C.

Problem Statement
The catalytic oxidation of 1,2dichloroethane (DCE) over palladium
supported on
alumina can be described by the following reactions:
C2H4Cl2 C2H3Cl + HCl
(R1)
C2H3Cl + 1.5O2 2CO + HCl + H2O
(R2)
C2H3Cl + 2.5O2 2CO2 + HCl + H2O
(R3)
CO + 0.5O2 CO2
(R4)
2HCl + 0.5O2H2O + Cl2
(R5)
The reaction rate constants are of the Arrhenius type.
The reaction rate expressions are zero order with respect to oxygen
except for the fifth
reaction and first order with respect to the other reactant. Reaction 5 is
second order with
respect to HCl.
The reaction takes place at atmospheric pressure.
Diameter of stainless steel tube is 12mm.
3

6
The flow rate of air is set to 8.33 10 m sec

Bulk catalyst density is 425 kg/m

The inlet DCE concentration is 990 ppm and temperature 300 C.
Neglect pressure drop.
Effect of temperature should be taken into account when evaluating
thermo physical properties.

D.Problem Analysis
D1. Given Data
1

Table 1. The data for the values of preexponential factor ( AO ) and the activation energy ( Ea )
Reaction Number

ln AO , mol
sec.kg .Pa

Ea , kj
mol

R1
R2
R3
R4
R5

-5.3
-8.9
15.5
9.8
-20.2

61.3
52.2
163.0
108.2
37.7

Table2. Operating Conditions

Pressure (Pa)
Initial Temprature
Flow rate of air

101325
300 C
8.33 106 m

sec
990 ppm 990 g 3
m
12mm
425 kg 3
m

Inlet DCE Concentration

Diameter of stainless steel tube
Bulk catalyst density

D2. Unknown Data

Table3. The Required Unknown Values
Molecular weight of DCE(1,2
Dichloroethane)

R j
mol.K
Excess Oxygen Amount (%)

98.96 g

mol [1]
8.314 [2]
100%

Table4. The Standard Heats of Formation Values of each species [3].

Species

H j

DCE
VC
CO
CO2
HCl
Cl2

-11.226
2.845
-11.053
-39.351
-9.231
0

kmol

) 10

O2
H20

0
-24.1814

Table5. The Constant Values for Heat Capacity Calculation of each species [3].
Species

DCE
VC
CO
CO2
HCl
Cl2
O2
H20

( j kmol.K )

105
0.4568
0.4236
0.2911
0.2937
0.2916
0.2914
0.291
0.3336

( j kmol.K ) 10 c ( j kmol.K ) 10 d ( j kmol.K ) 10 e ( j kmol.K )

1.2967
0.8735
0.0877
0.3454
0.0905
0.0918
0.1004
0.2679

1.5992
1.6492
3.0851
1.428
2.0938
0.949
2.5265
2.6105

D.3 What will be obtained?

W1 : required catalyst weight for 30% DCE conversion
W2 : required catalyst weight for 60% DCE conversion
W3 : required catalyst weight for 80% DCE conversion
V1 : volume of reactor for 30% DCE conversion
V2 : volume of reactor for 60% DCE conversion
V3 : volume of reactor for 80% DCE conversion
dT
: Temperature profile along the reactor
dz
dFi
: Flow rate profiles of each species along the reactor
dz

E. Solution

0.859
0.6556
0.0846
0.264
-0.0011
0.1003
0.0936
0.0890

708.8
739.07
1538.2
588
120
425
1153.8
1169

E. 1 Model Derivation and Presentation

In this study, the catalytic oxidation reaction of 1,2 dichloroethane (DCE) takes place
over palladium supported alumina in a fixed bed reactor. Therefore, the fixed bed reactor design
equation is used. The design equation for fixed bed reactor is expressed by (E.1) [2] ;
dFi
= ri ........................................................................................................(E.1)
dW
Based on the reaction mechanism given in the problem statement, the reaction rates of
the five simultaneous reactions are represented by the equations (E.1-E.6) [2];
P
R1 = k1 PDCE = A01 exp Ea1
DCE ...................................................(E.2)
RT

