diff --git a/Physiolibrary/Chemical.mo b/Physiolibrary/Chemical.mo
index b6cf3a0..268de75 100644
--- a/Physiolibrary/Chemical.mo
+++ b/Physiolibrary/Chemical.mo
@@ -807,7 +807,7 @@ package Chemical "Domain with Molar Concentration and Molar Flow"
annotation (Placement(transformation(extent={{-32,-76},{-52,-56}})));
Components.Speciation
T0_in_T(NumberOfSubunitTypes=4)
- annotation (Placement(transformation(extent={{68,-76},{48,-56}})));
+ annotation (Placement(transformation(extent={{68,-74},{48,-54}})));
Physiolibrary.Chemical.Components.Substance OxyRHm[4](
each Simulation=SimulationType.SteadyState,
each isDependent=true,
@@ -887,7 +887,7 @@ package Chemical "Domain with Molar Concentration and Molar Flow"
smooth=Smooth.None));
connect(quaternaryForm.products[1], T0_in_T.species)
annotation (Line(
- points={{16,-74},{48,-74}},
+ points={{16,-74},{32,-74},{32,-72},{48,-72}},
color={107,45,134},
thickness=1,
smooth=Smooth.None));
@@ -997,13 +997,13 @@ package Chemical "Domain with Molar Concentration and Molar Flow"
smooth=Smooth.None));
connect(T0_in_T.subunitSpecies, DeoxyTHm.q_out)
annotation (Line(
- points={{58,-56},{84,-56},{84,-26},{80,-26}},
+ points={{58,-54},{84,-54},{84,-26},{80,-26}},
color={107,45,134},
thickness=1,
smooth=Smooth.None));
connect(add1.y, T0_in_T.totalSubunitAmount)
annotation (Line(
- points={{44,-58.4},{44,-66},{50,-66}},
+ points={{44,-58.4},{44,-64},{50,-64}},
color={0,0,127},
smooth=Smooth.Bezier));
connect(R0_in_R.totalSubsystemAmount, totalHb.fragment[1]) annotation (Line(
@@ -1011,7 +1011,7 @@ package Chemical "Domain with Molar Concentration and Molar Flow"
color={0,0,127},
smooth=Smooth.Bezier));
connect(T0_in_T.totalSubsystemAmount, totalHb.fragment[2]) annotation (Line(
- points={{58,-74},{58,-74},{58,-85},{70,-85}},
+ points={{58,-72},{58,-72},{58,-85},{70,-85}},
color={0,0,127},
smooth=Smooth.Bezier));
connect(OxyRHm.solute, sum1.u[1:4]) annotation (Line(
@@ -1062,6 +1062,126 @@ package Chemical "Domain with Molar Concentration and Molar Flow"
end Allosteric_Hemoglobin2_MWC;
end Hemoglobin;
+
+ model AlbuminTitration "Figge-Fencl model (22. Dec. 2007)"
+ extends Modelica.Icons.Example;
+
+ parameter Integer n=218 "Number of weak acid group in albumin molecule";
+ parameter Real pKAs[n]=cat(1,{8.5},fill(4.0,98),fill(11.7,18),fill(12.5,24),fill(5.8,2),fill(6.0,2),{7.6,7.8,7.8,8,8},fill(10.3,50),{7.19,7.29,7.17,7.56,7.08,7.38,6.82,6.43,4.92,5.83,6.24,6.8,5.89,5.2,6.8,5.5,8,3.1})
+ "acid dissociation constants";
+
+ Physiolibrary.Chemical.Components.Substance A[n](
+ each Simulation=Physiolibrary.Types.SimulationType.SteadyState,
+ each solute_start=0.0005) "deprotonated acid groups"
+ annotation (Placement(transformation(extent={{4,-16},{24,4}})));
+ Physiolibrary.Chemical.Components.ChemicalReaction react[n](
+ each nP=2,
+ K=fill(10.0, n) .^ (-pKAs .+ 3))
+ annotation (Placement(transformation(extent={{-44,-2},{-24,18}})));
+ Physiolibrary.Chemical.Sources.UnlimitedSolutionStorage H(
+ q_out(conc(nominal=10^(-7.4 + 3))),
+ Conc=10^(-7.4 + 3),
+ Simulation=Physiolibrary.Types.SimulationType.SteadyState,
+ isIsolatedInSteadyState=false,
+ useConcentrationInput=true) "hydrogen ions activity" annotation (Placement(
+ transformation(
+ extent={{-10,-10},{10,10}},
+ rotation=180,
+ origin={14,22})));
+ Physiolibrary.Chemical.Components.Substance HA[n](
+ each Simulation=Physiolibrary.Types.SimulationType.SteadyState,
+ each isDependent=true,
+ each solute_start=0.0005) "protonated acid groups"
+ annotation (Placement(transformation(extent={{-76,-2},{-56,18}})));
+ Physiolibrary.SteadyStates.Components.MolarConservationLaw
+ molarConservationLaw[n](
+ each n=2,
+ each Simulation=Physiolibrary.Types.SimulationType.SteadyState,
+ each Total=0.001)
