Simulation of A CSTR Model For Thevetia Peruviana Oil Transesterification in The PDF

International Journal of Advanced Research in Engineering and Technology (IJARET), ISSN 0976
6480(Print), ISSN 0976 6499(Online) Volume 5, Issue 8, August (2014), pp. 10-22 IAEME
10

SIMULATION OF A CSTR MODEL FOR THEVETIA PERUVIANA OIL
TRANSESTERIFICATION IN THE PRODUCTION OF BIODIESEL

Olatunji, O. M., Ayotamuno, M. J.

1
Department of Agricultural and Environmental Engineering
Rivers State University of Science and Technology, PMB 5080, Port Harcourt, Nigeria

ABSTRACT

In this research work, a mathematical model was simulated for Continuous Stirred Tank
Reactor (CSTR) as an extension of the work of Abowei et al., (2013) exploiting the
transesterification kinetic of Olatunji et. al., (2012) at an isothermal condition. The Kinetic model of
Olatunji et. al., (2012) was obtained through laboratory experiment on which ester was produced
using alcohol to oil molar ratios of 6:1, 9:1 and 12:1 at isothermal reaction temperature of 50
o
C. The
simulated model equations was able show reactor dimensions as a function of Olatunji et. al., (2012)
kinetic parameters. The model equations were further analyzed with MATLAB programming
technique, and results obtained for reactor dimensions can be used to predict the volume to be
produced at different time intervals and reaction rate which demonstrated high dependency
functionality of Olatunji et. al., (2012) proposed kinetic model parameters.

Keywords: Model Simulation, Continuous Stirred Tank Reactor (CSTR), Thevetia peruviana,
Transesterification, Biodiesel Production.

INTRODUCTION

In the process of searching for an alternative energy sources, a special attention is focused on
the Chemical Kinetics of Milk bush (Thevetia peruviana) oil transesterification process in the
production of biodiesel (Olatunji et. al.,2013). From the work of Olatunji et. al., (2012) the reaction
kinetics of esters was proposed as follows:

INTERNATIONAL JOURNAL OF ADVANCED RESEARCH
IN ENGINEERING AND TECHNOLOGY (IJARET)

ISSN 0976 - 6480 (Print)
ISSN 0976 - 6499 (Online)
Volume 5, Issue 8, August (2014), pp. 10-22
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1
Where,
C
TG
= Concentration of Triglyceride
C
A
= Concentration of Alcohol
C
DG
= Concentration of Diglyceride
K = Rate Constant.
But,
K
1
C
A
= K
1

2

Where,

K
1
= effective rate constant
C
E
= concentration of Ester

In order to find a solution to equation (6) there is need to express C
D
and C
E
as a function of
time. At the initial period when the reaction start to the final period (ie. time t
i
to t
f
, t
i
= 0 and t
f
=
t
DG1
). The diglyceride concentration was increased and then decreased.
Applying the equation proposed by Fogler (Fogler, 1999).
The suggested formula for this type of change in concentration is composed of two
exponential terms.

3

Where,

1
,
2
and
3
are constants

t = time

4

Where,

C
DGO
= Initial concentration of Diglyceride

After the final period, ie. t
f
= t
dg1
, diglyceride concentration went below its initial value,
hence, equation (8) cannot be used to predict the final concentration of Diglyceride at this period.
Therefore equation 8 may be written as equation 9.

5

12

Also,

6

Substituting equation (9) and (10) into equation 6, taking the Laplace of the new equation
developed; also by applying the partial fraction technique, and taking the inverse Laplace of the final
equation.
C
TG
, C
DG
, and C
MG
final equations were developed.

(7)
13

Where,
K = rate constants

The final concentration of Diglyceride, Monoglyceride, Ester (Biodiesel) and Glycerol were
derived in the same manner.
Where,
i
,
i
,
i
, are constants derived from Foglers equation to calculate the change in
concentration of Tri, Di, Mono glycerides, Ester and glycerol.
These constants are determined using initial guess values. From Linear Regression method
using MATLAB programming which was written to validate the model.
The aspect of modelling reactor functional parameters for large scale production of ester using the
proposed Chemical Kinetic expression need to be proposed.

MATERIALS AND METHODS

The reaction mechanism demonstrated Isothermal Characteristics and the resulting design
equation for a Continuous Stirred Tank Reactor (CSTR) is described as:

8

For CSTR operating in Isothermal Condition is given:

10
Where,

Considering the Cylinder shape of the reactor type, thus:

2

11

Where,

= Volume of the CSTR;
= Rate Constants
= Space velocity

Determination of the Length, of the CSTR

12

Similarly, in order to establish the performance levels of the reactor, space time and space velocity
are vital ingredients and developed as thus,

13
14

Where,
= Space time (sec)

From equation 13

14

Where
= Volumetric flow of the reacting substance in the vein.