Ea2
P
R 2 = k2 PVC = A02 exp
VC .....................................................(E.3)
RT

Ea3
P
R3 = k3 PVC = A03 exp
RT VC ......................................................(E.4)

Ea4
P
R 4 = k4 PCO = A04 exp
RT CO .....................................................(E.5)

Ea5
P 2
R5 = k5 PHCl 2 = A0 5 exp
HCl .................................................(E.6)
RT

In the first four reactions, the reaction is zero order with respect to O2 but it is not in fifth
reaction in problem statement. However, reaction rate of the fifth reaction can be written by
(E.6) due to the assumption of large excess of O2.
The values of the reaction constants can be found with the help of the Arrhenius Equation
which is expressed by the equation (E.7) [2];
k = AO exp

Ea

RT ....................................................................................(E.7)

From these rate equations, the decomposition and formation rate of each component in
the reaction scheme can be calculated by applying mole balance for each component. They are
illustrated by the following equations below;
dF
dW

= ij ( rij ) ....................................................................................................(E.8)

 The decomposition and formation rate of each component can be calculated from the
equations(E.9 E.16) [2] ;

dFDCE
= R1 = k1 PDCE .................................................................................................(E.9)
dW

dFVC
= R1 R 2 R3 = (k1 PDCE ) ( k 2 PVC ) ( k 3 PVC ) .................................(E.10)
dW
dFCO
= 2 R 2 R 4 = (2k 2 PVC ) ( k 4 PCO ) ....................................................................(E.11)
dW
dFCO 2
dW

= R3 + R 4 = (k 3 PVC ) + ( k 4 PCO ) .......................................................................(E.12)

dFHCl
2
= R1 + R 2 + R3 R5 = (k1 PDCE ) + ( k 2 PVC ) + ( k 3 PVC ) k 5 PHCl ...............(E.13)
dW

dFCl 2
2
= R5 = k 5 PHCl ..................................................................................................(E.14)
dW

dFO2

3
5
1
1
3
5
1
1
2
= R 2 R3 R 4 R5 = ( k 2 PVC ) ( k 3 PVC ) ( k 4 PCO ) k 5 PH Cl .........(E.15)
dW
2
2
2
4
2
2
2
4

dFH 2O
dW

= R 2 + R3 + R5 = ( k 2 PVC ) + ( k 3 PVC ) + k 5 PHCl ..............................................(E.16)

2

The partial pressures of each components which are included in above rate equations
can be determined by the equation (E.18):
Pj=(mol fraction of species j) (total pressure)
Fj

Pj =
P .................................................................................................................(E.18)
FT

If the partial pressure expressions for each species are substituted in the rate equations
above, the following rate expressions (E.19 - E.26)of each species in the reaction
mechanism are obtained:

 FDCE

dFDCE

= k1

P
F
.....................................................................................(E.19)
dW
T

dFVC
= k1 DCE P k 2 VC P k 3 VC P ...............................................(E.20)
dW
FT

FT

FT

dFCO
= 2k 2 VC P k 4 CO P .................................................................(E.21)
dW
FT

FT

dFCO 2

= k 3 VC P + k 4 CO P ......................................................................(E.22)
dW
FT

FT

dFH C l
= k1 D C E P + k 2 VC P + k 3 V C P k 3 V C P ........................(E.23)
dW
FT

FT

FT

FT

dFCl 2
F

= k 5 HCl P ....................................................................................................(E.24)
dW
FT

F
5
F
1
F
1
F

3
= k 2 VC P k 3 VC P k 4 CO P k 5 HCl P .................(E.25)
dW
2
FT
2
FT
2
FT
4
FT

dFO2

= k 2 VC P + k 3 VC P + k 5 HCl P .................................................(E.26)
dW
FT

FT

FT

dFH 2O

If we make the energy balance through the reactor for adiabatic system, the following
equation (E.27) can be found for the temperature change according to the catalyst weight
[2];
dT ( H rxn,i ) ( ri )
=
..................................................................................................(E.27)
dW
F j cp j

