Update to new frontend

Simulator/BinaryPhaseEnvelope/NRTL.mo

@@ -4,52 +4,58 @@ package NRTL
   extends Modelica.Icons.ExamplesPackage;
   model NRTLmodel
     import Simulator.Files.ThermodynamicFunctions.*;
-    gammaNRTLmodel Gamma(NOC = NOC, comp = comp, molFrac = x[:], T = T);
-    Real density[NOC], BIPS[NOC, NOC, 2];
+    parameter Integer Nc "Number of components";
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] "Component instances array";
+    gammaNRTLmodel Gamma(Nc = Nc, C = C, molFrac = x[:], T = T);
+    Real gamma[Nc];
+    Real x[Nc];
+    Real T(start = 300);
+    Real P;
+    Real K[Nc];
+    Real density[Nc], BIPS[Nc, Nc, 2];
   equation
     gamma = Gamma.gamma;
     BIPS = Gamma.BIPS;
-    for i in 1:NOC loop
-      density[i] = Dens(comp[i].LiqDen, comp[i].Tc, T, P);
+    for i in 1:Nc loop
+      density[i] = Dens(C[i].LiqDen, C[i].Tc, T, P);
     end for;
-    for i in 1:NOC loop
-      K[i] = gamma[i] * Psat(comp[i].VP, T) / P;
+    for i in 1:Nc loop
+      K[i] = gamma[i] * Psat(C[i].VP, T) / P;
     end for;
   end NRTLmodel;
 
   model gammaNRTLmodel
-    parameter Integer NOC;
-    parameter Simulator.Files.ChemsepDatabase.GeneralProperties comp[NOC];
-    Real molFrac[NOC], T;
-    Real gamma[NOC];
-    Real tau[NOC, NOC], G[NOC, NOC], alpha[NOC, NOC], A[NOC, NOC], BIPS[NOC, NOC, 2];
-    Real sum1[NOC], sum2[NOC];
+    parameter Integer Nc "Number of components";
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] "Component instances array";
+    Real molFrac[Nc], T(start = 300);
+    Real gamma[Nc];
+    Real tau[Nc, Nc], G[Nc, Nc], alpha[Nc, Nc], A[Nc, Nc], BIPS[Nc, Nc, 2];
+    Real sum1[Nc], sum2[Nc];
     constant Real R = 1.98721;
   equation
     A = BIPS[:, :, 1];
     alpha = BIPS[:, :, 2];
     tau = A ./ (R * T);
-    for i in 1:NOC loop
-      for j in 1:NOC loop
+    for i in 1:Nc loop
+      for j in 1:Nc loop
         G[i, j] = exp(-alpha[i, j] * tau[i, j]);
       end for;
     end for;
-    for i in 1:NOC loop
+    for i in 1:Nc loop
       sum1[i] = sum(molFrac[:] .* G[:, i]);
       sum2[i] = sum(molFrac[:] .* tau[:, i] .* G[:, i]);
     end for;
-    for i in 1:NOC loop
+    for i in 1:Nc loop
       log(gamma[i]) = sum(molFrac[:] .* tau[:, i] .* G[:, i]) / sum(molFrac[:] .* G[:, i]) + sum(molFrac[:] .* G[i, :] ./ sum1[:] .* (tau[i, :] .- sum2[:] ./ sum1[:]));
     end for;
   end gammaNRTLmodel;
 
