Final Term Lab Assignment

Computer Applications in Chemical Engineering Lab

(CHE247)
Objective:
Simulation Practice in ASPEN HYSYS and chemical
engineering calculations in MATLAB.

Submitted by:
M. Shahnoor
RP22-CE26

Submitted to:
Dr. Rabya Aslam

ICET-PU
ASPEN HYSYS Section Report:
Q no 1:
Consider an equimolar stream of water and ethanol at 298 K and 1 atm with the molar flow rate of 100
kmole/hr. Calculate all properties of this stream.

Properties
Stream Name Feed Liquid Phase
Molecular Weight 32.0425005 32.0425005
Molar Density [kgmole/m3] 27.42416593 27.42416593
Mass Density [kg/m3] 878.7388505 878.7388505
Act. Volume Flow [m3/h] 3.64641901 3.64641901
Mass Enthalpy [kJ/kg] -8786.457751 -8786.457751
Mass Entropy [kJ/kg-C] 0.480224253 0.480224253
Heat Capacity [kJ/kgmole-C] 113.8331005 113.8331005
Mass Heat Capacity [kJ/kg-C] 3.552566085 3.552566085
LHV Molar Basis (Std) [kJ/kgmole] 617735 617735
HHV Molar Basis (Std) [kJ/kgmole] 699755 699755
HHV Mass Basis (Std) [kJ/kg] 21838.33937 21838.33937
CO2 Loading <empty> <empty>
CO2 Apparent Mole Conc.
[kgmole/m3] <empty> <empty>
CO2 Apparent Wt. Conc. [kgmol/kg] <empty> <empty>
LHV Mass Basis (Std) [kJ/kg] 19278.61404 19278.61404
Phase Fraction [Vol. Basis] 0 1
Phase Fraction [Mass Basis] 0 1
Phase Fraction [Act. Vol. Basis] 0 1
Mass Exergy [kJ/kg] 0.339345929 <empty>
Partial Pressure of CO2 [kPa] 0 <empty>
Cost Based on Flow [Cost/s] 0 0
Act. Gas Flow [ACT_m3/h] <empty> <empty>
Avg. Liq. Density [kgmole/m3] 26.34016425 26.34016425
Specific Heat [kJ/kgmole-C] 113.8331005 113.8331005
Std. Gas Flow [STD_m3/h] 2364.443643 2364.443643
Std. Ideal Liq. Mass Density [kg/m3] 844.0047261 844.0047261
Act. Liq. Flow [m3/s] 1.01E-03 1.01E-03
Z Factor 1.49E-03 1.49E-03
Watson K 10.76251059 10.76251059
User Property <empty> <empty>
Partial Pressure of H2S [kPa] 0 <empty>
Cp/(Cp - R) 1.078794694 1.078794694
Cp/Cv 1.119377782 1.119377782
Ideal Gas Cp/Cv 1.201825255 1.201825255
Ideal Gas Cp [kJ/kgmole-C] 49.5099572 49.5099572
Mass Ideal Gas Cp [kJ/kg-C] 1.545134007 1.545134007
Heat of Vap. [kJ/kgmole] 40230.30969 <empty>
Kinematic Viscosity [cSt] 1.167766869 1.167766869
Liq. Mass Density (Std. Cond)
[kg/m3] 887.4407731 887.4407731
Liq. Vol. Flow (Std. Cond) [m3/h] 3.610663547 3.610663547
Liquid Fraction 1 1
Molar Volume [m3/kgmole] 3.65E-02 3.65E-02
Mass Heat of Vap. [kJ/kg] 1255.529658 <empty>
Phase Fraction [Molar Basis] 0 1
Surface Tension [dyne/cm] 47.11794565 47.11794565
Thermal Conductivity [W/m-K] 0.334694047 0.334694047
Bubble Point Pressure [kPa] 7.262806371 <empty>
Viscosity [cP] 1.026162116 1.026162116
Cv (Semi-Ideal) [kJ/kgmole-C] 105.5187805 105.5187805
Mass Cv (Semi-Ideal) [kJ/kg-C] 3.293088208 3.293088208
Cv [kJ/kgmole-C] 101.6931927 101.6931927
 Mass Cv [kJ/kg-C] 3.173697157 3.173697157
Cv (Ent. Method) [kJ/kgmole-C] <empty> <empty>
Mass Cv (Ent. Method) [kJ/kg-C] <empty> <empty>
Cp/Cv (Ent. Method) <empty> <empty>
Reid VP at 37.8 C [kPa] 15.90321267 15.90321267
True VP at 37.8 C [kPa] 14.92942863 14.92942863
Liq. Vol. Flow - Sum(Std. Cond)
[m3/h] 3.610663547 3.610663547
Viscosity Index 5.302345397 <empty>