If the equation (E.27) is expanded by substituting all the heat of reaction of five simultenous
reactions, the equation (E.28) is obtained as shown below :
dT
= [(-Hrxn1 )(-R1) +(-Hrxn2 )(-R2) +(-Hrxn3 )(-R3) +(-Hrxn4 )(-R4) +(-Hrxn5 )(-R5) ] / [FA
dW
cPA + FB cPB + FC cPC + FD cPD + FE cPE + FF cPF + FG cPG + FH cPH ]...........................(E.28)

 Heat of reaction at temperature T which is represented by H rxn (T) can be calculated from
the following expression (E.29) [2];
H rxn (T) = Enthalpies of products Enthalpies of reactants...........................................(E.29)
The values of heat of reaction at temperature T are calculated by substracting the enthalpies of
reactants from those of the products :
H rxn 1 = H5+H2H1......................................................................................................... (E.30)
H rxn 2 = H8+H5+2H31.5H7-H2 .................................................................................... (E.31)
H rxn 3 = H8+H5+2H42.5H7H2 .................................................................................... (E.32)
H rxn 4 = H40.5H7H3 ................................................................................................... (E.33)
H rxn 5 = 0.5H6+0.5H8 0.25H7H5 ................................................................................ (E.34)
Table 6. The Boiling Point of Species [1].
Species
DCE
VC
CO
CO2
HCl
Cl2
O2
H2O

Boiling Point (K)

357
260
81
195
321
239.11
90
373

The enthalpies can be determined from the following equation (E.35) for DCE, HCl and
H2O due to the fact that a phase change occurs according to their boiling points in Table 6.
[2];
T

Hi = Hi (TR) +

cPi dt......................................................................................................(E.35)

TR

Hi : enthalpy of species i
Hi (TR) : enthalpy of species i at reference temperature
cPi : heat capacity of species i
The enthalpies of each species can be determined from the following equation (E.36) for
VC,CO,CO2, Cl2and O2 due to the fact that a phase change does not occur according to
their boiling points in Table 6.
T

Hi = cPi dt........................................................................................................................(E.36)
TR

Heat capacity of each component in reaction scheme [3]:

Cpi = ai + bi T + ci T2 + di T3 + ei T4 ...................................................................................(E.37)
The constants which are tabulated in Table 5 are used in order to determine the heat capacity
values for each component dependent on the temperature. Therefore, after the calculation of cp
for components, the enthalpies are determined by taking integral in the equations(E.35) and
(E.36). The enthalpies at reference temperature at 298K given in Table 4 are used. So, the heat
of reaction values can be found by using (E.35) and (E.36).
Sample Calculation
The initial flow rate of 1,2 dichloroethane (DCE) can be calculated by using constant initial
volumetric flow rate and initial concenration of DCE.
MWDCE = 98.96 g

mol

FDCE0 = C DCE0 V0
CDCE0 = 990 ppm = 990 mg
V0 = 8.33 106 m
FDCE0 = 990

= 990 g

m3

sec

3
g
mol
6 m
The flow rate of DCE for

8.33

10

= 8.34 10 5 mol
3
sec
m
sec 98.96 g
30% conversion can be

found by the following expression;

FDCE = FDCE 0 (1 x)

FDCE = 8.34 105 mol

FDCE = 5.84 105 mol

sec

) (1 0.3)

sec

The initial required flow rate of O2 is determined;

101325 Pa
= 21.27 mol 3
m
Pa.m3
8.314
573K
mol.K
3
Fair = Cair V0 = 21.27 mol 3 8.33 106 m
sec
m
Fair = 0.00018 mol
sec
0.21
F02 = 0.00018 mol

= 5 105 mol
sec 0.79
sec

Cair0 =

(
(

P
=
RT0

)
)

) (

If 100% excess O2 fed to the reactor,

the flow rate of O2 fed is found as;