   model base
-    import data = Simulator.Files.ChemsepDatabase;
-    parameter Integer NOC;
-    parameter Real BIP[NOC, NOC, 2];
-    parameter data.GeneralProperties comp[NOC];
+    parameter Integer Nc;
+    parameter Real BIP[Nc, Nc, 2];
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc] "Component instances array";
     extends NRTLmodel(BIPS = BIP);
-    Real P, T(start = 300), gamma[NOC], K[NOC], x[NOC](each start = 0.5), y[NOC];
+    Real P, T(start = 300), gamma[Nc], K[Nc], x[Nc](each start = 0.5), y[Nc];
   equation
     y[:] = K[:] .* x[:];
     sum(x[:]) = 1;
@@ -61,11 +67,11 @@ package NRTL
     import data = Simulator.Files.ChemsepDatabase;
     parameter data.Onehexene ohex;
     parameter data.Acetone acet;
-    parameter Integer NOC = 2;
-    parameter Real BIP[NOC, NOC, 2] = Simulator.Files.ThermodynamicFunctions.BIPNRTL(NOC, comp.CAS);
-    parameter data.GeneralProperties comp[NOC] = {ohex, acet};
-    base points[41](each P = 1013250, each NOC = NOC, each comp = comp, each BIP = BIP);
-    Real x[41, NOC], y[41, NOC], T[41];
+    parameter Integer Nc = 2;
+    parameter Real BIP[Nc, Nc, 2] = Simulator.Files.ThermodynamicFunctions.BIPNRTL(Nc, C.CAS);
+    parameter data.GeneralProperties C[Nc] = {ohex, acet};
+    base points[41](each P = 1013250, each Nc = Nc, each C = C, each BIP = BIP);
+    Real x[41, Nc], y[41, Nc], T[41];
   equation
     points[:].x = x;
     points[:].y = y;
@@ -80,11 +86,11 @@ package NRTL
     import data = Simulator.Files.ChemsepDatabase;
     parameter data.Onehexene ohex;
     parameter data.Acetone acet;
-    parameter Integer NOC = 2;
-    parameter Real BIP[NOC, NOC, 2] = Simulator.Files.ThermodynamicFunctions.BIPNRTL(NOC, comp.CAS);
-    parameter data.GeneralProperties comp[NOC] = {ohex, acet};
-    base points[41](each T = 424, each NOC = NOC, each comp = comp, each BIP = BIP);
-    Real x[41, NOC], y[41, NOC], P[41];
+    parameter Integer Nc = 2;
+    parameter Real BIP[Nc, Nc, 2] = Simulator.Files.ThermodynamicFunctions.BIPNRTL(Nc, C.CAS);
+    parameter data.GeneralProperties C[Nc] = {ohex, acet};
+    base points[41](each T = 424, each Nc = Nc, each C = C, each BIP = BIP);
+    Real x[41, Nc], y[41, Nc], P[41];
   equation
     points[:].x = x;
     points[:].y = y;
@@ -93,4 +99,4 @@ package NRTL
       x[i, 1] = 0 + (i - 1) * 0.025;
     end for;
   end Pxy;
-end NRTL;
+end NRTL;

Simulator/BinaryPhaseEnvelope/PR.mo

@@ -4,12 +4,12 @@ package PR
   extends Modelica.Icons.ExamplesPackage;
   function CompresseblityFactor
     extends Modelica.Icons.Function;
-    input Real b[NOC];
-    input Real aij[NOC, NOC];
+    input Real b[Nc];
+    input Real aij[Nc, Nc];
     input Real P;
     input Real T;
-    input Integer NOC;
-    input Real m[NOC];
+    input Integer Nc;
+    input Real m[Nc];
     output Real am;
     output Real bm;
     output Real A;
@@ -20,94 +20,96 @@ package PR
     Real C[4];
     Real ZR[3, 2];
   algorithm
-    am := sum({{m[i] * m[j] * aij[i, j] for i in 1:NOC} for j in 1:NOC});
+    am := sum({{m[i] * m[j] * aij[i, j] for i in 1:Nc} for j in 1:Nc});
     bm := sum(b .* m);
     A := am * P / (R * T) ^ 2;
     B := bm * P / (R * T);
     C[1] := 1;
     C[2] := B - 1;
     C[3] := A - 3 * B ^ 2 - 2 * B;
     C[4] := B ^ 3 + B ^ 2 - A * B;
-    ZR := Modelica.Math.Vectors.Utilities.roots(C);
+    ZR := Modelica.Math.Polynomials.roots(C);
     Z := {ZR[i, 1] for i in 1:3};
   end CompresseblityFactor;
 
