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 se leyeron
aij=[0 0.3 0.3; 0.3 0 0.3; 0.3 0.3 0] % alfa estas se leyeron del archivo
R=8.314 % J/molK
T=298.15 %K
Zi=[0.157 0.558 0.265] valores que estén en tabla, donde beta no sea cero
Ki=[80 0.02 2] % supuesto para corregir
errorK=10
while errorK >0.0001
LF=0.5 % supuesto para corregir
errorLF=10
while errorLF > 0.0001
% plantear ecuación de equilibrio igualada a f(i) sin derivar
for i =1 :NC
Fi(i)=(Zi(i)*(Ki(i)-1))/((Ki(i)-1)*LF+1)
end
F=sum(Fi)
% plantear ecuación de equilibrio igualada a f(i) DERIVADA
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 se calcula LF paras luego corregir
errorLF= abs((LF-LFc)/LFc)
LF=LFc
end
se tiene un LF corregfido para un k malo---corregir k
for i= 1:NC
xia(i)=(Zi(i)*Ki(i))/((Ki(i)-1)*LF+1) se pone minúscula para normalizar luego
xib(i)=(Zi(i))/((Ki(i)-1)*LF+1) hay una x para cada compuesto Alpha/beta
end
for i=1:NC
Xia(i)=xia(i)/sum(xia) normalización
Xib(i)=xib(i)/sum(xib)
end
%Parametros de interaccion se calcula normal con NRTL
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
se calcula la k para compararla
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
0