F02 ,excess = 2.0 5 105 mol

sec

) = 0.0001mol sec

The volume and the length of the reactor can be calculated after determination of catalyst
weight by the following calculations;
For instance, for 30%conversion ;
x = 0.30 W = 0.1510-6 kg
The volume and lenght of the reactor can be found from;
W 0.15 106 kg
V=
=
= 3.53 1010 m3 = 0.035310-5 L
B
425 kg 3
m
d p = 12mm = 0.012m
L=

V
V
=
Cross.sec. Area d p 2

=
4

3.53 1010 m3
( 0.012 )

= 3.12 106

(m 2 )

L = 3.12 m
E2. Algorithm
MATLAB was used for calculations of the reactor model. There are differential
equations so ode solver was used in this project. The function was named as reactor. The
independent variable W catalyst weight and dependent variableF flow rate were defined in
this function.
All constant and operating condition values such as total pressure, initial volumetric
flow rate, preexponential factors, activation energies, ideal gas constant, standard heats of
formation at reference temperature and heat capacity constants(a,b,c,d,e) were loaded in to the
matlab code.
First of all, reaction rate constant equations dependent on temperature were inserted.
The constants preexponential factors and activation energies included in these equations were
set at the begining. Then, the equations of heat capacity, enthalpy of species and rate of
reaction which are all dependent on temperature

were inserted to the matlab code. The

constants required for them standard heats of formation at reference temperature and heat
capacity constants(a,b,c,d,e) were also set at the begining of the code.

Finally, the differential equations containing flow rates of each species and temperature
were loaded. When these differential equations solved by ode solver, by increasing the
catalyst weight value in a certain scale, the flow rate values of each species and temperature
were obtained by the program.
At the end, the flow rates of each species and temperature versus weight,volume and
lenght were plotted with the help of the plot function.
E3. Computer Application
function dF= reactor(W,F)
dF=zeros(9,1);
P=101325; %pa
%TR=298;
A1=exp(-5.3); %mol/(s*kg*Pa)
A2=exp(-8.9); %mol/(s*kg*Pa)
A3=exp(15.5); %mol/(s*kg*Pa)
A4=exp(9.8); %mol/(s*kg*Pa)
A5=exp(-20.2); %mol/(s*kg*Pa)
E1=61.3; %kJ/mol
E2=52.2; %kJ/mol
E3=163; %kJ/mol
E4=108.2; %kJ/mol
E5=37.7; %kJ/mol
R=8.314*(10^3); %mol/kJ*K
k1=A1*exp(-E1/(R*F(9)));
k2=A2*exp(-E2/(R*F(9)));
k3=A3*exp(-E3/(R*F(9)));
k4=A4*exp(-E4/(R*F(9)));
k5=A5*exp(-E5/(R*F(9)));
v=8.33*(10^-6); %m^3/s
% (1) DCE
% (2) VC
% (3) CO
% (4) CO2
% (5) HCl
% (6) Cl2
% (7) O2
% (8) H2O
% (9) Temperature
%the standard heats of formation of DCE, HCl and H2O at 298K
HT1=(-125.4);
HT5=-92.31;
HT8=-241.814;
% heat capacity constants (a,b,c,d,e)
a1=0.4568*(10^-1);