15

Hence,

16

Therefore,

17

Heat generated per unit volume,

18

To determine the heat generation per unit volume of CSTR Reactor , both sides of equation
18 above is divided by
19

Therefore,

20

21

RESULTS AND DISCUSSIONS

Process optimization
The objective of this study was to optimize the conditions for transesterification of Milk bush
(Thevetia peruviana) oil for higher ester yield. The effects of catalyst concentration, reaction
temperature, and alcohol-to-oil molar ratio were included in this study. Stirring speed of all
experiments was fixed at 600 rpm. Table 1.0 summarized the effects of catalyst concentration,
reaction temperature, and alcohol-to-oil molar ratio in terms of conversion.

15

Effect of catalyst loading
The catalyst loading (KOH) was varied from 0.5 to 1.5 wt.% in this study. The reaction
temperature was maintained at 50
o
C. The experimental results shows similar trend with the
calculated results which shows that there was an increase in ester concentrations with catalyst
loading. This is a typical observation which agrees with the findings of Zhous et al. (2003).
However, the rate of the increase in ester concentration dropped when catalyst concentration was
increased beyond 1 wt. %. In addition, the conversion increased as catalyst concentration increased.
Potassium Hydroxide ions react with the methanol molecule to produce methoxide ions, and the rate
of reaction increased when hydroxide concentration was increased.

Table 1.0: The percentage conversion of alkali-catalyzed transesterification of Milk bush oil

Effect of alcohol-to-oil molar ratio
The effect of alcohol to oil molar ratio (6:1, 9:1, and 12:1) on ester concentration was studied
at 50
o
C. From the results obtained ester concentration as well as the % conversion decreased as the
alcohol-to-oil molar ratio was increased. This can be explained on the basis of the reactant (oil)
concentration in the reaction mixture. By increasing alcohol to oil molar ratio, the amount of alcohol
was increased, therefore the Milk bush and catalyst concentrations were diminished, which reduced
the rate of reaction. Results published by Boocock et al. (1998) showed a similar trend in which the
methyl ester percentage decreased as the alcohol-to-oil molar ratio was increased.

Replicatio
n
Catalyst
concentration
(wt. %)
Temperat
ure
(
o
C)
Alcohol to
oil molar
ratio
Conversion,
mol %
1 min 5 min 10 min
1 0.5 50 6:1 16.5 44.5 53.6
2 0.5 50 6:1 27.5 61.8 66.0
3 0.5 50 6:1 34.6 66.6 71.6
4 1.0 50 6:1 61.5 76.8 84.3
5 1.0 50 6:1 72.5 81.9 83.6
6 1.0 50 6:1 75.4 82.2 84.1
7 1.5 50 6:1 81.7 86.8 90.1
8 1.5 50 6:1 78.9 87.3 90.1
9 1.5 50 6:1 81.5 90.4 99.9
10 1.0 50 9:1 35.8 65.4 78.0
11 1.0 50 9:1 42.4 78.0 86.1
12 1.0 50 9:1 55.3 83.7 89.5
13 1.0 50 12:1 21.0 48.2 70.2
14 1.0 50 12:1 45.2 73.6 83.7
15 1.0 50 12:1 52.5 52.5 92.7
16

Table 1: Values of V
r
, S
v
, S
t
and V
o
obtained from the Numerical Simulation
S/n Volume, Vr
(m
3
)
Space velocity, S
(sec.
-1
)
Space tim, S
T

(Sec.)
Volumetric
flowrate, Vo,
(m
3
/s)
1 0.1000 0.0014 720.0000 0.0111e-03
2 0.3500 5.5555e-04 1800.0000 0.0389e-03
3 0.7000 2.7778e-04 3600.0000 0.0778e-03
4 1.2000 1.1111e-04 9000.0000 0.1333e-03
5 1.4500 9.2593e-05 10800.0000 0.1611e-03

Table 2: Values of V
r
, -R
a
, 1/R
a
, F
ao
and Conversion Rate obtained from the Numerical Simulation
S/n Volume, Vr
(m
3
)
Reaction
rate,
-Ra
1/-Ra Fao/-Ra %
Conversion,
X
1 0.1000 4.3826 0.2282 0.7758 0
2 0.3500 1.2522 0.7986 2.7152 0.2
3 0.7000 0.6261 1.5972 5.4304 0.4
4 1.2000 0.3652 2.7381 9.3100 0.6
5 1.4500 0.3022 3.3085 11.2504 0.8

