clc;

clear all;
%Clculos de fracciones molares de los componentes, 1:CO2 y
pentanol

2:iso-

x1=[0.128 0.143 0.174 0.212 0.233 0.234 0.247 0.288 0.318 0.369 0.398
0.427 0.454 0.496 0.523 0.561 0.584 0.648 0.716 0.732 0.784 0.843 0.924];
for i=1:23
x2(i)=1-x1(i);
end
y1=[0.995 0.990 0.993 0.992 0.994 0.996 0.996 0.995 0.995 0.995 0.994
0.994 0.992 0.990 0.988 0.986 0.985 0.984 0.984 0.982 0.980 0.973 0.953];
for i=1:23
y2(i)=1-y1(i);
end;
%Presiones (Pa) para cada composicin
P=(1e6)*[1.2 1.35 1.63 2.15 2.35 2.36 2.47 2.97 3.29 3.79 4.16 4.52 4.73
5.16 5.33 5.65 5.79 6.07 6.32 6.36 6.48 6.58 6.81];
T=303.2;

%Temperatura (K) cte del sistema

%Propieddes crticas correspondientes a cada componente

Tc1=304.19;
Pc1=7.382e6;
Vc1=9.40e-5;
Zc1=0.274;
w1=0.228;
Tc2=579.45;
Pc2=3.88e6;
Vc2=3.27e-4;
Zc2=0.260;
w2=0.556;
%Constante universal de los gases en el SI
R=8.314;
%Clculo de los parmetros para la EdE Peng-Robinson
j1=(0.45724*(R^2)*(Tc1^2))/Pc1;
j2=(0.45724*(R^2)*(Tc2^2))/Pc2;
b1=0.0778*R*Tc1/Pc1;
b2=0.0778*R*Tc2/Pc2;
fw1=0.37464+1.54226*w1-0.26992*(w1^2);
fw2=0.37464+1.54226*w2-0.26992*(w2^2);

Tr1=T/Tc1;
Tr2=T/Tc2;
a1=j1*((1+fw1*(1-Tr1.^(1/2))).^2);
a2=j2*((1+fw2*(1-Tr2.^(1/2))).^2);
%Clculo de los valores Ai
for i=1:23
A1(i)=(a1*P(i))/((R*T).^2);
A2(i)=(a2*P(i))/((R*T).^2);
B1(i)=(b1*P(i))/(R*T);
B2(i)=(b2*P(i))/(R*T);
end
%Utilizando la forma simplificada para Z, de la ecuacin PR y definiendo
%los coeficientes de las potencias de Z como L0, L1, L2 y L3
%respectivamente, se halla Z para cada componente puro
for i=1:23
L3=1;
L2=B1(i)-1;
L1=A1(i)-3*(B1(i).^2)-2*B1(i);
L0=(B1(i).^3)+(B1(i).^2)-(A1(i))*(B1(i));
Zd1=roots([L3 L2 L1 L0])';
Z1(i)=Zd1(1);
end
for i=1:23
L3=1;
L2=B2(i)-1;
L1=A2(i)-3*(B2(i).^2)-2*B2(i);
L0=B2(i).^3+B2(i).^2-(A2(i)*B2(i));
Zd2=roots([L3 L2 L1 L0])';
Z2(i)=Zd2(3);
end
%Parmetro de interaccin binaria (a-ecuacin virial)
k12a=1-((8*(Vc1*Vc2).^(1/2)))/(((Vc1.^(1/3))+(Vc2.^(1/3))).^3);
k12=0.08812;
%Clculo de los coeficientes de la EdE PR, para mezclas.

for i=1:23
A12(i)=(1-k12)*((A1(i)*A2(i)).^0.5);
Bm(i)=x1(i)*B1(i)+x2(i)*B2(i);

