Coeficiente de Actividad UNIFAC
Enviado por Estrella Vargas • 3 de Noviembre de 2022 • Tareas • 1.983 Palabras (8 Páginas) • 42 Visitas
Coeficiente de Actividad UNIFAC:
clear all
% Coeficiente de Actividad UNIFAC
k=[1 2 15 10 17]
KN=5
Rk=[0.9011 0.6744 1.0000 0.5313 0.9200]
Qk=[0.848 0.540 1.200 0.400 1.400]
Vk=[0 0 1;0 0 3;0 0 1;6 0 0;0 1 0]
NC=3 %Numero de compuestos
T=308.15 %K
Xi=[0.3 0.4 0.3]
%Parametros de interaccion
Amk=[0 0 986.5 61.13 1318.00;0 0 986.5 61.13 1318.00;156.40 156.40 0 89.60 353.50;-11.12 -11.12 636.1 0 903.80;300.00 300.00 -229.10 362.30 0]
for i=1:NC
for K=1:KN
VkRk(K)=Vk(K,i)*Rk(K)
VkQk(K)=Vk(K,i)*Qk(K)
end
qi(i)=sum(VkQk)
ri(i)=sum(VkRk)
end
for i=1:NC
for K=1:KN
eki(K,i)=Vk(K,i)*Qk(K)/qi(i)
end
Tmk=exp(-Amk/T) %TAO
end
for i=1:NC
for K=1:KN
for m=1:KN
emiTmk(m)=eki(m,i)*Tmk(m,K)
end
Bik(i,K)=sum(emiTmk) %Betha
end
end
for K=1:KN
for i=1:NC
Xiqieki(i)=Xi(i)*qi(i)*eki(K,i)
for j=1:NC
Xiqi(j)=Xi(j)*qi(j)
end
end
O(K)=sum(Xiqieki)/sum(Xiqi) %Theta
end
for K=1:KN
for m=1:KN
OmTmk(m)=O(m)*Tmk(m,K)
end
Sk(K)=sum(OmTmk)
end
for i=1:NC
for j=1:NC
rjXj(j)=ri(j)*Xi(j)
qjXj(j)=qi(j)*Xi(j)
end
J(i)=ri(i)/sum(rjXj)
L(i)=qi(i)/sum(qjXj)
gc(i)=1-J(i)+log(J(i))-5*qi(i)*(1-(J(i)/L(i))+log(J(i)/L(i)))
for K=1:KN
sumatoria(K)=O(K)*(Bik(i,K)/Sk(K))-eki(K,i)*log(Bik(i,K)/Sk(K))
end
gr(i)=qi(i)*(1-sum(sumatoria))
g(i)=gc(i)+gr(i)
gfinal(i)=exp(g(i))
end
Gráfico Coeficiente Benceno vs. Agua
clear all
% Coeficiente de Actividad UNIFAC
k=[10 17]
KN=2
Rk=[0.5313 0.9200]
Qk=[0.400 1.400]
Vk=[6 0 ;0 1]
NC=2 %Numero de compuestos
T=308.15 %K
%Parametros de interaccion
Amk=[0 903.80;362.30 0]
n=0
while n<1
X10=n
Xi=[X10 1-X10]
for i=1:NC
for K=1:KN
VkRk(K)=Vk(K,i)*Rk(K)
VkQk(K)=Vk(K,i)*Qk(K)
end
qi(i)=sum(VkQk)
ri(i)=sum(VkRk)
end
for i=1:NC
for K=1:KN
eki(K,i)=Vk(K,i)*Qk(K)/qi(i)
end
Tmk=exp(-Amk/T) %TAO
end
for i=1:NC
for K=1:KN
for m=1:KN
emiTmk(m)=eki(m,i)*Tmk(m,K)
end
Bik(i,K)=sum(emiTmk) %Betha
end
end
for K=1:KN
for i=1:NC
Xiqieki(i)=Xi(i)*qi(i)*eki(K,i)
for j=1:NC
Xiqi(j)=Xi(j)*qi(j)
end
end
O(K)=sum(Xiqieki)/sum(Xiqi) %Theta
end
for K=1:KN
for m=1:KN
OmTmk(m)=O(m)*Tmk(m,K)
end
Sk(K)=sum(OmTmk)
end
for i=1:NC
for j=1:NC
rjXj(j)=ri(j)*Xi(j)
qjXj(j)=qi(j)*Xi(j)
end
J(i)=ri(i)/sum(rjXj)
L(i)=qi(i)/sum(qjXj)
gc(i)=1-J(i)+log(J(i))-5*qi(i)*(1-(J(i)/L(i))+log(J(i)/L(i)))
for K=1:KN
sumatoria(K)=O(K)*(Bik(i,K)/Sk(K))-eki(K,i)*log(Bik(i,K)/Sk(K))
end
gr(i)=qi(i)*(1-sum(sumatoria))
g(i)=gc(i)+gr(i)
gfinal(i)=exp(g(i))
end
plot(Xi(1),g(1),'.')
hold on
plot(Xi(1),g(2),'.')
hold on
GRT=Xi(1)*g(1)+Xi(2)*g(2)
plot(Xi(1),GRT,'.')
hold on
GRTx1x2=GRT/Xi(1)*Xi(2)
plot(Xi(1),GRTx1x2,'.')
hold on
n=n+0.001
end
Gráfico Coeficiente Benceno vs. 1-Butanol
clear all
% Coeficiente de Actividad UNIFAC
k=[1 2 15 10]
KN=4
Rk=[0.9011 0.6744 1.0000 0.5313]
Qk=[0.848 0.540 1.200 0.400]
Vk=[0 1;0 3;0 1;6 0]
NC=2 %Numero de compuestos
T=308.15 %K
%Parametros de interaccion
Amk=[0 0 986.5 61.13;0 0 986.5 61.13;156.40 156.40 0 89.60;-11.12 -11.12 636.1 0]
n=0
while n<1
X10=n
Xi=[X10 1-X10]
for i=1:NC
for K=1:KN
VkRk(K)=Vk(K,i)*Rk(K)
VkQk(K)=Vk(K,i)*Qk(K)
end
qi(i)=sum(VkQk)
ri(i)=sum(VkRk)
end
for i=1:NC
for K=1:KN
eki(K,i)=Vk(K,i)*Qk(K)/qi(i)
end
Tmk=exp(-Amk/T) %TAO
end
for i=1:NC
for K=1:KN
for m=1:KN
emiTmk(m)=eki(m,i)*Tmk(m,K)
end
Bik(i,K)=sum(emiTmk) %Betha
...