modelPartialSpeciation
Chemical Speciation
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 |
|---|---|---|---|
| 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 | 0.1 | 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 subunits in rear macromolecule state |
| Integer | nP | 0 | Number of subunits in fore macromolecule state |
Connectors
| Type | Name | Default | Description |
|---|---|---|---|
| Chemical.Interfaces.Rear[nS] | subunit_rear | Subunits in rear macromolecule state | |
| Chemical.Interfaces.Fore[nP] | subunit_fore | Subunits in fore macromolecule state | |
| Interfaces.SolutionPort | solution_rear | To connect solution of subunits with rear state of macromolecule | |
| Interfaces.SolutionPort | solution_fore | To connect solution of subunits with fore state of macromolecule | |
| Chemical.Interfaces.SolutionPort | solution | To connect substance with solution, where is pressented |
Components
| Type | Name | Default | Description |
|---|---|---|---|
| Modelica.Units.SI.MolarFlowRate | rr | Molar flow rate of change macromolecule from rear state to fore state | |
| Modelica.Units.SI.AmountOfSubstance | nm_fore | Amount of the macromolecule in fore state | |
| Modelica.Units.SI.AmountOfSubstance | nm_rear | Amount of the macromolecule in rear state | |
| Modelica.Units.SI.MoleFraction | xm_fore | Mole fraction of the macromolecule in fore state | |
| Modelica.Units.SI.MoleFraction | xm_rear | Mole fraction of the macromolecule in rear state | |
| Chemical.Interfaces.SolutionState | solutionState | ||
| Chemical.Interfaces.Definition | macromolecule_rear | Specific rear state of macromolecule composed only with connected subunits | |
| Chemical.Interfaces.Definition | macromolecule_fore | Specific fore state of macromolecule composed only with connected subunits | |
| Real | i | ||
| Real | dH | ||
| Real | dV | ||
| Real | nj | ||
| Real | mj | ||
| Real | Vj | ||
| Real | Gj | ||
| Real | Qj | ||
| Real | Ij | ||
| Real[nS] | RTlnxm_rear | ||
| Real[nP] | RTlnxm_fore |
Revisions
2013-2025 by Marek Mateják