Table 3: Design Parameters for a Cylindrical shape CSTR
S/N Volume, Vr
(m
3
)
Radius, R (m) Height of
Cylinder, h (m)
Area, A (m
2
)
1 0.1000 0.2940 0.4060 0.2463
2 0.3500 0.4040 0.6025 0.5809
3 0.7000 0.5580 0.7366 0.9503
4 1.2000 0.6780 0.8309 1.4441
5 1.4500 0.6880 0.9751 1.4871

V
total
= V
1
+ V
2
+ V
3
+ V
4
+ V
5
= 3.8m
3
Radius of the total volume = 0.9643m, Area =2.9212m
2
and Length of tube =1.3m
The results above was obtained from Numerical Simulation of model equation using MATLAB
2013a, from series of iterations using initial guess values with boundary conditions.

17

Fig. 1: The reciprocal of reaction rate versus percentage conversion of the biodiesel

Fig. 2: Volume of Reactor versus Conversion rate

Fig. 3: The Percentage Conversion of the Oil in a given Volume

0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8
0.5
1
1.5
2
2.5
3
X, Conversion
1
/
-
R
a

1/-Ra versus X
Reaction rate vs % Conversion
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8
0.2
0.4
0.6
0.8
1
1.2
1.4
X, % Conversion
V
r

(
c
u
b
i
c

m
e
t
e
r
)

Vr vs. X
Volume versus % Conversion
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8
2
4
6
8
10
X, % Conversion
F
a
o
/
-
R
a

(
c
u
b
i
c

m
e
t
e
r
s
)

Fao/-Ra versus X
18

Fig. 4: Volumetric Flow Rate versus Volume of CSTR

Fig. 5: Reactor Volume versus Space Time

From the Fig. 5 above General model for the volume versus space time,
f(x) = a*exp(b*x), Coefficients (with 95% confidence bounds): a = 0.2899 (-0.003071, 0.5828),
b = 0.0001524 (4.692e-05, 0.0002579).

Fig. 6: Volume of CSTR versus Space time
0.2 0.4 0.6 0.8 1 1.2 1.4
2
4
6
8
10
12
14
16
x 10
-5
Volume of CSTR (cubic meter)
V
o
l
u
m
e
t
r
i
c

f
l
o
w
r
a
t
e

(
c
u
b
i
c

m
/
s
)

y = 0.00011*x + 8e-09
2000 4000 6000 8000 10000
0.2
0.4
0.6
0.8
1
1.2
1.4
St (sec.)
V
r

(
c
u
b
i
c

m
e
t
e
r
)

Vr vs. St
Volume of CSTR versus space time
2000 4000 6000 8000 10000
0.2
0.4
0.6
0.8
1
1.2
1.4
St (sec.)
V
r

(
c
u
b
i
c

m
e
t
e
r
)

Vr vs. St
Volume of CSTR versus space time
19

The Fig. 7 above show the equation for the prediction of Space time at different sizing of the
volume of CSTR using a Smoothing spline: f(x) = piecewise polynomial computed from p,
Smoothing parameter: p = 8.9306127e-10, Goodness of fit: SSE: 0.001847, R-square: 0.9986.

Fig. 7: Space velocity versus Volume and Space time

Fig. 8: The Inverse of Reaction Rate versus Space Time

Fig. 9: The Reaction Rate versus Space Time
2000
4000
6000
8000
10000
2
4
6
8
10
12
14
x 10
-4
0.5
1
1.5

St (sec.)
Sv (1/sec.)

V
r

(
c
u
b
i
c

m
)
Vr vs. St, Sv
2000 4000 6000 8000 10000
0.5
1
1.5
2
2.5
3
St (sec.)
1
/
-
R
a

1/-Ra versus St
2000 4000 6000 8000 10000
1
2
3
4
St (sec.)
-
R
a

-Ra vs. St
Reaction rate vs Space time
20

Fig. 10: Reactor Volume versus Reactor Radius

Effect of Space Time and Space Velocity
From the results obtained, it could be observed that as the space time and space velocity
increased, the concentration of ester produced also increased, this is in agreement with the findings
of Olatunji et al., (2011) and Suppes et al., (2004).

CONCLUSION

The model equations developed can be used to design a CSTR with different dimensions that
can be used to produced a known volume of the Milk bush (Thevetia peruviana) oil at isothermal
reaction temperature of 50
o
C and 1.0 wt % KOH. The 6:1 alcohol-to-oil molar ratio was found to be
optimum at low reaction temperature below 50
o
C. At high reaction temperature (50
o
C), 12:1 alcohol-
to-oil molar ratio is recommended.