Q no 2:
Find the vapor pressure for the binary mixture of 40 mol% n-hexane and 60% n-heptane at 120°C.
Assume flow rate of 1kmol/hr.

Result:
Q no 3:
A mixture of ammonia and water in vapor phase saturated at 250 psia and containing 75 wt% ammonia,
is passed through a condenser at a flow rate of 8000 lb/hr, where heat is removed at the rate of
3.27106 kJ/hr. Its effluent is expanded to a pressure of 150 psia and fed into a flash drum. Neglect the
heat loss from the equipment to the surrounding and the pressure drop in the condenser. It is desired to
determine the composition of the liquid stream leaving the separator.

Result:

Q no 4:
Consider an equimolar stream of methane, ethane, and propane with molar flow rate of 25kmol/h is at
2.5 bar. Calculate temperature in which vapor fraction is 80%.

Result:
Q no 5:
An equimolar stream of water and methanol at 25 °C and 1 atm with molar flow rate of 100 kmole/hr is
fed to an adiabatic separator.  Calculate the temperature of the inlet stream at which the molar flow
rate of water in the liquid outlet is 40 kmole/hr.
Q no 6:
Methane is to be heated from 300 to 600 °C in a heat exchanger. The flow rate of the gas is 32000 kg/hr.
Assuming constant pressure operating. How much heat must be transferred into the gas to raise its
temperature? The basis of calculations is 32000 kg/hr of feed, Ti= 300 °C, P0= 100 psia.

Result:

Q no 7:
Plot the mass density of the equimolar n-hexane and cyclo-hexane system as function of temperature
from 0 to 80 C at 200kPa.

Result:
Solve the following using MATLAB
Q no 8.
Calculate the molar volume and density of CO2 at 50 bar and 450 K (176.85°C) using ideal gas law and the Redlich-
Kwong (RK) equation of state. Under these conditions, the molar volume given in Perry’s Handbook is 0.7065 m3
/kmol (p. 2-241, 8th ed.). Cubic form of the Redlich-Kwong equation:

Script Window code:

disp('Question no 8 (Solution)')

p = 5000; %kPa

T = 450; %K

R = 8.3145; %kPa.m3/(kmol.K)

pc = 7374; %kPa

Tc = 304.12; %K

M = 44.01; %kg/kmol

volume_using_IG_eq = (R*T)/p %m3/kmol

density_using_IG_eq = (p*M)/(R*T) %kg/m3

a = 0.42747*(R^2)*(Tc^2)/pc; %m6.kPa/lmol2

b = 0.08664*R*Tc/pc; %m3/kmol

alpha = sqrt(Tc/T);

Pe = [1, -(R*T/p), ((a*alpha/p)-(b*R*T/p)-(b^2)), -(a*alpha*b/p)];

v=roots(Pe); %m3/kmol

Volume_using_Redlich_eq=max(v)

Density_using_Redlich_eq = max(M/v) %kg/m3

Results in Command window :

>> Redlich_kwonk_eq

Question no 8 (Solution)

volume_using_IG_eq =

0.7483

density_using_IG_eq =

58.8129

Volume_using_Redlich_eq =
 0.6978

Density_using_Redlich_eq =

63.0682

>>

Q no 9 :
Solve the following ODE

y(0) = 0.1, use step size of 0.1

Write script file using for loop to

a: Compare(calculate the percent error at each point) the results with exact solution which is as follows
𝑦 = 3𝑒30𝑡 26+4𝑒30𝑡.

b: repeat the solution with step size of 0.05 and again compare your results with exact solution by
calculating percent error at each point

c: repeat the solution with step size of 0.025 and compare your results with exact solution.

d: solve the same problem using ode45 builitin command.

