TUGAS PEMODELAN MATEMATIS DAN KOMPUTASI

CASE 1 (Unsteady State Temperature Distribution in a cylindrical rod in the air)

CASE 2 (Mass Transfer and Reaction in Laminar Flow in a cylindrical pipe)
CASE 3 (Mass Transfer and Reaction in a Falling Film)
CASE 4 (Heat Conduction and Mass Diffusion in Slab Catalyst)

Disusun Oleh :
Himmah Sekar Eka Ayu Gustiana
(16/405832/PTK/11287)

Program Pascasarjana
Jurusan Teknik Kimia
Fakultas Teknik
Universitas Gadjah Mada
Yogyakarta
CASE 1
Unsteady state temperature distribution in a cylindrical rod in the air. A cylinder rod has a length of L and a
diameter D. One of its end is attaching to a wall having temperature of Ts while air temperature around is
constant at Ta. Diameter of the rod is much smaller than the length so that radial temperature gradient is
negligible coefficient of heat transfer between the rod surface to the air is h. The rod is made of material having
heat capacity of Cp, density and heat conductivity k. Please develope mathematical equations to determine
temperature distribution in the rod as a function of position time (unsteady state).

Method of line :

2 1 .
2
. . ( ) =

x=0 x=L

i=1 (i-1) i (i+1) i=N+1

=
= ( 1)

2 +1 2 + 1
=
2 2

The PDE will become

+1 2 + 1 1 .
2
. . ( ) =

+1 2 + 1 1
= [ . . ( )] ;2
. 2

At i=1 : 1 =

At i=N+1

. . 2 |= = . . 2 (|= )
4 4

| = (|= )
=
3+1 4 + 1
= (+1 )
2
2
4 1 +
+1 =
2
3+

%CASE 1 (Unsteady State Temp Distribution in a Cylndrical Rod in the Air

% Data :
k=0.1; %heat conductivity (cal/s/cm/C)
h=0.0007; %rod air heat transfer coef(cal/s/cm2/C)
d=1; %rod diameter(cm)
L=15; %rod length(cm)
Ts=400; %wall temperature(C)
Ta=30; %air temperature(C)
N=100; %number of spatial increment
rho=2.7; %density(g/cc)
Cp=0.2; %heat capacity(cal/g/C)
time=30; %time(second)
%nilai delta x
dx=L/N;

for i=2:N
 T0(i)=Ta;
end
time_span=[0 time];
[time,T] = ode15s(@ode_case1,time_span,T0,[],Ts,dx,h,k,Ta,rho,Cp,N,d);

%memasukkan nilai T1 dan T(N+1) ke matrix [time,T]

T(:,1)=Ts;
T(:,N+1)=(4*T(:,N)-T(:,N-1)+(2*dx*h/k)*Ta)/(3+(2*dx*h/k));

%membuat grafik
for i=1:N+1
x(i)=dx*(i-1)
end
surf(time,x,T')
xlabel('waktu,detik')
ylabel('posisi,cm')
zlabel('suhu,C')
title('Grafik antara waktu,posisi dan suhu')
function ode=ode_case1(time,T,Ts,dx,h,k,Ta,rho,Cp,N,d)
%nilai T1
T(1)=Ts;
%nilai T(N+1)
T(N+1)=(4*T(N)-T(N-1)+(2*dx*h/k)*Ta)/(3+(2*dx*h/k));

for i=2:N
x(i)=dx*(i-1);
alpa=k/rho/Cp;
d2Tdx2(i)=(T(i+1)-2*T(i)+T(i-1))/(dx^2);

ode(i)=alpa*(d2Tdx2(i)-(h/k/d*(T(i)-Ta)));
end
ode=ode';
Run Program :
Grafik antara waktu,posisi dan suhu
400

300

200
suhu,C

100

10

20

30 15
waktu,detik 5 10
0
posisi,cm
CASE 2
Liquid containing component A with a concentration of CAin is flowing through a cylindrical pipe having a radius of
B and a length of L. The flow is in laminar regime which velocity following
2
= 2 (1 ( )

From a certain position in a length direction, the pipe material consists of dissolvable component B. In the liquid
body, the component A react with B to form a product following first order reaction which responds to A and B.
The liquid near containing B pipe surface is always saturated with B. Please determine steady state concentration
of A and B in the following liquid.