   model PR
-    parameter Simulator.Files.ChemsepDatabase.GeneralProperties comp[NOC];
-    parameter Integer NOC;
+    parameter Simulator.Files.ChemsepDatabase.GeneralProperties C[Nc];
+    parameter Integer Nc;
     parameter Real R = 8.314;
-    parameter Real kij[NOC, NOC] = Simulator.Files.ThermodynamicFunctions.BIPPR(NOC, comp.name);
-    Real Tr[NOC];
-    Real b[NOC];
-    Real m[NOC];
-    Real q[NOC];
-    Real a[NOC];
-    Real aij[NOC, NOC];
+    parameter Real kij[Nc, Nc] = Simulator.Files.ThermodynamicFunctions.BIPPR(Nc, C.name);
+    Real x[Nc];
+    Real y[Nc];
+    Real Tr[Nc];
+    Real b[Nc];
+    Real m[Nc];
+    Real q[Nc];
+    Real a[Nc];
+    Real aij[Nc, Nc];
     Real amL, bmL;
     Real AL, BL, Z_L[3];
     Real ZL;
-    Real sum_xa[NOC];
-    Real liqfugcoeff[NOC];
+    Real sum_xa[Nc];
+    Real liqfugcoeff[Nc];
     Real amV, bmV;
     Real AV, BV, Z_V[3];
     Real ZV;
-    Real sum_ya[NOC];
-    Real vapfugcoeff[NOC];
+    Real sum_ya[Nc];
+    Real vapfugcoeff[Nc];
     Real P;
     Real T(start = 273);
-    Real Psat[NOC];
+    Real Psat[Nc];
     //Bubble and Dew Point Calculation
-    Real Tr_bubl[NOC];
-    Real a_bubl[NOC];
-    Real aij_bubl[NOC, NOC];
-    Real Psat_bubl[NOC];
+    Real Tr_bubl[Nc];
+    Real a_bubl[Nc];
+    Real aij_bubl[Nc, Nc];
+    Real Psat_bubl[Nc];
     Real amL_bubl, bmL_bubl;
-    Real AL_bubl, BL_bubl, Z_L_bubl[3];
-    Real ZL_bubl;
-    Real sum_xa_bubl[NOC];
-    Real liqfugcoeff_bubl[NOC];
-    Real gammaBubl[NOC];
+    Real AL_bubl, BL_bubl(start = 0.005), Z_L_bubl[3];
+    Real ZL_bubl (each start = 0.005);
+    Real sum_xa_bubl[Nc];
+    Real liqfugcoeff_bubl[Nc];
+    Real gammaBubl[Nc];
     Real Tbubl(start = 273);
   equation
-    for i in 1:NOC loop
-      Psat_bubl[i] = Simulator.Files.ThermodynamicFunctions.Psat(comp[i].VP, Tbubl);
-      Psat[i] = Simulator.Files.ThermodynamicFunctions.Psat(comp[i].VP, T);
+    for i in 1:Nc loop
+      Psat_bubl[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, Tbubl);
+      Psat[i] = Simulator.Files.ThermodynamicFunctions.Psat(C[i].VP, T);
     end for;
-//Bubble Point and Dew Point Calculation Routine
-    Tr_bubl = Tbubl ./ comp.Tc;
+  //Bubble Point and Dew Point Calculation Routine
+    Tr_bubl = Tbubl ./ C.Tc;
     a_bubl = q .* (1 .+ m .* (1 .- sqrt(Tr_bubl))) .^ 2;
-    aij_bubl = {{(1 - kij[i, j]) * sqrt(a_bubl[i] * a_bubl[j]) for i in 1:NOC} for j in 1:NOC};
-    (amL_bubl, bmL_bubl, AL_bubl, BL_bubl, Z_L_bubl) = CompresseblityFactor(b, aij_bubl, P, Tbubl, NOC, x[:]);
+    aij_bubl = {{(1 - kij[i, j]) * sqrt(a_bubl[i] * a_bubl[j]) for i in 1:Nc} for j in 1:Nc};
+    (amL_bubl, bmL_bubl, AL_bubl, BL_bubl, Z_L_bubl) = CompresseblityFactor(b, aij_bubl, P, Tbubl, Nc, x[:]);
     ZL_bubl = min({Z_L_bubl});
-    sum_xa_bubl = {sum({x[j] * aij_bubl[i, j] for j in 1:NOC}) for i in 1:NOC};
+    sum_xa_bubl = {sum({x[j] * aij_bubl[i, j] for j in 1:Nc}) for i in 1:Nc};
     liqfugcoeff_bubl = exp(AL_bubl / (BL_bubl * sqrt(8)) * log((ZL_bubl + 2.4142135 * BL_bubl) / (ZL_bubl - 0.414213 * BL_bubl)) .* (b / bmL_bubl .- 2 * sum_xa_bubl / amL_bubl) .+ (ZL_bubl - 1) * (b / bmL_bubl) .- log(ZL_bubl - BL_bubl));
     liqfugcoeff_bubl[:] = gammaBubl[:] .* P ./ Psat_bubl[:];
-    P = sum(gammaBubl[:] .* x[:] .* exp(comp[:].VP[2] + comp[:].VP[3] / Tbubl + comp[:].VP[4] * log(Tbubl) + comp[:].VP[5] .* Tbubl .^ comp[:].VP[6]) ./ liqfugcoeff_bubl[:]);
-//Calculation of Temperatures at different compositions
-    Tr = T ./ comp.Tc;
-    b = 0.0778 * R * comp.Tc ./ comp.Pc;
-    m = 0.37464 .+ 1.54226 * comp.AF .- 0.26992 * comp.AF .^ 2;
-    q = 0.45724 * R ^ 2 * comp.Tc .^ 2 ./ comp.Pc;
+    P = sum(gammaBubl[:] .* x[:] .* exp(C[:].VP[2] + C[:].VP[3] / Tbubl + C[:].VP[4] * log(Tbubl) + C[:].VP[5] .* Tbubl .^ C[:].VP[6]) ./ liqfugcoeff_bubl[:]);
+  //Calculation of Temperatures at different compositions
+    Tr = T ./ C.Tc;
+    b = 0.0778 * R * C.Tc ./ C.Pc;
+    m = 0.37464 .+ 1.54226 * C.AF .- 0.26992 * C.AF .^ 2;
+    q = 0.45724 * R ^ 2 *C.Tc.^(2)./ C.Pc;
     a = q .* (1 .+ m .* (1 .- sqrt(Tr))) .^ 2;
-    aij = {{(1 - kij[i, j]) * sqrt(a[i] * a[j]) for i in 1:NOC} for j in 1:NOC};
-//Liquid Phase Calculation Routine
-    (amL, bmL, AL, BL, Z_L) = CompresseblityFactor(b, aij, P, T, NOC, x[:]);
+    aij = {{(1 - kij[i, j]) * sqrt(a[i] * a[j]) for i in 1:Nc} for j in 1:Nc};
+  //Liquid Phase Calculation Routine
+    (amL, bmL, AL, BL, Z_L) = CompresseblityFactor(b, aij, P, T, Nc, x[:]);
     ZL = min({Z_L});
-    sum_xa = {sum({x[j] * aij[i, j] for j in 1:NOC}) for i in 1:NOC};
+    sum_xa = {sum({x[j] * aij[i, j] for j in 1:Nc}) for i in 1:Nc};
     liqfugcoeff = exp(AL / (BL * sqrt(8)) * log((ZL + 2.4142135 * BL) / (ZL - 0.414213 * BL)) .* (b / bmL .- 2 * sum_xa / amL) .+ (ZL - 1) * (b / bmL) .- log(ZL - BL));
-//Vapour Phase Calculation Routine
-    (amV, bmV, AV, BV, Z_V) = CompresseblityFactor(b, aij, P, T, NOC, y[:]);
+  //Vapour Phase Calculation Routine
+    (amV, bmV, AV, BV, Z_V) = CompresseblityFactor(b, aij, P, T, Nc, y[:]);
     ZV = max({Z_V});
-    sum_ya = {sum({y[j] * aij[i, j] for j in 1:NOC}) for i in 1:NOC};
+    sum_ya = {sum({y[j] * aij[i, j] for j in 1:Nc}) for i in 1:Nc};
     vapfugcoeff = exp(AV / (BV * sqrt(8)) * log((ZV + 2.4142135 * BV) / (ZV - 0.414213 * BV)) .* (b / bmV .- 2 * sum_ya / amV) .+ (ZV - 1) * (b / bmV) .- log(ZV - BV));
   end PR;
 