10

a2=0.4236*(10^-1);
a3=0.2911*(10^-1);
a4=0.2937*(10^-1);
a5=0.2916*(10^-1);
a6=0.2914*(10^-1);
a7=0.291*(10^-1);
a8=0.3336*(10^-1);
b1=1.2967*(10^-1);
b2=0.8735*(10^-1);
b3=0.0877*(10^-1);
b4=0.3454*(10^-1);
b5=0.0905*(10^-1);
b6=0.0918*(10^-1);
b7=0.1004*(10^-1);
b8=0.2679*(10^-1);
c1=1.5992*(10^-3);
c2=1.6492*(10^-3);
c3=3.0851*(10^-3);
c4=1.428*(10^-3);
c5=2.0938*(10^-3);
c6=0.949*(10^-3);
c7=2.5265*(10^-3);
c8=2.6105*(10^-3);
d1=0.859*(10^-1);
d2=0.6556*(10^-1);
d3=0.0846*(10^-1);
d4=0.264*(10^-1);
d5=-0.0011*(10^-1);
d6=0.1003*(10^-1);
d7=0.0936*(10^-1);
d8=0.0890*(10^-1);
e1=708.8*(10^-6);
e2=739.07*(10^-6);
e3=1538.2*(10^-6);
e4=588*(10^-6);
e5=120*(10^-6);
e6=425*(10^-6);
e7=1153.8*(10^-6);
e8=1169*(10^-6);
% heat capacity values of each species
CpTR1=((a1+(b1*(298^2)*0.5)+(0.6667*c1*(298^3))+(0.25*d1*(298^4))+(0.2*e1*(298^5))));
CpTR2=((a2+(b2*(298^2)*0.5)+(0.6667*c2*(298^3))+(0.25*d2*(298^4))+(0.2*e2*(298^5))));
CpTR3=((a3+(b3*(298^2)*0.5)+(0.6667*c3*(298^3))+(0.25*d3*(298^4))+(0.2*e3*(298^5))));
CpTR4=((a4+(b4*(298^2)*0.5)+(0.6667*c4*(298^3))+(0.25*d4*(298^4))+(0.2*e4*(298^5))));
CpTR5=((a5+(b5*(298^2)*0.5)+(0.6667*c5*(298^3))+(0.25*d5*(298^4))+(0.2*e5*(298^5))));
CpTR6=((a6+(b6*(298^2)*0.5)+(0.6667*c6*(298^3))+(0.25*d6*(298^4))+(0.2*e6*(298^5))));
CpTR7=((a7+(b7*(298^2)*0.5)+(0.6667*c7*(298^3))+(0.25*d7*(298^4))+(0.2*e7*(298^5))));
CpTR8=((a8+(b8*(298^2)*0.5)+(0.6667*c8*(298^3))+(0.25*d8*(298^4))+(0.2*e8*(298^5))));
CpT1=(a1+(b1*(F(9)^2)*0.5)+(0.6667*c1*(F(9)^3))+(0.25*d1*(F(9)^4))+(0.2*e1*(F(9)^5)));
CpT2=(a2+(b2*(F(9)^2)*0.5)+(0.6667*c2*(F(9)^3))+(0.25*d2*(F(9)^4))+(0.2*e2*(F(9)^5)));
CpT3=(a3+(b3*(F(9)^2)*0.5)+(0.6667*c3*(F(9)^3))+(0.25*d3*(F(9)^4))+(0.2*e3*(F(9)^5)));
CpT4=(a4+(b4*(F(9)^2)*0.5)+(0.6667*c4*(F(9)^3))+(0.25*d4*(F(9)^4))+(0.2*e4*(F(9)^5)));
CpT5=(a5+(b5*(F(9)^2)*0.5)+(0.6667*c5*(F(9)^3))+(0.25*d5*(F(9)^4))+(0.2*e5*(F(9)^5)));
CpT6=(a6+(b6*(F(9)^2)*0.5)+(0.6667*c6*(F(9)^3))+(0.25*d6*(F(9)^4))+(0.2*e6*(F(9)^5)));

