CHE221 - CHEMICAL ENGINEERING THERMODYNAMICS

LAB REPORT – 7
NAME : Jay Jain(220476)
• AIM :
Using given experimental data, for the temperature (T = 328.15 K) and liquid
phase composition (x1_exp) (1st column of table 1) of a binary mixture
comprising Acetone (1) and Methanol (2), calculate the vapor phase
composition (y1_sim) and total pressure (𝑃sim). Also, validate your calculated
vapor phase compositions (y1_sim) with the experimental gas phase
composition (y1_exp) provided below. For this do following:
1. Plot 𝑷𝒆𝒙𝒑 vs 𝒚𝟏_𝒔𝒊𝒎 and 𝑷𝒆𝒙𝒑 vs 𝒚𝟏_𝒆𝒙𝒑 on single figure.
2. Plot 𝑷𝒔𝒊𝒎 vs 𝒚𝟏_𝒔𝒊𝒎 and 𝑷𝒔𝒊𝒎 vs 𝒚𝟏_𝒆𝒙𝒑 on single figure.
3. Plot 𝑷𝒔𝒊𝒎 vs 𝑷𝒆𝒙𝒑.
4. Plot 𝒚𝟏_𝒔𝒊𝒎 vs 𝒚𝟏_𝒆𝒙𝒑

• METHODOLOGY :
❖ EQUATIONS USED :
𝐵
1. log 𝑃𝑠𝑎𝑡 = 𝐴 −
10 𝑖 𝐶+𝑇
𝑎 27𝑅2𝑇2𝑐 𝑅𝑇𝑐
2. (𝑃 + 𝜈2
) × (𝜈 − 𝑏) = 𝑅𝑇; 𝑎 = ;𝑏 = 8𝑃𝑐
64𝑃𝑐
𝑏1 𝑎1 𝑡
𝑃 𝑡𝑉 1
3. ln 𝜙1 = (−1) ∗ [ln (1 − { }) + ( ) + ln (𝑃 𝑉1) + (1 − )]
𝑉1 𝑉1𝑅𝑇 𝑅𝑇 𝑅𝑇
𝑡
𝑏2 𝑎2 𝑃 𝑡𝑉 2
4. ln 𝜙2 = (−1) ∗ [ln (1 − { }) + ( ) + ln (𝑃 𝑉2) + (1 − )]
𝑉2 𝑉2𝑅𝑇 𝑅𝑇 𝑅𝑇
5. 𝑥1 × 𝑃𝑠𝑎𝑡 = 𝑦 × 𝜙 × 𝑃
1 1 1
6. 𝑥2 × 𝑃𝑠𝑎𝑡 = 𝑦 × 𝜙 × 𝑃
2 2 2
7. 𝑃 = 𝑥1 × 𝑃𝑠𝑎𝑡 + 𝑥2 × 𝑃𝑠𝑎𝑡 = 𝑦 × 𝜙 × 𝑃 + 𝑦 × 𝜙 × 𝑃
1 2 1 1 2 2

Components A B C

Acetone 4.42448 1312.253 -32.445

Methanol 5.20409 1581.341 -33.50

Components 𝑻𝑪 (Critical Temperature) K 𝑷𝑪 (Critical Pressure) Pa

Acetone 508 4800000
Methanol 513 8100000

• RESULT :
❖ QUESTION 1 :
❖ QUESTION 2 :

❖ QUESTION 3 :
❖ QUESTION 4 :
• CONCLUSION : y1sim is approximately equal to y1exp which can be concluded using graph
number 1 and 2 for Pexp and Psim , respectively.

• APPENDIX :
clc;
data=readmatrix('data.csv');
T = 328.15;
R = 8.314;%in m^3.Pa/k/mol
x1_exp = data(:,1);
Tc_acetone = 508;
Tc_methanol = 513;
Pc_acetone = 4800000;
Pc_methanol = 8100000;% in Pa
antoine_acetone = [4.42448 1312.253 -32.445];
antoine_methanol = [5.20409 1581.341 -33.50];
Psat_acetone = 10^5.*an_eqn(antoine_acetone,T);
Psat_methanol = 10^5.*an_eqn(antoine_methanol,T);% in Pa
P_total = x1_exp.*Psat_acetone + (1-x1_exp).*Psat_methanol;
vdw_acetone = [27*R^2*Tc_acetone^2/(64*Pc_acetone)
R*Tc_acetone/Pc_acetone];
vdw_methanol = [27*R^2*Tc_methanol^2/(64*Pc_methanol)
R*Tc_methanol/Pc_methanol];
% get molar volume for methanol and acetone
for i = 1:length(P_total)
v_acetone(i) = fsolve(@(v) (P_total(i)+vdw_acetone(1)/v^2)*(v-
vdw_acetone(2))-R*T,0.1);% in m^3/mol
v_methanol(i) = fsolve(@(v) (P_total(i)+vdw_methanol(1)/v^2)*(v-
vdw_methanol(2))-R*T,0.1);
% hanol(i) = fsolve(@(v) (P_total(i)+vdw_parameters_methanol(1)/v^2)*(v-
vdw_parameters_methanol(2))-R*T,0.1);% in m^3/mol
end
for i = 1:length(P_total)
fugacity_acetone(i) = fug(P_total(i),v_acetone(i),R,T,vdw_acetone);
fugacity_methanol(i) = fug(P_total(i),v_methanol(i),R,T,vdw_methanol);
end
% calculate y
for i = 1:length(P_total)
y_acetone(i) = x1_exp(i)*Psat_acetone/(fugacity_acetone(i)*P_total(i));
end
% plot
figure(1);
plot(y_acetone,data(:,3));
hold on
plot(data(:,2),data(:,3));
xlabel('y1');
ylabel('pressure exp');
legend('Pexp vs y1 sim','Pexp vs y1 exp');

figure(2);
plot(y_acetone,P_total./1000);
hold on;
plot(data(:,2),P_total./1000);
xlabel('y1');
ylabel('pressure sim');
legend('Psim vs y1 sim','Psim vs y1 exp');

figure(3);
plot(data(:,3),P_total./1000);
xlabel('Pexp');
ylabel('Psim');

figure(4);
plot(data(:,2),y_acetone);
xlabel('y1exp');
ylabel('y1sim');

function f = an_eqn(para,T)
f = 10^(para(1)-para(2)/(para(3)+T));
end
function g = fug(P,v,R,T,vdw_para)
g = exp(-1*(log(1-vdw_para(2)/v)) + vdw_para(1)/(v*R*T) +
log(P*v/(R*T)) + (1-P*v/(R*T)));
end