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New interfaces: SubstanceInlet, SubstanceOutlet, SISIFlow
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@MarekMatejak
MarekMatejak committed Nov 24, 2023
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Expand Up @@ -5137,6 +5137,174 @@ end solution_temperature_;
<p>Marek Matejak, Charles University, Prague, Czech Republic </p>
</html>"));
end SubstanceMolarityPort_b;

connector SubstanceInlet "Electro-chemical potential and molar change of the substance in the solution"

Modelica.Units.SI.ChemicalPotential r
"Inertial Electro-chemical potential";

flow Modelica.Units.SI.MolarFlowRate n_flow
"Molar change of the substance";

input Modelica.Units.SI.ChemicalPotential u
"Electro-chemical potential";

input Modelica.Units.SI.MolarEnthalpy h
"Enthalphy of the substance";

annotation (Icon(coordinateSystem(preserveAspectRatio=true), graphics={
Polygon(
points={{-100,100},{-40,0},{-100,-100},{100,0},{-100,100}},
fillColor={194,138,221},
fillPattern=FillPattern.Solid,
lineThickness=0.5,
lineColor={158,66,200})}),
Diagram(coordinateSystem(preserveAspectRatio=true), graphics={
Polygon(
points={{52,0},{-48,50},{-28,0},{-48,-50},{52,0}},
fillColor={194,138,221},
fillPattern=FillPattern.Solid,
lineThickness=0.5,
lineColor={158,66,200})}),
Documentation(revisions="<html>
<p><i>2023</i></p>
<p>Marek Matejak </p>
</html>", info="<html>
<p>Chemical streams:</p>
<h4>u = û + r</h4>
<h4>r = der(q)*L</h4>
<p>u .. electro-chemical potential</p>
<p>û .. steady-state electro-chemical potential</p>
<p>r .. electro-chemical inertia</p>
<p>q .. molar flow rate</p>
<p>L .. electro-chemical inductance</p>
<p>Definition of electro-chemical potential of the substance:</p>
<h4>u(x,T,v) = u&deg;(T) + R*T*ln(gamma*x) + z*F*v</h4>
<h4>u&deg;(T) = DfG(T) = DfH - T * DfS</h4>
<p>where</p>
<p>x .. mole fraction of the substance in the solution</p>
<p>T .. temperature in Kelvins</p>
<p>v .. eletric potential of the solution</p>
<p>z .. elementary charge of the substance (like -1 for electron, +2 for Ca^2+)</p>
<p>R .. gas constant</p>
<p>F .. Faraday constant</p>
<p>gamma .. activity coefficient</p>
<p>u&deg;(T) .. chemical potential of pure substance</p>
<p>DfG(T) .. free Gibbs energy of formation of the substance at current temperature T. </p>
<p>DfH .. free enthalpy of formation of the substance</p>
<p>DfS .. free entropy of formation of the substance </p>
<p><br>Be carefull, DfS is not the same as absolute entropy of the substance S&deg; from III. thermodinamic law! It must be calculated from tabulated value of DfG(298.15 K) and DfH as DfS=(DfH - DfG)/298.15. </p>
</html>"));
end SubstanceInlet;

connector SubstanceOutlet "Electro-chemical potential and molar change of the substance in the solution"

Modelica.Units.SI.ChemicalPotential r
"Inertial Electro-chemical potential";

flow Modelica.Units.SI.MolarFlowRate n_flow
"Molar change of the substance";

output Modelica.Units.SI.ChemicalPotential u
"Electro-chemical potential";

output Modelica.Units.SI.MolarEnthalpy h
"Enthalphy of the substance";