Am(i)=((x1(i)).^2)*A1(i)+2*(x1(i))*(x2(i))*(A12(i))+((x2(i)).^2)*A2(i);
end
%Clculo de Z para la fase lquida
for i=1:23
L3=1;
L2=Bm(i)-1;
L1=Am(i)-3*(Bm(i).^2)-2*Bm(i);
L0=(Bm(i).^3)+(Bm(i).^2)-(Am(i))*(Bm(i));
Zdm=roots([L3 L2 L1 L0])';
Zm(i)=Zdm(3);

end

%Clculo de los coeficientes de fugacidad en mezcla, fugacidades y sus

%respectivos logaritmos; para cada componente.
for i=1:23
lcf1m(i)=(Am(i)/(2*(sqrt(2))*Bm(i)))*(B1(i)/Bm(i)(2/Am(i))*(x1(i)*A1(i)+x2(i)*A12(i)))*log((Zm(i)+(1+sqrt(2))*Bm(i))/(Zm(i
)+(1-sqrt(2))*Bm(i)))+(B1(i)/Bm(i))*(Zm(i)-1)-log(Zm(i)-Bm(i));
lcf2m(i)=(Am(i)/(2*(sqrt(2))*Bm(i)))*(B2(i)/Bm(i)(2/Am(i))*(x1(i)*A12(i)+x2(i)*A2(i)))*log((Zm(i)+(1+sqrt(2))*Bm(i))/(Zm(i
)+(1-sqrt(2))*Bm(i)))+(B2(i)/Bm(i))*(Zm(i)-1)-log(Zm(i)-Bm(i));
end
for i=1:23
cf1m(i)=exp(lcf1m(i));
cf2m(i)=exp(lcf2m(i));
f1m(i)=P(i)*x1(i)*cf1m(i);
f2m(i)=P(i)*x2(i)*cf2m(i);
end

%Clculo de los coeficientes de fugacidad y fugacidades para cada

%componente puro, y sus respectivos logaritmos

for i=1:23
lcf1(i)=Z1(i)-1-log(Z1(i)-B1(i))(A1(i)/(2*(sqrt(2))*B1(i)))*log((Z1(i)+(1+(sqrt(2)))*B1(i))/(Z1(i)+(1(sqrt(2)))*B1(i)));
lcf2(i)=Z2(i)-1-log(Z2(i)-B2(i))(A2(i)/(2*(sqrt(2))*B2(i)))*log((Z2(i)+(1+(sqrt(2)))*B2(i))/(Z2(i)+(1(sqrt(2)))*B2(i)));
cf1(i)=exp(lcf1(i));
cf2(i)=exp(lcf2(i));
f1(i)=P(i)*cf1(i);
f2(i)=P(i)*cf2(i);
end
%Cclculo de los coeficientes de actidad, cocientes de los mismos y sus
%respectivos logaritmos
for i=1:23
g1(i)=f1m(i)/(f1(i)*x1(i));
g2(i)=f2m(i)/(f2(i)*x2(i));
lg1(i)=log(g1(i));
lg2(i)=log(g2(i));
end
for i=1:23
g12(i)=g1(i)/g2(i);
lg12(i)=log(g12(i));
end
%Clculo del logaritmo de las presiones parciales en la fase lquida
for i=1:23

lP1(i)=log(P(i)*x1(i));
lP2(i)=log(P(i)*x2(i));
end
%Clculo de la Funcin de Gibbs en exceso adimensional y la misma sobre
%x1*x2
for i=1:23
GERT(i)=x1(i)*lg1(i)+x2(i)*lg2(i);
GERTx1x2(i)=(lg1(i)/x2(i))+(lg2(i)/x1(i));

end
P=[29.84*6 -105*5 152.6*4 -120.5*3 57.63*2 -18.21 0];
%Clculo para el criterio de coherencia de los coeficientes de actividad
for i=1:23
coh(i)=x1(i)*polyval(P,x1(i))+x2(i)*(0.003*6.698*exp(6.698*x1(i)));
end
coh