+ annotation (Placement(transformation(extent={{36,-28},{56,-8}})));
+ Modelica.Blocks.Math.Sum HAsum(nin=n) "total amount of protonated groups"
+ annotation (Placement(transformation(extent={{-54,-80},{-34,-60}})));
+ Physiolibrary.Blocks.Math.Exponentiation pow
+ annotation (Placement(transformation(extent={{26,82},{34,90}})));
+ Modelica.Blocks.Math.Gain gain(k=-1)
+ annotation (Placement(transformation(extent={{-44,74},{-24,94}})));
+ Physiolibrary.Blocks.Math.Add add(k=3)
+ annotation (Placement(transformation(extent={{-10,74},{10,94}})));
+ Modelica.Blocks.Sources.Clock pH(offset=5) "source of pH"
+ annotation (Placement(transformation(extent={{-84,74},{-64,94}})));
+ Modelica.Blocks.Math.Division division "protonated groups per molecule"
+ annotation (Placement(transformation(extent={{-20,-88},{0,-68}})));
+ Physiolibrary.Blocks.Math.Add charge(k=-118) "charge of albumin molecule"
+ annotation (Placement(transformation(extent={{10,-88},{30,-68}})));
+ equation
+ connect(react.products[1], A.q_out) annotation (Line(
+ points={{-24,7.5},{-12,7.5},{-12,-6},{14,-6}},
+ color={107,45,134},
+ thickness=1,
+ smooth=Smooth.None));
+ for i in 1:n loop
+ connect(react[i].products[2], H.q_out) annotation (Line(
+ points={{-24,8.5},{-14,8.5},{-14,22},{4,22}},
+ color={107,45,134},
+ thickness=1,
+ smooth=Smooth.None));
+ end for;
+ connect(HA.q_out, react.substrates[1]) annotation (Line(
+ points={{-66,8},{-44,8}},
+ color={107,45,134},
+ thickness=1,
+ smooth=Smooth.None));
+ connect(A.solute, molarConservationLaw.fragment[1]) annotation (Line(
+ points={{14,-16},{14,-22},{36,-22},{36,-23}},
+ color={0,0,127},
+ smooth=Smooth.None));
+ connect(HA.solute, molarConservationLaw.fragment[2]) annotation (Line(
+ points={{-66,-2},{-66,-24},{36,-24},{36,-21}},
+ color={0,0,127},
+ smooth=Smooth.None));
+ connect(HA.solute, HAsum.u) annotation (Line(
+ points={{-66,-2},{-66,-70},{-56,-70}},
+ color={0,0,127},
+ smooth=Smooth.None));
+ connect(pow.y, H.concentration) annotation (Line(
+ points={{34.4,86},{44,86},{44,22},{24,22}},
+ color={0,0,127},
+ smooth=Smooth.None));
+ connect(gain.y, add.u) annotation (Line(
+ points={{-23,84},{-12,84}},
+ color={0,0,127},
+ smooth=Smooth.None));
+ connect(add.y, pow.exponent) annotation (Line(
+ points={{11,84},{26,84},{26,83.6}},
+ color={0,0,127},
+ smooth=Smooth.None));
+ connect(pH.y, gain.u) annotation (Line(
+ points={{-63,84},{-46,84}},
+ color={0,0,127},
+ smooth=Smooth.None));
+ connect(HAsum.y, division.u1) annotation (Line(
+ points={{-33,-70},{-28,-70},{-28,-72},{-22,-72}},
+ color={0,0,127},
+ smooth=Smooth.None));
+ connect(molarConservationLaw[1].totalAmountOfSubstance, division.u2)
+ annotation (Line(
+ points={{56,-22},{78,-22},{78,-94},{-24,-94},{-24,-84},{-22,-84}},
+ color={0,0,127},
+ smooth=Smooth.None));
+ connect(division.y, charge.u) annotation (Line(
+ points={{1,-78},{8,-78}},
+ color={0,0,127},
+ smooth=Smooth.None));
+ annotation ( Diagram(coordinateSystem(
+ preserveAspectRatio=false, extent={{-100,-100},{100,100}},
+ experiment(StopTime=4)), graphics), Documentation(revisions="
+2014
+Marek Matejak, Charles University, Prague, Czech Republic
+", info="
+Data and model is described in
+Jame Figge: Role of non-volatile weak acids (albumin, phosphate and citrate). In: Stewart's Textbook of Acid-Base, 2nd Edition, John A. Kellum, Paul WG Elbers editors, AcidBase org, 2009, pp. 216-232.
+"));
+ end AlbuminTitration;
end Examples;
package Components
@@ -1647,6 +1767,7 @@ It works in two modes:
annotation (Placement(
transformation(extent={{-10,90},{10,110}})));
+ protected
parameter Real numberOfSubunit[NumberOfSubunitTypes] = ones(NumberOfSubunitTypes)
"Number of identical subunits instances in macromolecule. First should be non-zero.";