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Collocation Technique to
Solve Transport Phenomena
W
Problems With Matlab
and Mathematica
HOUSAM BINOUS,1 ABDULLAH A. SHAIKH,1 AHMED BELLAGI2
1
Department of Chemical Engineering, King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi Arabia
Departement de Genie Energetique (Energy Engineering Department), Ecole Nationale dIngenieurs de Monastir,
University of Monastir, Tunisia
We present in this pedagogical paper an alternative numerical method for the resolution of
transport phenomena problems encountered in the teaching of the required course on transport phenomena in the
graduate chemical engineering curricula. Based on the Chebyshev orthogonal collocation technique implemented
in Matlab1 and Mathematica , we show how different rather complicated transport phenomena problems involving
partial differential equations and split boundary value problems can now readily be mastered. A description of several
sample problems and the resolution methodology is discussed in this paper. The objective of the incorporation of this
approach is to develop the numerical skills of the graduate students at King Fahd University of Petroleum & Minerals
(KFUPM) and to broaden the extent of transportphenomena problems that can be addressed in the course. We noted with
satisfaction that the students successfully adopted this numerical technique for the resolution of problems assigned as term
projects. 2014 Wiley Periodicals, Inc. Comput Appl Eng Educ 9999:110, 2014; View this article online at
wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21612
Keywords: transport phenomena; orthogonal collocation; Chebyshev; Matlab1; Mathematica
INTRODUCTION
The teaching of Transport Phenomena and Numerical Methods is
typical of graduate programs in chemical engineering. We need not
elaborate on the different phases in the teaching of the Numerical
Methods course; however, it is fair to suggest that there are three
distinct phases: (1) development of Fortran programs [1,2]; (2)
application of IMSL codes; and (3) application of commercial
software codes. The great revolution in computational power has
allowed most users to focus on the third phase, where software
codes, such as Matlab, Mathcad, or Mathematica can be used to
attack a variety of engineering problems in reaction analysis and
transport phenomena. The integration of such software codes in
jp
;
N
j 0; ; N
8
2N 2 1
>
>
d 00
>
>
>
6
>
>
<
2N 2 1
d NN
>
6
>
>
>
yj
>
>
>
for 1 j N 1
d
: jj
21 y2j
For 0 j, k N with j 6 k, the element djk writes
jk
d jk
with
cj 1
ck yj yk
cm 1 for 1 m N 1 and c0 cN 2.
If n is the vector formed by the values of the function u(y) at
the locations yj, j 0, , N the values of the approximations n0 and
n00 of the derivates u0 and u00 of u at the grid points yj are calculated
as follows:
n0 Dn;
n00 D2 n
u1 2:
@t @y2
with the initial and boundary conditions
ut 0; y 1
ut; y 0 0
ut; y 1 0
yj
uja
ujb
1.0000
0.9877
0.9511
0.8910
0.8090
0.7071
0.5878
0.4540
0.3090
0.1564
0.0000
0.1564
0.3090
0.4540
0.5878
0.7071
0.8090
0.8910
0.9511
0.9877
1.0000
2.0000
1.9837
1.9366
1.8634
1.7704
1.6634
1.5471
1.4243
1.2969
1.1656
1.0310
0.8938
0.7552
0.6170
0.4822
0.3545
0.2385
0.1399
0.0642
0.0164
0
2.
1.9836
1.9365
1.8634
1.7704
1.6634
1.5470
1.4243
1.2969
1.1656
1.0309
0.8937
0.7551
0.6170
0.4822
0.3544
0.2385
0.1398
0.0641
0.0163
2.4087 1021
Chebyshev collocation.
Shooting method.
0
u
>
0
>
>
:
uN t 0
where D2 DD (bjk)0j,kN is the square of the derivative
matrix, D. The initial conditions for the DAEs are uj(t 0) 1 for
j 0, , N. Such system of differential algebraic equations is
readily solved using Mathematica and Matlab1 builtin functions
1
X
2
2 2
1 cosnpen p t sinnpx:
np
n1
CASE STUDIES
The Arnold Problem
Consider as a rst case the unsteady evaporation of a liquid A in
nondiffusing gas B. The migration of the molecules of A in the
gas phase is described by the equation [19]:
@cA
@ 2 cA
DAB
@cA
@cA
DAB 2
8
@t
@z
1 cA0 =ct @z z0 @z
where DAB is the gas diffusion coefcient, cA0, the interfacial gas
phase concentration, z, the vertical gas phase position and
ct cA cB.
