Reaction Class
Definition
Namespace: DWSIM.Thermodynamics.BaseClasses
Assembly: DWSIM.Thermodynamics (in DWSIM.Thermodynamics.dll) Version: 10.0.0.0
Assembly: DWSIM.Thermodynamics (in DWSIM.Thermodynamics.dll) Version: 10.0.0.0
C#
[SerializableAttribute]
[XmlRootAttribute(ElementName = "Reaction")]
public class Reaction : ICloneable, ICustomXMLSerialization,
IReactionVB
<SerializableAttribute>
<XmlRootAttribute(ElementName := "Reaction")>
Public Class Reaction
Implements ICloneable, ICustomXMLSerialization, IReaction- Inheritance
- Object Reaction
- Implements
- ICustomXMLSerialization, IReaction, ICloneable
Constructors
| Reaction | Initializes a new instance of the Reaction class with default values. |
| Reaction(String, String) | Initializes a new instance of the Reaction class with a name and identifier. |
| Reaction(String, String, String) | Initializes a new instance of the Reaction class with a name, identifier, and description. |
Properties
| A_Forward | Gets or sets the pre-exponential factor for the forward Arrhenius rate constant. |
| A_Reverse | Gets or sets the pre-exponential factor for the reverse Arrhenius rate constant. |
| Approach | Gets or sets the reaction approach-to-equilibrium fraction (for conversion reactions). |
| BaseReactant | Gets or sets the name of the base reactant compound for this reaction. |
| Components | Gets the dictionary of stoichiometric components participating in this reaction, keyed by compound name. |
| ConcUnit | Gets or sets the concentration unit string for the rate expression. |
| ConstantKeqValue | Gets or sets the constant equilibrium K value used when the K expression type is set to Constant. |
| Description | Gets or sets the text description of this reaction. |
| E_Forward | Gets or sets the activation energy for the forward reaction (J/mol). |
| E_Forward_Unit | Gets or sets the unit of the forward activation energy (e.g., "J/mol"). |
| E_Reverse | Gets or sets the activation energy for the reverse reaction (J/mol). |
| E_Reverse_Unit | Gets or sets the unit of the reverse activation energy (e.g., "J/mol"). |
| Equation | Gets or sets the stoichiometric equation string for this reaction. |
| EquilibriumReactionBasisUnits | Gets or sets the units string for the equilibrium constant basis (e.g., "Pa"). |
| Expression | |
| ID | Gets or sets the unique identifier (GUID string) for this reaction. |
| KExprType | Gets or sets the equilibrium constant expression type (Constant, Expression, or Gibbs). |
| Kvalue | Gets or sets the current calculated equilibrium constant value for this reaction. |
| Name | Gets or sets the name of this reaction. |
| Rate | Gets or sets the current calculated reaction rate. |
| RateEquationDenominator | Gets or sets the denominator expression string for LHHW-type rate equations. |
| RateEquationNumerator | Gets or sets the numerator expression string for LHHW-type rate equations. |
| ReactionBasis | Gets or sets the concentration basis used for the reaction rate expression. |
| ReactionGibbsEnergy | Gets or sets the Gibbs energy change of reaction (kJ/mol). |
| ReactionHeat | Gets or sets the heat of reaction (kJ/mol) at standard conditions. |
| ReactionHeatCO | Gets or sets the heat of reaction (kJ/mol) as used by CAPE-OPEN interfaces. |
| ReactionKinetics | Gets or sets the kinetics formulation type for this reaction (Expression or Script). |
| ReactionKinFwdExpression | Gets or sets the user-defined expression string for the forward kinetic rate. |
| ReactionKinFwdType | Gets or sets the forward kinetic rate type (Arrhenius or expression-based). |
| ReactionKinRevExpression | Gets or sets the user-defined expression string for the reverse kinetic rate. |
| ReactionKinRevType | Gets or sets the reverse kinetic rate type (Arrhenius or expression-based). |
| ReactionPhase | Gets or sets the phase in which this reaction takes place (Vapor, Liquid, or Overall). |
| ReactionType | Gets or sets the type of this reaction (Kinetic, Equilibrium, Conversion, or Heterogeneous Catalytic). |
| ScriptTitle | Gets or sets the title of the script used for kinetic evaluation when using Script kinetics. |
| StoichBalance | Gets or sets the stoichiometric balance check value for this reaction. |
| Tmax | Gets or sets the maximum temperature for this reaction (K). |
| Tmin | Gets or sets the minimum temperature for this reaction (K). |
| VelUnit | Gets or sets the velocity (rate) unit string for this reaction. |
Methods
| Clone | Creates a deep copy of this reaction with a new unique ID. |
| EvaluateK | Evaluates the equilibrium constant K for this reaction at a given temperature using the configured calculation method. |
| EvaluateK1 | Evaluates the equilibrium constant K for this reaction at a given temperature (interface implementation). |
| GetPropertyList | Returns a list of property identifiers that can be retrieved or set for this reaction. |
| GetPropertyValue | Returns the numeric value of a named reaction property. |
| LoadData | Loads reaction data from a list of XML elements, including stoichiometric component data. |
| ObjectCopy | Performs a binary serialization-based deep copy of a Reaction object. |
| SaveData | Saves reaction data, including stoichiometric component data, to a list of XML elements. |
| SetPropertyValue | Sets the numeric value of a named reaction property. |
| ToString |
Returns the reaction name, or the default object string if the name is empty.
(Overrides ObjectToString) |
Fields
Extension Methods
| GetEnumNames | (Defined by General) |
| IsValidDouble | (Defined by General) |