   model PhaseEquilibria
     import data = Simulator.Files.ChemsepDatabase;
     parameter data.Ethane eth;
     parameter data.Propane prop;
-    extends PR(NOC = 2, comp = {eth, prop});
-    Real P, T(start = 273), K[NOC], x[NOC](each start = 0.5), y[NOC], Tbubl(start = 273);
+    extends PR(Nc = 2, C = {eth, prop});
+    Real P, T(start = 273), K[Nc], x[Nc](each start = 0.5), y[Nc], Tbubl(start = 273);
   equation
     K[:] = liqfugcoeff[:] ./ vapfugcoeff[:];
     y[:] = K[:] .* x[:];
@@ -120,13 +122,13 @@ package PR
     import data = Simulator.Files.ChemsepDatabase;
     parameter data.Ethane eth;
     parameter data.Propane prop;
-    parameter Integer NOC = 2;
-    parameter Integer N = 2;
-    parameter data.GeneralProperties comp[NOC] = {eth, prop};
-    PhaseEquilibria points[N](each T = 210, each NOC = NOC, each comp = comp, each T(start = 273), each Tbubl(start = 273), each x(each start = 0.5), each y(each start = 0.5));
+    parameter Integer Nc = 2;
+    parameter Integer N = 10;
+    parameter data.GeneralProperties C[Nc] = {eth, prop};
+    PhaseEquilibria points[N](each T = 210, each Nc = Nc, each C = C, each T(start = 273), each Tbubl(start = 273), each x(each start = 0.5), each y(each start = 0.5));
     Real x1[N], y1[N], x2[N], y2[N], P[N](each start = 101325), Tbubl[N], Temp[N];
   equation
-//Generation of Points to compute Bubble Temperature
+  //Generation of Points to Compute Bubble Temperature
     points[:].x[1] = x1[:];
     points[:].y[1] = y1[:];
     points[:].x[2] = x2[:];
@@ -148,11 +150,11 @@ package PR
     import data = Simulator.Files.ChemsepDatabase;
     parameter data.Ethane eth;
     parameter data.Propane prop;
-    parameter Integer NOC = 2;
-    parameter Integer N = 10;
-    parameter data.GeneralProperties comp[NOC] = {eth, prop};
-    PhaseEquilibria points[N](each P = 101325, each NOC = NOC, each comp = comp, each T(start = 273), each Tbubl(start = 273), each x(each start = 0.5), each y(each start = 0.5));
-    Real x[N, NOC], y[N, NOC], T[N], Tbubl[N], T_PR[N];
+    parameter Integer Nc = 2;
+    parameter Integer N = 21;
+    parameter data.GeneralProperties C[Nc] = {eth, prop};
+    PhaseEquilibria points[N](each P = 101325, each Nc = Nc, each C = C, each T(start = 273), each Tbubl(start = 273), each x(each start = 0.5), each y(each start = 0.5));
+    Real x[N, Nc], y[N, Nc], T[N], Tbubl[N], T_PR[N];
   equation
     points[:].x = x;
     points[:].y = y;
@@ -164,7 +166,7 @@ package PR
       T_PR[i] = T[i];
     end for;
     for i in 1:N loop
-      x[i, 1] = 0 + (i - 1) * 0.025;
+      x[i, 1] = 0.5 + (i - 1) * 0.025;
     end for;
   end Txy;
-end PR;
+end PR;