Script Window code:

disp('Question no 9 (Solution)')
disp('Part a Solution')
disp('Step size of 0.1')
f=@(t,y) 30*y-40*y.^2;
Y=@(t) 3*exp(30*t)./(26+4*exp(30*t));
t0 = 0;
y0 = 0.1;
h = 0.1;
n = 10; % Number of Readings--10
t(1)=t0;
y(1)=y0;
% Euler Method
for i = 1:n
y(i+1) = y(i)+ h * f(t(i),y(i));
t(i+1) = t(i)+ h;
end
y_exact=Y(t);
percent_error =100*abs((y_exact-y)./y_exact);
Result=[t;y;y_exact;percent_error];
fprintf('t\t y\t y_exact\t percent_error\n');
fprintf('%0.2f\t %0.2f\t %0.2f\t %0.2f\n', Result)

disp('Part b Solution')
disp('Step size of 0.05')
f=@(t,y) 30*y-40*y.^2;
Y=@(t) 3*exp(30*t)./(26+4*exp(30*t));
t0 = 0;
y0 = 0.1;
h = 0.05;
n = 10; % Number of Readings--10
t(1)=t0;
y(1)=y0;
% Euler Method
for i = 1:n
y(i+1) = y(i)+ h * f(t(i),y(i));
t(i+1) = t(i)+ h;
end
y_exact=Y(t);
percent_error =100*abs((y_exact-y)./y_exact);
Result=[t;y;y_exact;percent_error];
fprintf('t\t y\t y_exact\t percent_error\n');
fprintf('%0.2f\t %0.2f\t %0.2f\t %0.2f\n', Result)
disp('Part c Solution')
disp('Step size of 0.025')
f=@(t,y) 30*y-40*y.^2;
Y=@(t) 3*exp(30*t)./(26+4*exp(30*t));
t0 = 0;
y0 = 0.1;
h = 0.025;
n = 10; % Number of Readings--10
t(1)=t0;
y(1)=y0;
% Euler Method
for i = 1:n
y(i+1) = y(i)+ h * f(t(i),y(i));
t(i+1) = t(i)+ h;
end
y_exact=Y(t);
percent_error =100*abs((y_exact-y)./y_exact);
Result=[t;y;y_exact;percent_error];
fprintf('t\ty\ty_exact\tpercent_error\n');
fprintf('%0.2f\t %0.2f\t %0.2f\t %0.2f\n', Result)
disp('"Quite visible,As per step size is decreasing % error is also decreasing"')
disp('Part d Solution')
disp('Solving ODE using ODE45 Command')
f=@(t,y) 30*y-40*y.^2;
t0 = 0;
y0 = 0.1;
h=0.1;
[t y]=ode45(f,[0:0.1:1],0.1);
result=[t;y];
fprintf('t\t y\n')
fprintf('%0.2f\t %0.2f\n', result)

Results in Command window :

>> Shahnoor_final_lab_assignment
Question no 9 (Solution)
Part a Solution
Step size of 0.1
t y y_exact percent_error
0.00 0.10 0.20 0.30
0.40 0.50 0.60 0.70
0.80 0.90 1.00 0.10
0.36 0.92 0.29 0.82
0.59 0.97 0.11 0.40
0.96 0.15 0.10 0.57
0.74 0.75 0.75 0.75
0.75 0.75 0.75 0.75
0.75 0.00 36.47 24.86
61.43 9.60 21.94 29.44
84.89 46.40 28.21 80.29
Part b Solution
Step size of 0.05
t y y_exact percent_error
0.00 0.05 0.10 0.15
0.20 0.25 0.30 0.35
0.40 0.45 0.50 0.10
0.23 0.47 0.73 0.76
0.75 0.75 0.75 0.75
0.75 0.75 0.10 0.31
0.57 0.70 0.74 0.75
0.75 0.75 0.75 0.75
0.75 0.00 24.86 17.19
4.75 2.70 0.20 0.35
0.12 0.07 0.03 0.02
Part c Solution
Step size of 0.025
t y y_exact percent_error
0.00 0.03 0.05 0.08
0.10 0.12 0.15 0.17
0.20 0.22 0.25 0.10
0.17 0.26 0.39 0.53
0.65 0.71 0.74 0.75
0.75 0.75 0.10 0.18
0.31 0.45 0.57 0.65
0.70 0.73 0.74 0.74
0.75 0.00 10.45 14.56
12.54 6.52 0.64 1.98
1.96 1.24 0.67 0.34
"Quite visible,As per step size is decreasing % error is also decreasing"
Part d Solution
Solving ODE using ODE45 Command
t y
0.00 0.10
0.20 0.30
0.40 0.50
0.60 0.70
0.80 0.90
1.00 0.10
0.57 0.74
0.75 0.75
0.75 0.75
0.75 0.75
0.75 0.75
>>