Method of Line:
2 1
+ =0
2

2 1
+ =0
2

2 1
= [ + ]
2

2 1
= [ 2 + ]

r=0 r=R

i=1 (i-1) i (i+1) i=N+1

=
= ( 1)

+1 1
=
2

2 +1 22 + 1
=
2 2

For i=1
=0
=0
3 +42 3 +42
1 = 3
1 = 3

For i=N+1
(1) +4

=0 (+1) = 3
(+1) =

%CASE 2 (Mass Transfer & Reaction in Laminar Flow in a Cylindrical)

clear all
clc
% Data :
R=2; %cm
L=100; %cm
Vavg=2; %cm/s
Cain=0.1; %mol/L
Cbs=0.15; %mol/s
Da=0.01; %cm2/s
Db=0.012; %cm2/s
k=0.2; %L/mol/s
N=25; %ncrement
%nilai delta x
dr=R/N;
for i=2:N
Ca0(i)=Cain;
Cb0(i)=0;
end
C0=[Ca0';Cb0'];
z_span=[0 L];
[z,C] = ode15s(@ode_case2,z_span,C0,[],N,Cbs,dr,Vavg,R,Da,k,Db);

for i=2:N
Ca(:,i)=C(:,i);
Cb(:,i)=C(:,N+i);
end

Ca(:,1)=(-Ca(:,3)+4*Ca(:,2))/3;
Cb(:,1)=(-Cb(:,3)+4*Cb(:,2))/3;

Ca(:,N+1)=(-Ca(:,N-1)+4*Ca(:,N))/3;
Cb(:,N+1)=Cbs;

for i=1:N+1
r(i)=(i-1)*dr;
end

%membuat grafik hubungan antara z,r dan Ca

figure(1)
surf(z,r,Ca')
title('Ca profile')
xlabel('z position,cm')
ylabel('r position,cm')
zlabel('Ca,mole/cm^3')

%membuat grafik hubungan antara z,r,Cb

figure(2)
surf(z,r,Cb')
title('Cb profile')
xlabel('z position,cm')
ylabel('r position,cm')
zlabel('Cb,mole/cm^3')

function ode=ode_case2(z,C,N,Cbs,dr,Vavg,R,Da,k,Db)

for i=2:N
Ca(i)=C(i);
Cb(i)=C(N+i);
end
%nilai Ca1 dan Cb1
Ca(1)=(-Ca(3)+4*Ca(2))/3;
Cb(1)=(-Cb(3)+4*Cb(2))/3;

%nilai Ca(N+1) dan Cb(N+1)

Ca(N+1)=(-Ca(N-1)+4*Ca(N))/3;
Cb(N+1)=Cbs;

for i=2:N
r(i)=dr*(i-1);
Vz(i)=2*Vavg*(1-((r(i)/R)^2));

dCadr(i)=(Ca(i+1)-Ca(i-1))/2/dr;
d2Cadr2(i)=(Ca(i+1)-2*Ca(i)+Ca(i-1))/(dr^2);
odeA(i)=Da/Vz(i)*(d2Cadr2(i)+dCadr(i)/r(i)-k*Ca(i)*Cb(i)/Da);
 dCbdr(i)=(Cb(i+1)-Cb(i-1))/2/dr;
d2Cbdr2(i)=(Cb(i+1)-2*Cb(i)+Cb(i-1))/(dr^2);
odeB(i)=Db/Vz(i)*(d2Cbdr2(i)+dCbdr(i)/r(i)-k*Ca(i)*Cb(i)/Db);
end
ode=[odeA odeB]';

Run Program :
Ca profile

0.12

0.1
3

0.08
Ca,mole/cm

0.06

0.04

0.02
2

1.5 100
80
1
60
0.5 40
20
0 0
r position,cm
z position,cm

Cb profile

0.15

0.1
3
Cb,mole/cm

0.05

-0.05
2

1.5 100
80
1
60
0.5 40
20
0 0
r position,cm
z position,cm
CASE 3
A solution containing A is flowing down on a vertical solid surface due to gravitational effect that form a film with
a thickness of . The surface contains component B that is soluble in the solution. In the solution A reacts with B,
A+Bproduct with a rate of reaction (amount of A is assumed to be unlimited): -rA=k.CB (mole/time/volume)
The solution near the surface is always in saturation of B (CBS). Please determine the concentration distribution of
B in the solution at unsteady state condition. The flow pattern of the solution in y direction is following laminar
flow (x is distance from the solid surface)
2
= ( )
2
Method of Line :
2
= [ 2 ]