11

CpT7=(a7+(b7*(F(9)^2)*0.5)+(0.6667*c7*(F(9)^3))+(0.25*d7*(F(9)^4))+(0.2*e7*(F(9)^5)));
CpT8=(a8+(b8*(F(9)^2)*0.5)+(0.6667*c8*(F(9)^3))+(0.25*d8*(F(9)^4))+(0.2*e8*(F(9)^5)));
Cp1=CpT1-CpTR1;
Cp2=CpT2-CpTR2;
Cp3=CpT3-CpTR3;
Cp4=CpT4-CpTR4;
Cp5=CpT5-CpTR5;
Cp6=CpT6-CpTR6;
Cp7=CpT7-CpTR7;
Cp8=CpT8-CpTR8;
%Enthalpies of each speacies
H1=HT1+Cp1;
H2=Cp2;
H3=Cp3;
H4=Cp4;
H5=HT5+Cp5;
H6=Cp6;
H7=Cp7;
H8=HT8+Cp8;
%Heats of reaction at temperature T
DelRxn1=H5+H2-H1;
DelRxn2=H8+H5+2*H3-1.5*H7-H2;
DelRxn3=H8+H5+2*H4-2.5*H7-H2;
DelRxn4=H4-0.5*H7-H3;
DelRxn5=0.5*H6+0.5*H8-0.25*H7-H5;
% mole balance for each species
FT=(F(1)+F(2)+F(3)+F(4)+F(5)+F(6)+F(7)+F(8));
dF(1)=(-k1*(F(1)/FT))*P;
dF(2)=(k1*(F(1)/FT)-k2*(F(2)/FT)-k3*(F(2)/FT))*P;
dF(3)=(2*k2*(F(2)/FT)-k4*(F(3)/FT))*P;
dF(4)=(2*k3*(F(2)/FT)+k4*(F(3)/FT))*P;
dF(5)=((k1*(F(1)/FT))*P)+((k2*(F(2)/FT))*P)+((k3*(F(2)/FT))*P)-((k5*((F(5)/FT)^2))*(P^2));
dF(6)=(0.5*k5*((F(5)/FT)^2))*(P^2);
dF(7)=((-1.5*k2*(F(2)/FT))*P)-((2.5*k3*(F(2)/FT))*P)-((0.5*k4*(F(3)/FT))*P)-(0.25*k5*(((F(5)/FT)*P)^2));
dF(8)=(k2*(F(2)/FT)*P)+(k3*(F(2)/FT)*P)+(k5*0.5*((P*(F(5)/FT))^2));
dF(9)=(((-DelRxn1)*((k1*(F(1)/FT))*P))+((-DelRxn2)*((k2*(F(2)/FT)*P)))+((-DelRxn3)*((k3*(F(2)/FT)*P)))+
((-DelRxn4)*((k4*P*(F(3)/FT))))+((-DelRxn5)*(((k5*((F(5)/FT)^2))*(P^2)))))/((F(1)*CpT1)+(F(2)*CpT2)+
(F(3)*CpT3)+(F(4)*CpT4)+(F(5)*CpT5)+(F(6)*CpT6)+(F(7)*CpT7)+(F(8)*CpT8));

F.

Results and Discussion

F.1

Graphs and Tables

12

The graphs of weight and volume change with the DCE flow rate and flow rate of
species and temperature profiles along the reactor are represented in Figures (1-8).

13

Figure1 . The flow rate of FDCE versus catalyst weight

14

15

Figure2 . The flow rate of FDCE versus volume

16

Figure 3. The flow rates of HCl, CO2, H2O and DCE along the reactor lenght

Figure 4. The flow rate of VC along the reactor lenght.

17

Figure 5. The flow rate of CO along the reactor lenght

Figure 6. The flow rate of Cl2 along the reactor lenght

18

Figure 7. The flow rate of O2 along the reactor lenght

Figure 8. Temperature Profile along the reactor lenght

19

F.2 Final Results

The catalyst weight and the volume of the reactor values are determined from Figure 1
and Figure 2. According to Figure 1, the catalyst weight values corresponding to the
unconverted value of DCE are readed for 30%,60% and 80% conversions. Similarly, the reactor
volume values corresponding to the unconverted value of DCE are readed for 30%,60% and
80% conversions from Figure 2. The final results of catalyst weight and reactor valume are
tabulated in Table 7.
Table 7. Final results of catalyst weight and reactor valume for 30%,60%,80%
conversions
Conversion (%)
30
60
80

Catalyst Weight (kg)

0.1510-6
0.4210-6
0.76510-6

Volume of the reactor(L)

