Equilibrio liquido liquido

clear all

% equilibrio liquido liquido isopropil/propanol/glicerol

NC=3

gij=[0 9862.2 51.9; 9248.1 0 2395.7; 1259.2 2457.2 0]% J/molK

aij=[0 0.3 0.3; 0.3 0 0.3; 0.3 0.3 0] % alfa
R=8.314 % J/molK

T=298.15 %K

Zi=[0.157 0.558 0.265]

Ki=[80 0.02 2] % supuesto

errorK=10

while errorK >0.0001

LF=0.5 % supuesto

errorLF=10
while errorLF > 0.0001

for i =1 :NC
Fi(i)=(Zi(i)*(Ki(i)-1))/((Ki(i)-1)*LF+1)
end

F=sum(Fi)

for i =1 :NC
dFi(i)=-(Zi(i)*(Ki(i)-1)^2)/((Ki(i)-1)*LF+1)^2
end

dF=sum(dFi)

LFc=LF-F/dF

errorLF= abs((LF-LFc)/LFc)
LF=LFc
end

for i= 1:NC
xia(i)=(Zi(i)*Ki(i))/((Ki(i)-1)*LF+1)
xib(i)=(Zi(i))/((Ki(i)-1)*LF+1)
end

for i=1:NC
Xia(i)=xia(i)/sum(xia)
Xib(i)=xib(i)/sum(xib)
end

%Parametros de interaccion

for i =1 :NC
for j=1:NC
Tij(i,j)= gij(i,j)/(R*T)
Gij(i,j)= exp(-aij(i,j)*Tij(i,j))
end

end

for i =1: NC

for j =1: NC
TjiGjiXj(j)=Tij(j,i)*Gij(j,i)*Xia(j)

for k=1: NC
GkjXk(k)=Gij(k,j)*Xia(k)
TkjGkjXk(k)=Tij(k,j)*Gij(k,j)*Xia(k)
GkiXk(k)=Gij(k,i)*Xia(k)
end
sumatoria(j)=(Xia(j)*Gij(i,j)/sum(GkjXk))*(Tij(i,j)-(sum(TkjGkjXk)/sum(GkjXk)))
gia(i)=exp((sum(TjiGjiXj)/sum(GkiXk)+sum(sumatoria)))
end
end

for i =1: NC

for j =1: NC
TjiGjiXj(j)=Tij(j,i)*Gij(j,i)*Xib(j)
 for k=1: NC
GkjXk(k)=Gij(k,j)*Xib(k)
TkjGkjXk(k)=Tij(k,j)*Gij(k,j)*Xib(k)
GkiXk(k)=Gij(k,i)*Xib(k)
end
sumatoria(j)=(Xib(j)*Gij(i,j)/sum(GkjXk))*(Tij(i,j)-(sum(TkjGkjXk)/sum(GkjXk)))
gib(i)=exp((sum(TjiGjiXj)/sum(GkiXk)+sum(sumatoria)))
end
end

for i=1:NC
Kic(i)=gib(i)/gia(i)
end

for i=1:NC
errorKi(i)= abs((Ki(i)-Kic(i))/Kic(i))
end

errorK=sum(errorKi)

Ki=Kic
end

xx=[0 0.5]
yy=[0 (3/4)^0.5]
plot(xx,yy)
hold on

xx=[0.5 1]
yy=[(3/4)^0.5 0]
plot(xx,yy)
hold on

xxa=Xia(1)+0.5*Xia(3)
yya=Xia(3)*(3/4)^0.5

xxb=Xib(1)+0.5*Xib(3)
yyb=Xib(3)*(3/4)^0.5

xx=[xxa xxb]
yy=[yya yyb]
plot(xx,yy)
hold on