PART MATLAB PROGRAMME

%for 100L of CSTR; Computation of Space velocity
%Radius of the reactor using initial guess values
%of the space velocity, Let St= space time (sec.)

%Input Variables
%
Cao=8.523096; % initial conc. of triglyceride(mol/L)
Cbo=1.955362; % initial conc.of ester(mol/L)
Cyo=Cao*Cbo

%Equation(9);CSTR in isothermal codition
V=100; %where Vr=100L
Fao=3.4; %mol/sec
Xa=0.1289; %Unit=mol/L
Ra=-(Fao*Xa)/V
%
%A cylindrical reactor design
0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9
0.2
0.25
0.3
0.35
0.4
0.45
0.5
0.55
R
a
d
i
u
s

(
m
)
Volume (cubic meter)

y = 0.44*x + 0.25
data1
linear
21

%Dimensions of design parameters

V=100; %Volume of CSTR in Litre=dm cube
for S=[1,6,12,16,20,24] %Space velocity 1/min
R=sqrt(V./(2*pi*S)); %Radius of the reactor
end

% Length of CSTR
for R =[3.9894,1.6287,1.1516,0.9974,0.8921,0.8143];
L=V./(2*pi*R^2);
end
%
S=[1,6,12,16,20,24];
%
%Space time(mins)
%
L =[1.0000;5.9998;12.0010;15.9986;19.9983;24.0022];
for S=[1,6,12,16,20,24];
St=S/L
end

%
for S=[1,6,12,16,20,24];
V=(2*pi*R^2*S);
end

for Vr =[4.1663, 24.9977, 49.9954, 66.6605, 83.3257, 99.9908];
Ra=-(Fao*Xa)/Vr
end

REFERENCES

[1] Akor, A. J., Chancellor, W. J., Raubach, W. (1983). The Potential of Palm Oil as a Motor
Fuel. Tran. ASAE, 26(1): 23-28.
[2] Barbour R.H., D.J. Rickeard and N.G. Elliot. (2000). Understanding diesel lubricity. SAE
Paper. 01-191.
[3] Boocock, D.G.B., S.K. Konar, V. Mao, C. Lee and S. Buligan. (1998). Fast Formation of
High-Purity Methyl Esters from Vegetable Oils, JAOCS 75(9), 1167-1172.
[4] Canakei M. and J.V. Gerpen. (2001). Biodiesel Production from Oils and Fats with High
Free Fatty Acids. Transactions of ASAE 44(6), 1429-1436.
[5] Darnoko, D. and M. Cheryan. (2000). Kinetics of palm oil transesterification in a Batch
reactor. J. Am. Oil Chem. Soc., 77(12): 1263-1267.
[6] Freedman B., R.O. Butterfield and E. H. Pryde. (1986). Transesterification Kinetics of
Soybean Oil, JAOCS 63(10), 1375-1380.
[7] Ma, F. and M.A. Hanna. (1999). Biodiesel Production: A Review, Bioresource Technology
70, 1-15.
[8] Olatunji, O.M., Akor, A.J., Abowei, J.F.N. and Akintayo, C.O. (2011).
[9] Transesterification for the preparation of Biodiesel from crude oil of Milk bush, Research
Journal of Environmental and Earth Science, 3(4): 358 363, 2011.
22

[10] Olatunji, O.M., Akor, A.J., and Abowei, M.F.N. (2012). Modelling The Chemical Kinetics of
Milk Bush (Thevetia peruviana) Oil Transesterification Process for Biodiesel Production.
Continental Journal Of Engineering Sciences. 7(3): 40-48.
[11] Abowei, M.F.N., Olatunji O.M., and Akor, A.J. (2013). Modelling Batch Reactor for Milk
Bush (Thevetia peruviana) Oil Transesterification in the Production of Biodiesel.
International Journal of Scientific and Engineering Research, 4(4) :952-967.
[12] Suppes, G.J., Dasari, E.J., Doskosil, E.J., Mankidy, P.J. and Goff, M.J, (2004).
Transesterification of Soyabean oil with zeolite and metal catalysis. Appl. Catal. A: Gen.,
257(2): 213-223.
[13] Dr. V.Balaji and E.Maheswari, Model Predictive Control Techniques for CSTR using
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Volume 3, Issue 3, 2012, pp. 121 - 129, ISSN Print : 0976-6545, ISSN Online: 0976-6553.

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International Journal of Advanced Research in Engineering and Technology (IJARET), ISSN 0976

= Volume of the CSTR;

= Space time (sec)

= Volumetric flow of the reacting substance in the vein.

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