In x direction x=0 x=

i=1 (i-1) i (i+1) i=Nx+1

y=0 y=L
In y direction
j=1 (j-1) j (j+1) i=Ny+1

= ; = ( 1) = ; = ( 1)

(,) (,)
2 (,) (+1,) 2(,) + (1,)
=
2 2
(,) (,+1) (,1)
=
2
(,) (+1,) 2(,) + (1,) (,+1) (,1)
= [ ( ) ]
2 2 (,)
2 ; 2

At i=1 CB=CBS ; CB(1,j)=CBS

4( ,)
( 1,)
At i=Nx+1
= 0 ( +1,) = 3

At j=1 CB=0 ; CB(i,1)=0

4(, )
(, 1)
At j=Ny+1
= 0 (, +1) = 3
%CASE 3 (Mass Transfer & Reaction in a Falling Film)
clear all
clc
% Data :
Cbs=0.1; %m
Db=0.012; %cm2/s
miu=0.01; %g/cm/s
rho=1; %g/cc
delta=0.02; %cm
k=0.1; %1/s
g=9.8*100; %cm/s2
Cbin=0;
L=50; %cm

Nx=20; %increment of x
Ny=20; %increment of y

dx=delta/Nx;
dy=L/Ny;
% initital condition
Cb0=0;
%karena punya (Nx-1)*(Ny-1) ODES jadi
for j=2:Ny
for i=2:Nx
Cbcal0(i,j)=Cb0;
end
end

% initial condition for all ODE

ij=1; %ode number 1
%convert 2 coloum dimension into 1 coloumn dimension
for j=2:Ny
for i=2:Nx
Cb0calc(ij)=Cbcal0(i,j);
ij=ij+1; %start from ode number ij+1
end
end

% penyelesaian ODE
tspan=[0 100];
[t,Cbcalc]=ode15s(@ode_case3,tspan,Cb0calc,[],Ny,Nx,Cbs,Cbin,dx,rho,g,delta,miu,dy,Db
,k);

size(t)
size(Cbcalc)
ij=1;
for j=1:Ny+1
y(ij)=(j-1)*dy;
ij=ij+1;
end
ij=1;
for i=1:Nx+1
x(ij)=(j-1)*dy;
ij=ij+1;
end
size(x)
size(y)

Cbhit(1,2:Nx+1)=Cbin;
Cbhit(2:Ny+1,1)=Cbs;

ij=1;
%for k=1:length(t)
k=2;
for i=2:Ny
for j=2:Nx
Cbhit(i,j)=Cbcalc(k,ij)
ij=ij+1;
end
end
size(Cbhit)
%Definisi nilai IC untuk plot grafik

surf(x,y,Cbhit)
xlabel('posisi x')
ylabel('posisi y')
zlabel('Cb')

function ode=ode_case3(t,Cbcalc,Ny,Nx,Cbs,Cbin,dx,rho,g,delta,miu,dy,Db,k)

ij=1;
%convert 1 coloumn dimension into 2 coloumn dimension
for j=2:Ny
for i=2:Nx
Cb(i,j)=Cbcalc(ij);
ij=ij+1;
end
end

%define initial cb from boundary conditions

for j=2:Ny
Cb(1,j)=Cbs; %at i=1
Cb(Nx+1,j)=(4*Cb(Nx,j)-Cb(Nx-1,j))/3; %at i=Nx+1
end

for i=2:Nx
Cb(i,1)=Cbin; %at j=1
Cb(i,Ny+1)=(4*Cb(i,Ny)-Cb(i,Ny-1))/3; %at j=Ny+1
end

ij=1;
for j=2:Ny
for i=2:Nx
x=(i-1)*dx;
vy=(rho*g*delta/miu)*(x-x^2/(2*delta));
ddCbdx=(Cb(i+1,j)-2*Cb(i,j)+Cb(i-1,j))/dx^2;
dCbdy=(Cb(i,j+1)-Cb(i,j-1))/(2*dy);
ode(ij)=Db*ddCbdx-vy*dCbdy-k*Cb(i,j);
ij=ij+1;
end
end

ode=ode';

Run Program :