The initial and boundary conditions for this problem are:
t 0;
cA z; 0 0
z 0;
z 1;
cA 1; t 0
cA0
1 erf w
yj
uja
ujb
1.0000
0.9938
0.9755
0.9455
0.9045
0.8536
0.7939
0.7270
0.6545
0.5782
0.5000
0.4218
0.3455
0.2730
0.2061
0.1464
0.0955
0.0545
0.0245
0.0062
0
0
0.0307
0.1218
0.2670
0.4500
0.6407
0.8029
0.9124
0.9693
0.9914
0.9965
0.9914
0.9693
0.9124
0.8029
0.6407
0.4500
0.2670
0.1218
0.0307
0
0.
0.0309
0.1225
0.2686
0.4525
0.6437
0.8058
0.9145
0.9704
0.9918
0.9967
0.9918
0.9704
0.9145
0.8058
0.6437
0.4525
0.2686
0.1225
0.03093
0.
Chebyshev collocation.
Separation of variables.
p
where j z= 4DAB t , and w is obtained by solving the following
nonlinear equation:
1
cA0 =ct
ew
w p
:
p 1 cA0 =ct 1 erf w
2
10
A0
t
k0
!
!
N
N
X
X
2
d 0k cA;k t
d jk cA;k t ;
L
k0
k0
for
j 1; ; N 1
cA;0 t 0
11
cx; 0 0;
x 0;
c0; t 1;
x 1;
c1; t 0:
13
f 0 1 1:
N
P
k0
N
P
k0
d0k fk 1
dNk fk 0
fN 0 0
>
>
>
!
!
>
>
3 P
2
>
N
N
P
>
>
2
2
@
>
e
f
f
b
f
>
j
jk k
jk k b 1
L
> L
>
>
k0
k0
>
:
for j 1; . . . ; N 2
P
N
2
L
k0
djk fk
!2 1
A0
14
15
c
4vgbT w T /=4v2 1=4 x3=4
Grx
4
1=4
y
x
Figure 6 Velocity prole for (a) the powerlaw uid and (b) the Carreau
uid. (Red dots: Chebyshev collocation, blue curve a: analytical solution,
blue curve b: shooting method.) [Color gure can be viewed in the online
issue, which is available at wileyonlinelibrary.com.]
18
2
uz r
2
1
Ak J 0 lk evlk =R t
u
uz;max
R
R
k1
where
Ak
2
R2 J 1 lk 2
ZR
rJ 0 lk R2 r2 dr
R
and lk are the roots of the zeroth order Bessel function of the 1st
kind (i.e., J0(lk) 0).
Table 3 gives a list of these values and Table 4 shows a
comparison between the analytical solution (truncated up to k 7)
and our Chebyshev numerical solution.
Figure 7 (a) Temperature prole and (b) velocity prole for free
convection past an isothermal vertical plate in the case of Pr 10. (Red dots:
Chebyshev collocation, blue curve: shooting technique.) [Color gure can
be viewed in the online issue, which is available at wileyonlinelibrary.com.]
Table 3
lk
1
2
3
4
5
6
7
2.4048
5.5201
8.6537
11.7915
14.9309
18.0711
21.2116
19
CONCLUDING REMARKS
j
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
yj
uja
ujb
1.0000
0.9938
0.9755
0.9455
0.9045
0.8536
0.7939
0.7270
0.6545
0.5782
0.5000
0.4218
0.3455
0.2730
0.2061
0.1464
0.0955
0.0545
0.0245
0.0062
0
0
0.0084
0.0326
0.0706
0.1188
0.1732
0.2295
0.2839
0.3335
0.3764
0.4117
0.4394
0.4602
0.4751
0.4852
0.4916
0.4952
0.4970
0.4977
0.4979
0.4979
0.0000
0.0084
0.0326
0.0706
0.1188
0.1731
0.2294
0.2838
0.3333
0.3762
0.4114
0.4390
0.4598
0.4747
0.4847
0.4911
0.4947
0.4965
0.4972
0.4973
0.4973
j
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
yj
uja
ujb
1.0000
0.9938
0.9755
0.9455
0.9045
0.8536
0.7939
0.7270
0.6545
0.5782
0.5000
0.4218
0.3455
0.2730
0.2061
0.1464
0.0955
0.0545
0.0245
0.0062
0
0
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0003
0.0016
0.0079
0.0295
0.0854
0.1940
0.3561
0.5474
0.7313
0.8775
0.9691
1.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0003
0.0016
0.0078
0.0292
0.0849
0.1933
0.3554
0.5467
0.7309
0.8773
0.9690
1.0000
Chebyshev collocation.
