MATHLAB SOLUCIÓN NRTL PARA MEZCLA ACETONA, CLOROFORMO, BENCENO A 60 GRADOS

CELSIUS.
%modelo NRTL (Acetona, Cloroformo, Benceno)
clear all
xi=[0.3 0.5 0.2]
T= 60 %C
NC= 3 %número de componentes

Aij=[0 0.9646 -0.1015; 0.5382 0 -1.0488; 0.4224 0.6209 0]

Bij=[0 -590.026 306.066; -106.422 0 607.006; -239.901 -480.842 0]
Cij=[0 0.3 0.3; 0.3 0 0.3; 0.3 0.3 0]
Dij=[0 0 0; 0 0 0; 0 0 0]
Eij=[0 0 0; 0 0 0; 0 0 0]
Fij=[0 0 0; 0 0 0; 0 0 0]

for i= 1:NC
for j= 1:NC
aij(i,j) =Cij(i,j) +Dij(i,j)*T
Tij(i,j) =Aij(i,j) +Bij(i,j)/T+Eij(i,j)*log(T)+Fij(i,j)*T
Gij(i,j) =exp(-aij(i,j)*Tij(i,j))
end
end

i=1
for j =1:NC
for k =1:NC
xkGki(k)=xi(k)*Gij(k,i)
xkGkj(k)=xi(k)*Gij(k,j)
end
xjTjiGji(j)=xi(j)*Tij(j,i)*Gij(j,i)
sumxkGkj= sum(xkGkj)
end
sumxkGki= sum(xkGki)
sumxjTjiGji= sum(xjTjiGji)

CLASE 2 DE CÓDIGO NRTL

%modelo NRTL (Acetona, Cloroformo, Benceno)
clear all
xi=[0.3 0.5 0.2]
T= 60 %C
NC= 3 %número de componentes

Aij=[0 0.9646 -0.1015; 0.5382 0 -1.0488; 0.4224 0.6209 0]

Bij=[0 -590.026 306.066; -106.422 0 607.006; -239.901 -480.842 0]
Cij=[0 0.3 0.3; 0.3 0 0.3; 0.3 0.3 0]
Dij=[0 0 0; 0 0 0; 0 0 0]
Eij=[0 0 0; 0 0 0; 0 0 0]
Fij=[0 0 0; 0 0 0; 0 0 0]

for i= 1:NC
for j= 1:NC
aij(i,j) =Cij(i,j) +Dij(i,j)*T
Tij(i,j) =Aij(i,j) +Bij(i,j)/T+Eij(i,j)*log(T)+Fij(i,j)*T
Gij(i,j) =exp(-aij(i,j)*Tij(i,j))
end
end
for i=1:NC
for j =1:NC
for k =1:NC
xkGki(k)=xi(k)*Gij(k,i)
xkGkj(k)=xi(k)*Gij(k,j)
end
xjTjiGji(j)=xi(j)*Tij(j,i)*Gij(j,i)
sumxkGkj= sum(xkGkj)
for m=1:NC
xmTmjGmj(m)=xi(m)*Tij(m,j)*Gij(m,j)
end
sumxmTmjGmj=sum(xmTmjGmj)
doblesuma(j)=((xi(j)*Gij(i,j))/sumxkGkj)*(Tij(i,j)-sumxmTmjGmj/sumxkGkj)
end
sumdoblesuma = sum(doblesuma)
sumxkGki= sum(xkGki) %Las sumas deben ponerse fuera del reciclo para que
todos los términos necesarios hayan sido calculados
sumxjTjiGji= sum(xjTjiGji)
gi(i)= exp(sumxjTjiGji/sumxkGki+sumdoblesuma)
end

i=2 -> 0,0012

i=3 -> 1,0423

Ahora, cálculos de presión y temperatura de rocío y burbuja – Equilibrio:

A, B y C (properties of liquids and gases) Antoine:

Acetona A: 4,2184 B: 1197,010 C: 228,06

Cloroformo A: 3,96288 B: 1106,904 C: 218,552

%Temperatura de burbuja ELV (Equilibrio Líquido-Vapor) Acetona Cloroformo
clear all
Aij = [0 0.9646; 0.5382 0] %ctes modelo NRTL, se elimina la 3 fila y
columna (benceno-benceno) para realizar el equilibrio Acetona-Cloroformo
Bij=[0 -590.026; -106.422 0]
Cij=[0 0.3; 0.3 0]
Dij=[0 0; 0 0]
Eij=[0 0; 0 0]
Fij=[0 0; 0 0]

Ai=[4.2184 3.96288]%valores A Antoine

Bi=[1197.010 1106.904] %valores B Antoine
Ci=[228.06 218.552]

NC=2
P=1 %bar
yi=[ 0.1 0.9]
fi= ones(1,NC)

for i= 1:NC
Tsati(i)=Bi(i)/(Ai(i)- log10(P))-Ci(i) %Temperatura saturaciòn
componente i
end
for i= 1:NC
yiTsati(i)=yi(i)*Tsati(i)
end
T=sum(yiTsati)
for i= 1:NC %Càlculo de alpha y G del modelo NRTL
for j= 1:NC
aij(i,j) =Cij(i,j) +Dij(i,j)*T
Tij(i,j) =Aij(i,j) +Bij(i,j)/T+Eij(i,j)*log(T)+Fij(i,j)*T
Gij(i,j) =exp(-aij(i,j)*Tij(i,j))
end
end

for i=1:NC
Psati(i)=10^(Ai(i)-Bi(i)/(T+Ci(i))) %Presión saturación componente i
end