BaseClassCalculate(Object)) |
| 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) |
| CreateConnectors | Creates the graphic connector (port) definitions for the unit operation on the flowsheet. |
| CreateDimensionsList |
Initializes the list of equipment dimensions for this unit operation.
Override to populate the Dimensions collection with dimension entries.
(Inherited from UnitOpBaseClass) |
| CreateDynamicProperties | (Inherited from BaseClass) |
| CreateNew | (Inherited from BaseClass) |
| DeCalculate | Clears the calculated results from the outlet material streams. (Overrides UnitOpBaseClassDeCalculate) |
| DeCalculate(Object) | (Inherited from BaseClass) |
| DisplayDynamicsEditForm | (Inherited from BaseClass) |
| 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) |
| Draw | Draws the unit operation icon on the given SkiaSharp canvas. |
| FT |
Formats a property string, adding its units in parenthesis.
(Inherited from BaseClass) |
| 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 display description for this unit operation. (Overrides BaseClassGetDisplayDescription) |
| GetDisplayName | Returns the display name for this unit operation. (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 | Returns the editing form instance for this reactor. (Overrides BaseClassGetEditingForm) |
| 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) |
| GetListOfCompounds | Returns a newline-separated list of Reaktoro species names from the selected database. |
| 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 | (Inherited from BaseClass) |
| 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 | (Inherited from BaseClass) |
| GetStructuredReport | (Inherited from BaseClass) |
| GetVersion | (Inherited from BaseClass) |
| IsDynamicProperty | (Inherited from BaseClass) |
| LoadData | Restores the reactor state from XML. (Overrides ReactorLoadData(ListXElement)) |
| ObjectCopy | (Inherited from BaseClass) |
| PerformPostCalcValidation | Performs post-calculation validation checks. (Overrides BaseClassPerformPostCalcValidation) |
| PopulateEditorPanel | Populates the cross-platform editor panel with controls (not implemented for this UO). |
| 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) |
| ReturnInstance | Creates and returns a new instance of this unit operation type for deserialization. |
| RunDynamicModel | (Inherited from BaseClass) |
| SaveData | Serializes the reactor state 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
| _CanUsePreviousResults | (Inherited from BaseClass) |
| _capeopenmode | (Inherited from UnitOpBaseClass) |
| _IsDirty | (Inherited from BaseClass) |
| _pp | (Inherited from UnitOpBaseClass) |
| _ppid | (Inherited from UnitOpBaseClass) |
| AccumulationStream | (Inherited from UnitOpBaseClass) |
| CalculationRoutineOverride | (Inherited from BaseClass) |
| disposedValue | (Inherited from BaseClass) |
| ExtraPropertiesEditor | (Inherited from BaseClass) |
| f | |
| fd | (Inherited from BaseClass) |
| Image | |
| ImagePath | |
| LaunchExternalPropertyEditor | (Inherited from BaseClass) |
| m_componentconversions | (Inherited from Reactor) |
| m_conversions | (Inherited from Reactor) |
| m_dp | (Inherited from Reactor) |
| m_DQ | (Inherited from Reactor) |
| m_dt | (Inherited from Reactor) |
| m_flowsheet | (Inherited from BaseClass) |
| m_opmode | (Inherited from Reactor) |
| m_reactions | (Inherited from Reactor) |
| m_reactionSequence | (Inherited from Reactor) |
| m_reactionSetID | (Inherited from Reactor) |
| m_reactionSetName | (Inherited from Reactor) |
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) |