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CHEP 530D1
COMPUTER APPLICATIONS
IN
CHEMICAL ENGINEERING
Crispulo G. Maranan
Instructor
Laboratory Exercise
February 22, 2014
129
Laboratory Exercise
February 22, 2014
130
are expected to reach phase equilibrium on each contacting stage of the distillation column.(The other
major class of separations is rate-governed processes such as filtration, which depend upon the relative
rates of flow of the components under a driving force).
4. Resources:
Matlab
5. Procedure:
1. For a binary batch distillation process involving two components designated 1 and 2, the moles of
liquid remaining, L, as a function of the mole fraction of the component 2, x2, can be expressed by the
following equation
where k2 is the vapor liquid equilibrium ratio for component 2. If the system may be considered ideal, the
vapor liquid equilibrium ratio can be calculated from where Pi is the vapor pressure of component i and P
is the total pressure.
A common vapor pressure model is the Antoine equation which utilizes three parameters A, B, and C for
component i as given below where T is the temperature in C.
The temperature in the batch still follow the bubble point curve. The bubble point temperature is defined
by the implicit algebraic equation which can be written using the vapor liquid equilibrium ratios as
Consider a binary mixture of benzene (component 1) and toluene (component 2) which is to be
considered as ideal. The Antoine equation constants for benzene are A1 = 6.90565, B1 = 1211.033 and
C1 = 220.79. For toluene A2 = 6.95464, B2 = 1344.8 and C2 = 219.482 (Dean1). P is the pressure in mm
Hg and T the temperature in C.
The batch distillation of benzene (component 1) and toluene (component 2) mixture is being carried out
at a pressure of 1.2 atm. Initially, there are 100 moles of liquid in the still, comprised of 60% benzene and
40% toluene (mole fraction basis). Calculate the amount of liquid remaining in the still when
concentration of toluene reaches 80%.
2. Determine the input parameters of Procedure 1. Tabulate them.
3.Determine the process ( the mathematical expression involved) for Procedure 1.
4. Determine the output parameters of Procedure 1.
5.Create an m-file for Procedure 1.
Laboratory Exercise
February 22, 2014
131
0.45
0.5
0.55
0.6
0.65
0.7
0.75
0.8
M-file
%filename bubbles.m
% Binary Batch Distillation
clear
global A B C P T
A = [6.90565 6.95464];
B = [1211.033 1344.8];
C = [220.79 219.482];
P = 1.2*760;
Lo = 100;
% moles of toluene
x_start = 0.40;
Bautista, Keziah Lynn S.
No. 7
Binary Batch Distillation
Laboratory Exercise
February 22, 2014
132
x_final = 0.80;
T = (80.1+110.6)/2;
xspan = [x_start x_final];
[x L] = ode45('distillation',xspan,Lo);
plot(x,L,'r')
title('Batch Distillation')
xlabel('Mole Fraction of Toluene')
ylabel('Moles of Liquid')
output = [x L];
save batch.dat output -ascii
Function File
%filename distillation.m
function dL_dx = distill(x,L)
global A B C P T x2
x2 = x;
T = fzero('vapor',T);
P_i = 10.^(A-B./(T+C));
k = P_i./P;
dL_dx = L/x2/(k(2)-1);
Function File
%filename vapor.m
function f = vapor(T)
global A B C P x2
x1 = 1-x2;
P_i = 10.^(A-B./(T+C));
k = P_i./P;
f = 1 - k(1)*x1 - k(2)*x2;
7. Conclusion:
Another function of matlab is solving binary batch distillation where we use different functions such as
command window, script file and function file to solve a common distillation problem.
8. Further Readings:
Ferraris, G. and Manenti, F. (2010). Interpolation and regression models for the chemical engineer:
solving numerical problems. Germany: Wiley-VCH Verlag
Filo, O. (2010). Information processing by biochemical systems: neural network type configurations.
New Jersey: Wiley.
Gopal, S. (2009). Bioinformatics: a computing perspective. India: McGraw-Hill Science/Engineering
Math.
Jaluria, Y. (2012). Computer methods for engineering with MATLAB applications (2nd ed.). Boca,
Raton,Florida: CRC Press.
Knopf, F. C. (2012). Modeling, analysis and optimization of process and energy systems.Hoboken,
New Jersey: John Wiley and Sons.
Velten, K. (2009). Mathematical modeling and simulation: introduction for scientists and engineers.
Singapore: Wiley-VCH.
Bautista, Keziah Lynn S.
No. 7
Binary Batch Distillation
Laboratory Exercise
February 22, 2014
133
Laboratory Exercise
February 22, 2014
134
Evaluated by:
Laboratory Exercise
February 22, 2014
135