diff --git a/Chemical/Interfaces.mo b/Chemical/Interfaces.mo index ba29917..45c3767 100644 --- a/Chemical/Interfaces.mo +++ b/Chemical/Interfaces.mo @@ -668,6 +668,8 @@ package Interfaces "Chemical interfaces" input Modelica.Units.SI.ElectricPotential v=0 "Electric potential of the substance"; input Modelica.Units.SI.MoleFraction I=0 "Ionic strengh (mole fraction based)"; + input Modelica.Units.SI.Mass mass=1 "Mass of substance"; + input Modelica.Units.SI.AmountOfSubstance nSolution=1 "Amount of substances in solution"; output Real specificAmountOfSubstance(unit="mol/kg") "Amount of substance particles per its mass"; algorithm @@ -684,7 +686,7 @@ package Interfaces "Chemical interfaces" input Modelica.Units.SI.ElectricPotential v=0 "Electric potential of the substance"; input Modelica.Units.SI.MoleFraction I=0 "Ionic strengh (mole fraction based)"; - input Modelica.Units.SI.Mass massH2O=1 "Mass of H2O"; + input Modelica.Units.SI.Mass mass=1 "Mass of substance"; input Modelica.Units.SI.AmountOfSubstance nSolution=1 "Amount of substances in solution"; output Real specificAmountOfFreeBaseMolecule(unit="mol/kg") "Amount of substance free base molecule per substance mass"; @@ -1015,10 +1017,14 @@ end solution_temperature_; "Electric potential of the substance"; input Modelica.Units.SI.MoleFraction I=0 "Ionic strengh (mole fraction based)"; + input Modelica.Units.SI.Mass mass=1 "Mass of substance"; + input Modelica.Units.SI.AmountOfSubstance nSolution=1 "Amount of substances in solution"; output Real specificAmountOfSubstance(unit="mol/kg") "Amount of substance particles per its mass"; protected Modelica.Units.SI.MolarEnergy SelfClustering_dG; Real SelfClustering_K; + Real amountOfBaseMolecules,amountOfFreeMolecule,amountOfParticles; + Real x; algorithm if not selfClustering(substanceData) then specificAmountOfSubstance := 1/substanceData.MolarWeight; @@ -1028,7 +1034,18 @@ end solution_temperature_; SelfClustering_K := exp(-SelfClustering_dG/(Modelica.Constants.R*T)); - specificAmountOfSubstance := 1/((SelfClustering_K + 1)*substanceData.MolarWeight); + amountOfBaseMolecules:=mass/substanceData.MolarWeight; + x:=((2*SelfClustering_K+nSolution/amountOfBaseMolecules) - + sqrt((4*SelfClustering_K*nSolution/amountOfBaseMolecules)+ + (nSolution/amountOfBaseMolecules)^2)) / (2*(SelfClustering_K^2)); + + amountOfFreeMolecule := x*nSolution; + + amountOfParticles := amountOfFreeMolecule/(1 - SelfClustering_K*x); + + specificAmountOfSubstance := amountOfParticles/mass; + + //specificAmountOfSubstance := 1/((SelfClustering_K + 1)*substanceData.MolarWeight); end if; end specificAmountOfParticles; @@ -1041,7 +1058,7 @@ end solution_temperature_; input Modelica.Units.SI.ElectricPotential v=0 "Electric potential of the substance"; input Modelica.Units.SI.MoleFraction I=0 "Ionic strengh (mole fraction based)"; - input Modelica.Units.SI.Mass massH2O=1 "Mass of H2O in solution"; + input Modelica.Units.SI.Mass mass=1 "Mass of substance in solution"; input Modelica.Units.SI.AmountOfSubstance nSolution=1 "Amount of substances in solution"; output Real specificAmountOfFreeBaseMolecule(unit="mol/kg") "Amount of substance free base molecule per substance mass"; @@ -1057,12 +1074,12 @@ end solution_temperature_; SelfClustering_K := exp(-SelfClustering_dG/(Modelica.Constants.R*T)); - amountOfBaseMolecules:=massH2O/substanceData.MolarWeight; + amountOfBaseMolecules:=mass/substanceData.MolarWeight; x:=((2*SelfClustering_K+nSolution/amountOfBaseMolecules) - sqrt((4*SelfClustering_K*nSolution/amountOfBaseMolecules)+ (nSolution/amountOfBaseMolecules)^2)) / (2*(SelfClustering_K^2)); - specificAmountOfFreeBaseMolecule := (x*nSolution)/massH2O; + specificAmountOfFreeBaseMolecule := (x*nSolution)/mass; end if; annotation (Inline=true, smoothOrder=2);