0.3510-6
0.9310-6
1.810-6

F.3 Discussion
In this computational project, the catalytic oxidation of 1,2 dichloroethane over
palladium supported on alumina taking place by a reaction mechanism including five
simultaneous reactions is studied. The aim of this project is to obtain the catalyst weight and
volume values for three different 30%, 60% and 80% conversions. Moreover, it is aimed to
observe the flow rates of each species included in the reaction scheme and temperature profiles
along the reactor lenght.
According to the results stated in Table 7, it can be seen that this values are belong to a
laboratory scale study due to very small amount of catalyst weight and reactor volume. These
results can show us that this oxidation reaction can occur in a micro reactor. The catalyst weight
amounts are increasing when the conversion is increased. Because, the requirement of catalyst
is increasing when more DCE is converted. Therefore, when more catalyst is used for reaction
mechanism occurance, larger volume of catalyst is needed.
Based on the Figure 3, the flow rates of HCl, CO2, H2O and DCE along the reactor lenght
were plotted. The flow rates of other components of VC, CO,Cl2, O2 along the reactor could not
be drawn in the same figure due to their different scale. Hence, The flow rates of other
components of VC, CO,Cl2, O2 along the reactor lenght were shown figures (4 -7).
According to Figure 3, the flow rate of DCE is decreasing due to disappearance of DCE
during the reactions. The flow rate of HCl along reactor is first increasing and then starting to
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decrease since accarding to reaction mechanism, HCl is first produced in R1,R2 and R3 but
then HCl is consuming in R5. The flow rate of CO2 through reactor is firstly increasing and then
staying constant along the reactor lenght. Because, according to the reaction mechanism, the
CO2 is produced during R3 and R4 but then it is not consumed in any reaction so its profile is
first inceasing ,then staying contant. The flow rate of H2O is firstly increasing sharply and then
going on increasing slowly. Because, according to the mechanism scheme, the H2O is produced
during reactions R2 and R3 and then it is going to be produced in R5. So, it is profile like that.
According to Figure 4, the flow rate of VC is increasing very sharply in a moment so in
the graph it is not seen clearly due to scale of graph but then it is decreasing slightly. This
profile of VC flow rate is observed since VC is first produced in R1 probably fastly and then it
starts to be consumed in R2 and R3.
From Figure 5, similarly to VC profile, the flow rate of CO is increasing very sharply in a
moment so in the graph it is not seen clearly due to scale of graph but then it is decreasing
slightly. This profile of CO flow rate is observed because CO is first produced in R2 probably
fastly and then it starts to be consumed in R4.
From Figure 6, the flow rate of Cl2 is increasing through the reactor lenght due to being
produced in R5. In the graph, it si not clearly seen due scale but its value will be going to
increase and then it will stay constant in a certain reactor lenght.
From Figure 7, the flow rate of O2 is firstly decreasing sharply through the reactor
lenght and then going to decrease slightly. This profile of O2 flow rate is due to being
consumed in R2, R3, R4, R5.
Based on Figure 8, the temperature profile through the reactor lenght is observed.
Temperature is increasing from 573K to 573.58 K until the DCE is converted competely due to
exothermic oxidation reaction.Then, it is decreasing very slightly and stay constant after the
complete conversion of DCE. The reason of very small increase in temperature can be result
from a fast reaction or very small scale reactor(micro reactor).

G. Conclusion

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In this study, the catalytic oxidation of 1,2 dichloroethane over palladium supported on
alumina taking place by a reaction mechanism including five simultaneous reactions was
studied. In this project, for 30%,60% and 80% conversions of DCE component, the catalyst
weight values were found as 0.1510-6kg, 0.4210-6 kg and 0.76510-6kg respectively. The
volume are found as 0.3510-6L, 0.9310-6L and 1.810-6L ,respectively. The values of catalyst
weight and reactor volume are very small due to studing in laboratory scale or even in a micro
reactor.
According to figures of component flow rate profiles along the reactor lenght, it was
seen that all flow rate profiles were consistent with the reaction mechanism. Moreover, in this
exothermic reaction, the temperature increases up to the reactants consumed in the system and
then slightly decrease in temperature was observed.
H. References
[1] en.wikipedia.org/wiki/1,2-Dichloroethane, 30.04. 2008, 15.30 pm.
[2] Fogler, H. S., Elements of Chemical Reaction Engineering, Prentice-Hall International,
Inc. , New

Jersey (1999).

[3] Perry R.H. , Green D.W., Perrys Chemical Engineers Handbook, Mc-GrawHill,
seventh edition, (1997)

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