annotation (
Icon(coordinateSystem(preserveAspectRatio=true), graphics={
Polygon(
points={{100,0},{-100,100},{-40,0},{-100,-100},{100,0}},
fillColor={255,255,255},
fillPattern=FillPattern.Solid,
lineColor={158,66,200},
lineThickness=0.5)}),
Diagram(coordinateSystem(preserveAspectRatio=true), graphics={
Polygon(
points={{50,0},{-50,50},{-30,0},{-50,-50},{50,0}},
fillColor={255,255,255},
fillPattern=FillPattern.Solid,
lineColor={158,66,200},
lineThickness=0.5)}),
Documentation(revisions="<html>
<p><i>2023</i></p>
<p>Marek Matejak </p>
</html>", info="<html>
<p>Chemical streams:</p>
<h4>u = û + r</h4>
<h4>r = der(q)*L</h4>
<p>u .. electro-chemical potential</p>
<p>û .. steady-state electro-chemical potential</p>
<p>r .. inertial electro-chemical potential</p>
<p>q .. molar flow rate</p>
<p>L .. electro-chemical inductance</p>
<p>Definition of electro-chemical potential of the substance:</p>
<h4>u(x,T,v) = u&deg;(T) + R*T*ln(gamma*x) + z*F*v</h4>
<h4>u&deg;(T) = DfG(T) = DfH - T * DfS</h4>
<p>where</p>
<p>x .. mole fraction of the substance in the solution</p>
<p>T .. temperature in Kelvins</p>
<p>v .. eletric potential of the solution</p>
<p>z .. elementary charge of the substance (like -1 for electron, +2 for Ca^2+)</p>
<p>R .. gas constant</p>
<p>F .. Faraday constant</p>
<p>gamma .. activity coefficient</p>
<p>u&deg;(T) .. chemical potential of pure substance</p>
<p>DfG(T) .. free Gibbs energy of formation of the substance at current temperature T. </p>
<p>DfH .. free enthalpy of formation of the substance</p>
<p>DfS .. free entropy of formation of the substance </p>
<p><br>Be carefull, DfS is not the same as absolute entropy of the substance S&deg; from III. thermodinamic law! It must be calculated from tabulated value of DfG(298.15 K) and DfH as DfS=(DfH - DfG)/298.15. </p>
</html>"));
end SubstanceOutlet;

partial model SISOFlow "Base Model with basic flow eqautions for SISO"

parameter Real L=1 "Inertance of the molar flow" annotation (Dialog(tab="Advanced"));
parameter Modelica.Units.SI.MolarFlowRate n_flow_0=0 "Initial value for n_flow"
annotation (Dialog(
tab="Initialization",
group="Molar flow"));
parameter Real n_acceleration_0=0 "Initial value for der(n_flow)"
annotation (Dialog(
tab="Initialization",
group="Molar flow"));
SubstanceInlet inlet annotation (Placement(transformation(extent={{-120,-20},{-80,20}})));
SubstanceOutlet outlet annotation (Placement(transformation(extent={{80,-20},{120,20}})));

Modelica.Units.SI.MolarFlowRate n_flow
=inlet.n_flow "Molar flow through component";
Modelica.Units.SI.ChemicalPotential du;

// inlet state quantities
protected
Modelica.Units.SI.ChemicalPotential u_in=inlet.u "Electro-chemical potential of substance entering";
Modelica.Units.SI.MolarEnthalpy h_in=inlet.h "Enthalpy of substance enetering";

//outlet state quantities
Modelica.Units.SI.ChemicalPotential u_out "Electro-chemical potential of substance exiting";
Modelica.Units.SI.MolarEnthalpy h_out "Enthalpy of substance exiting";

initial equation
n_flow = n_flow_0;
equation

inlet.n_flow + outlet.n_flow = 0;
outlet.r = inlet.r - der(inlet.n_flow) * L;

u_out = u_in + du;

outlet.u = u_out;
outlet.h = h_out;

annotation (Documentation(info="<html>
<p>Interface class for all components with an Inlet and an Outlet and a molarflow without a mass storage between.</p>
<p>This class already implements the equations that are common for such components, namly the conservation of mass, the intertance equation. </p>
</html>"));
end SISOFlow;
end Interfaces;
annotation (
preferredView="info",
Expand All @@ -5154,7 +5322,7 @@ conversion(
to="1.4.1"),
from(version="1.0.0", script="modelica://Chemical/Resources/Scripts/Dymola/ConvertChemical_from_1.0_to_1.4.mos",
to="1.4.1")),
uses( Modelica(version="4.0.0")),
uses( Modelica(version="4.0.0"), ThermofluidStream(version="1.1.0")),
Documentation(revisions="<html>
<p>Copyright (c) 2023, Marek Matej&aacute;k, Ph.D. </p>
<p>All rights reserved. </p>
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