0.1

0.08

0.06
Cb

0.04

0.02

0
60

40

20 51
50.5
50
49.5
0
posisi y 49
posisi x
CASE 4
Heat Conduction and Mass Diffusion in Slab Catalyst

Method of Line :
2 1
( . )
= ( 2 ) ; =

2

= ( 2 + ( ) ) ; =
.
x=0 x=L

i=1 (i-1) i (i+1) i=N+1

= ; = ( 1)

2
(+1) 2() + (1)
=
2 2
2
(+1) 2() + (1)
=
2 2

At point i
(+1) 2() + (1)
= (( ) )
2
(+1) 2() + (1)
= (( 2 ) + ( ) ) ;2

At point i=1
= 0 ()


= 0 ()
42 3
1 =
3
42 3
1 =
3

At point i=N+1
CN+1=CAS
TN+1=Tf

% Case 4 : Heat Conduction and Mass Diffusion in Slab Catalyst

% d2CA/dx2-kr/De*CA=eps/De*dCA/dt
% kr = A*exp^(-E/R/T)
% d2T/dx2+kr/k(-deltaHr)CA=k/(rho*Cp)*dT/dt

clear all
clc
global De delta eps rho Cp deltaHr k A E R T0 Tf CAs N dx

% Data-data yang diketahui

De = 0.015;
delta = 0.5; % cm, ketebalan 2L=1cm
eps = 0.5 ; % porositas katalis
rho = 1;
Cp = 20 ; % joule/mole
deltaHr = 15000; % joule/mole (eksotermis)
k = 0.1 ; %konduktivitas
A = 400; % faktor tumbukan
E = 5000; % energi aktivasi
R = 8.314 ; % joule/mole
T0 = 303 ; % K
Tf = 353 ; % K
CAs = 0.5 ; %konsentrasi di surface katalis
N = 20 ;

dx = delta/N;

% Initial Condition
for i=2:N
CA0(i)=0;
T0(i)=303;
end

D0=[CA0 T0]
tspan=[0 100]

% Penyelesaian ODE dengan ode15s

[t,D]=ode15s(@ode_func4,tspan,D0)

for i=2:N
CA(:,i)=D(:,i);
T(:,i)=D(:,N+i);
end

CA(:,1)=(-CA(:,3)+4*CA(:,2))/3;
CA(:,N+1)=CAs;
T(:,1)=(-T(:,3)+4*T(:,2))/3;
T(:,N+1)=Tf;

for i=1:N+1
x(i)=(i-1)*dx
end

figure (1)
surf (t,x,CA')
title ('CA Profile')
xlabel ('time,minute')
ylabel ('thickness,cm')
zlabel ('concentration of A,mole/cm^3')

figure (2)
surf (t,x,T')
title ('T Profile')
xlabel ('time,minute')
ylabel ('thickness,cm')
zlabel ('temperature,K')

function ode=ode_func4(t,D)
global De delta eps rho Cp deltaHr k A E R T0 Tf CAs N dx

for i=2:N
CA(i)=D(i);
T(i)=D(N+i);
end

CA(1)=(-CA(3)+4*CA(2))/3;
CA(N+1)=CAs;

T(1)=(-T(3)+4*T(2))/3;
T(N+1)=Tf;
for i=2:N
kr(i) = A*exp(-E/R/T(i));
x(i)=(i-1)*dx;

ddCAdx2(i)=(CA(i+1)-2*CA(i)+CA(i-1))/dx^2;
odeCA1(i)=ddCAdx2(i)-kr(i)/De*CA(i);
odeCA(i)=De/eps*odeCA1(i);

ddTdx2(i)=(T(i+1)-2*T(i)+T(i-1))/dx^2;
odeT1(i)=ddTdx2(i)-kr(i)/k*(-deltaHr)*CA(i);
odeT(i)=k/(rho*Cp)*odeT1(i);

end
ode=[odeCA odeT]';

Run Program :
CA Profile

0.6

0.5
3

0.4
concentration of A,mole/cm

0.3

0.2

0.1

0
100

-0.1
50
0.5
0.4
0.3
0.2
0.1 0
0
time,minute
thickness,cm
 T Profile

1600

1400

1200
temperature,K

1000

800

600

0.8
400
0.6

200 0.4
0
20 0.2
40
60
80 0
100 thickness,cm

time,minute