Q no 10 :
If y=x4+3x2+2x+5 write a program to find its roots

Script Window code:

disp('Question no 10 (Solution)')
disp('Solution for this equation y=x4+3x2+2x+5')
y=[1 0 3 2 5];
roots_of_the_above_eq=roots(y)

Results in Command window :

>> Shahnoor_final_lab_assignment
Question no 10 (Solution)
Solution for this equation y=x4+3x2+2x+5
roots_of_the_above_eq =
0.6566 + 1.6409i
0.6566 - 1.6409i
-0.6566 + 1.0815i
-0.6566 - 1.0815i
>>

Q no 11:
Write a program to calculate x using Quadratic equation

a = 2, b = −10, c = 12

Script Window code:

disp('Question no 11 (Solution)')
disp('Find x using Quadratic equation')
a=2;
b=-10;
c=12;
x =(-b+(sqrt((b^2)-(4*a*c))))/(2*a);
x

Results in Command window :

>> Shahnoor_final_lab_assignment
Question no 11 (Solution)
Find x using Quadratic equation
x=
3
>>

Q no 12:
The x-y data of a system is given below. Plot the data and properly label it within x = 0 to x = 1.4. find
area under curve within this range as well

Script Window code:

disp('Question no 12 (Solution)')
x=[0,0.2,0.4,0.6,0.8,1.0,1.2,1.4,1.6]
y=[5,5.2,5.3,5.4,5.5,5.6,5.7,5.7,5.8]
Area_under_the_curve=trapz(x,y)
plot(x,y)
xlabel('x')
ylabel('y')

Results in Command window :

>> >> Shahnoor_final_lab_assignment
Question no 12 (Solution)
x=
0 0.2000 0.4000 0.6000 0.8000 1.0000 1.2000 1.4000 1.60
y=
5.0000 5.2000 5.3000 5.4000 5.5000 5.6000 5.7000 5.7000 5.8000
Area_under_the_curve =
8.7600
>>

Graph:
Q no 13 :
A trigonometric identity is given by following relation

Verify that the identity is correct by calculating the left and right hand side of equations at x=pi/5

Script Window code:

disp('Question no 13 (Solution)')
x=pi/5;
L_H_S=(cos(x/2))^2
R_H_S=(tan(x)+sin(x))/(2*tan(x))
disp('Hence proved that LHS=RHS')

Results in Command window :

>> Shahnoor_final_lab_assignment
Question no 13 (Solution)
L_H_S =
0.9045
R_H_S =
0.9045
Hence proved that LHS=RHS
>>

Q no 14 :
Create following matrices in Matlab/octave:

a. Calculate A+B and B+A

b. Calculate A+(B+C) and (A+B)+C

c. Show that multiplication with scalar quantity is distributive (e.g. 3(A+B)=3A+3B)

Script Window code:
disp('Question no 14 (Solution)')
A=[5 2 4;1 7 -3;6 -10 0];
B=[11 5 -3;0 -12 4;2 6 1];
C=[7 14 1;10 3 -2;8 -5 9];
a_1=A+B
a_2=B+A
b_1=A+(B+C)
b_2=(A+B)+C
c_1=3*(A+B)
c_2=3*A+3*B
disp('Proved: Multiplication with scalar quantity is distributive c_1=c_2')

Results in Command window :

>> Shahnoor_final_lab_assignment

Question no 14 (Solution)

a_1 =

16 7 1
1 -5 1
8 -4 1

a_2 =

16 7 1
1 -5 1
8 -4 1

b_1 =

23 21 2
11 -2 -1
16 -9 10

b_2 =

23 21 2
 11 -2 -1
16 -9 10

c_1 =

48 21 3
3 -15 3
24 -12 3

c_2 =

48 21 3
3 -15 3
24 -12 3

Proved: Multiplication with scalar quantity is distributive c_1=c_2

>>