Simulator/BinaryPhaseEnvelope/UNIFAC.mo

@@ -7,7 +7,7 @@ package UNIFAC
     //Libraries
     import Simulator.*;
     //Extension of Chemsep Database
-    Simulator.Files.ChemsepDatabase data;
+    import data = Simulator.Files.ChemsepDatabase;
     //Parameter Section
     //Selection of compounds
     parameter data.Methylethylketone meth;
@@ -135,7 +135,7 @@ package UNIFAC
     //Libraries
     import Simulator.*;
     //Extension of Chemsep Database
-    Simulator.Files.ChemsepDatabase data;
+    import data = Simulator.Files.ChemsepDatabase;
     //Parameter Section
     //Selection of compounds
     parameter data.Methylethylketone meth;
@@ -177,7 +177,7 @@ package UNIFAC
     //Mole Fractions (x-axis) of the T-x-y plot
     Real z1[N + 1], z2[N + 1];
     //Bubble Temperature
-    Real T[N + 1](unit = "K", each start = 300);
+    Real T[N + 1](each unit = "K", each start = 300);
     //Distribution coefficient
     Real K1[N + 1];
     //Vapour Phase Mole Fraction
@@ -264,4 +264,4 @@ package UNIFAC
   end Txy;
 
   //================================================================================================================
-end UNIFAC;
+end UNIFAC;