modelPartialReaction
Chemical Reaction
Information
Notations
Ai |
i-th substance |
vi |
stochiometric coefficients of i-th substance |
K |
dissociation constant (activity based) |
a(Ai)=fi*xi |
activity of the substance A |
fi |
activity coefficient of the substance A |
xi |
mole fraction of the substance A |
ΔfHi |
molar enthalpy of formation of i-th substance |
ΔfGi |
molar Gibbs energy of formation of i-th substance |
ΔfSi |
molar entropy of formation of i-th substance |
Δrω |
change of number of microstates of particles by reaction |
Parameters
| Type | Name | Default | Description |
|---|---|---|---|
| Modelica.Units.SI.StoichiometricNumber[nS] | s | ones(nS) | Stoichiometric coefficients for substrates |
| Modelica.Units.SI.StoichiometricNumber[nP] | p | ones(nP) | Stoichiometric numbers for products |
| Advanced | |||
| Modelica.Units.SI.MolarFlowRate | n_flow_reg | dropOfCommons.n_flow_reg | Regularization threshold of mass flow rate |
| StateSelect | n_flowStateSelect | StateSelect.default | State select for n_flow |
| Modelica.Units.SI.Time | TC | dropOfCommons.TC | Time constant for electro-chemical potential adaption |
| Utilities.Units.Inertance | L | dropOfCommons.L | Inertance of the flow |
| Initialization › Molar flow | |||
| InitializationMethods | initN_flow | Chemical.Utilities.Types.InitializationMethods.none | Initialization method for n_flow |
| Modelica.Units.SI.MolarFlowRate | n_flow_0 | 0 | Initial value for n_flow |
| Utilities.Units.MolarFlowAcceleration | n_acceleration_0 | 0 | Initial value for der(n_flow) |
| General › Ports | |||
| Integer | nS | 0 | Number of substrate types |
| Integer | nP | 0 | Number of product types |
Connectors
| Type | Name | Default | Description |
|---|---|---|---|
| Chemical.Interfaces.Rear[nS] | substrates | ||
| Chemical.Interfaces.Fore[nP] | products |
Components
| Type | Name | Default | Description |
|---|---|---|---|
| Modelica.Units.SI.MolarFlowRate | rr | Reaction molar flow rate |
Revisions
2013-2025 by Marek Mateják