Separation of variables.
APPENDIX B
ACKNOWLEDGMENT
The support of King Fahd University of Petroleum & Minerals is
duly acknowledged.
The implementation can be tested for Np 5 through
comparison with the results given in Ref. [16]:
APPENDIX A
Advanced Transport Phenomena I (CHE 501)
First Semester 20132014 (Term 131)
Objective: Continuum theory of momentum, energy and mass transfer.
Viscous behavior of fluids. Molecular transport mechanisms. General
property balance. Laminar and Turbulent flow. Convective transport.
Momentum, heat and mass applications of transport phenomena.
Prerequisites: Graduate Standing
Outcomes:
Understand the similarities between the different types of transport
phenomena
Apply knowledge of advanced mathematics, science, and engineering
principles in solving chemical engineering problems.
Formulate transport phenomena problems and set boundary conditions
for solving differential equations.
Conduct independent research projects.
Communicate effectively orally and in writing.
Use Matlab and Mathematica to solve problems related to momentum,
heat and mass transfer.
Textbook: Transport Phenomena, by Bird, Steward and Lightfoot, 2nd
Edition, Wiley, 2007.
Topics:
Chapters in BSL
Grading System:
HW Assignments
Mid Term
Project
Final Exam
10%
30%
20%
40%
REFERENCES
[1] B. Carnahan, H. A. Luther, and J. O. Wilkes, Applied numerical
methods. New York, Wiley, 1969.
[2] W. S. Dorn and D. D. McCracken, Numerical methods with Fortran IV
Case studies. New York, Wiley, 1972.
[3] K. F. Loughlin and A. A. Shaikh, Evolution of integration of computer
education in the chemical engineering curriculum. In: Proceedings of
the Symposium of Engineering Education, King Abdulaziz University, Jeddah, November, 2001.
[4] S. J. Parulekar, Numerical problem solving using Mathcad in
undergraduate reaction engineering, Chem Eng Educ 40 (2006),
1423.
[5] D. Adair and M. Jaeger, Integration of computational uid dynamics
into a uid mechanics curriculum, Comput Appl Eng Educ 22 (2014),
131141.
[6] N. Brauner and M. Shacham, Numerical experiments in uid
mechanics with a tank and draining pipe, Comput Appl Eng Educ
2 (1994), 175183.
[7] A. Campo and C. H. Amn, A simple way to determine the two
asymptotic Nusselt number expressions for intube, laminar forced
convective ows employing the method of lines, Comput Appl Eng
Educ 6 (1998), 7987.
10
BIOGRAPHIES
Dr. Housam Binous, a visiting associate
professor at King Fahd University Petroleum
& Minerals, has been a full time faculty member
at the National Institute of Applied Sciences and
Technology in Tunis for eleven years. He earned
a Diplme dingnieur in Biotechnology from
the Ecole des Mines de Paris and a PhD in
Chemical Engineering from the University of
California at Davis. His research interests include
the applications of computers in chemical
engineering.
A. A. Shaikh is professor of chemical engineering at King Fahd University of Petroleum &
Minerals. He obtained his PhD from the
University of Notre Dame, USA, in 1984. His
main research interests include dynamics of
reactive systems, catalytic uidizedbed reactors,
and applied and computational mathematics.
Prof. Shaikh is a senior member of the American
Institute of Chemical Engineers, and member of
S c Scientic Research Society, among other
international and local professional societies.