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ABSTRACT
This paper presents development of design equations to evaluate the performance of Non-isothermal continuous stirred tank
adsorption tower (CSTAT) for sulphuric acid production from sulphur trioxide hydration using vanadium catalyst. The
performance parameters as a function of kinetics data considered in this work include reactor volume, height, space velocity,
space time and heat duty. Model performance equation were developed to determine the functional parameters of the reactor.
The developed performance models were simulated using Matlab R2007B within the operational limits of conversion degree
and other kinetic parameters. The results of simulation demonstrated reproducible behavior as adsorption tower functional
dimensions have prefect correlation to each other.
Keywords: Modelling Non-Isothermal CSTAT Sulphuric Acid
1.
INTRODUCTION
2. KINETICS EVALUATION
S O2
SO2
SO2
O2
SO3
1
H 2O S O3
H 2 SO4
Through the years, several catalyst formulations have been
employed, but one of the traditional catalytic agents has been
Vanadium pentoxide (V2O5) (Dueker and West 1975). Its
principal applications include; ore processing, fertilizer
manufacturing, oil refining, waste water processing, chemical
synthesis etc. [Faith, 1965].
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
The general schematic presentation for the production of sulphuric acid is given below.
Air
Figure 1: Contact process for making sulfuric acid and Oleum from sulfur.
RA
Where
CAo
CBo
XA
-RA
generation, thus.
SO3 H 2O
H 2 SO4
-RA
= K2
SO3 H 2O
Hence from equation (2.33) the amount of SO3 and H2O that have
reacted at any time t can be presented as;
K2
A0
C A0 X A
Bo
C A0 X A
(%)
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
by modifying equation (4) as illustrated below. The hypothetical
concentration profile of the absorption of sulphur trioxide by
steam (H2O) is represented in figure.2
Concentration
Gas (SO3)
CAi
Inter face
Liquid film
Liquid (steam)
CBi
ZL
CBL
Gas Film
r
Distance normal to phase boundary
Figure 2: Absorption with chemical Reaction
Sulphur trioxide (A) is absorbed into the steam (B) by diffusion. Therefore the effective rate of reaction by absorption is defined by
RA
C Ai
rDL
ZL
C AL rK L (C Ai C AL )
Invoking the works of Krevelen and Hoftyzer, the factor r is related to C Ai, DL and KL to the concentration of steam B in the bulk liquid
CBL and to the second order reaction rate constant K2 for the absorption of SO3 in steam solution. Thus
K 2 DL C BL
KL
= (CA) CBL2 K 2 2
- RA
DL2 ..
Previous reports [ Octave levenspiel 1999] showed that the amount of SO 3 (CA) and steam (CBL) that have reacted in a bimolecular type
reaction
with conversion XA is CAO XA. Hence equation (7) can be rewritten as
K 2 2 D L2 C BO C AO X A 2 C A0 C A0 X A
1
- RA
=
1
K 2 2 DL2 C A0
(m X A )
(1 X A ) .
Where
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
m=
CB0
C A0
-RA
K2
DL
KL
3.
3.1
3.1.1
Reactor Volume
For non-isothermal operation of the continuous stirred tank reactor, the reactor volume model is obtained from the auto-thermal balance
principle (Conlson & Richardson, 1979), which is expressed mathematically as:
Rate of heat
Rate of heat
Production
Rate of heat
Removal by out
By reaction
Flow of product
Removal by
Heat transfer
But,
rate of heat production by reaction = ( -HR) RAVR
rate of heat removal by out flow of product = G PCP (T-To)
rate of heat removal by heat transfer = UAt (T-Tc)
10
11
12
Equation (10- 12), Which upon substitution into equation (9) gives
( -HR) RAVR = GPCP (T-T0) + U At (T-Tc)
13
From which,
VR
GPCP T T0 UAt T Tc
H R RA
14
C A20 m X A
15
Recall that
- RA
2
2
DL
1 X A
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
VR
Where,
GP
CP
U
At
XA
T
T0
Tc
HR
CA0
K2
DL
m
3.1.2
G p C p T T0 UAt
H R
=
=
=
=
=
=
=
=
=
=
=
=
=
2
2
2
L
T Tc
1
m X A 2 1 X A
2
A0
16
Reactor Height
Considering a reactor with cylindrical shape we have
VR
r 2 h
17
VR
r 2
18
G p C p T T0 UAt T Tc
h
3.1.3
r 2 H R K
2
2
C A20 m X A
3
2
L
1 X A
19
Space Time
The space time Ts is mathematically defined (octave levenspiel, 1986 and coulson & Richardson, 1979) as
Ts
Volume of reactor
Volumetric flow rate
VR
V0
20
But
V0
21
p
Gp
VR
22
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
Ts
3.1.4
p G pC p T T0 UAt T Tc
H R GP K
2
2
2
L
C A20 m X A
3
1 X A
23
Space Velocity
This is the reciprocal of the space time, T s and expressed mathematically as
Vs
1
V
0
Ts
VR
24
Vs
3.1.5
H R G p K
C A20 m X A
1 X A
p G pC p T T0 UAt T Tc
1
2
2
2
L
25
(-Hr) FA0 XA
26
The heat generation per reactor volume is obtained by dividing both sides of equation (26) by the reactor volume, i.e
Rq
Q
VR
H R FA0
XA
27
VR
Rq =
H R 2
FA0 X A K 22 D 22 C A20 m X A
G pCP T T0 UAt T Tc
1
1 X A
28
Figure 4 demostrates hypothetical non-isothermal continuous stirred tank adsorption tower(CSTAT) for sulphur trioxide hydration process.
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
Computational Method
START
READ
Gp, Cp, Tc, Vo, U, AT, T0, CAO,
HR, K2, DL, M, D1
INITIALIZE
XA = 0.95
T = 313
PRINT
T; XA; VR, h; Ts; Vs;
QG ; RQ
XA = XA + 0.01
No
T = T + 10
T > 363
Yes
STOP
Figure:4 Flow chart Describing the computational procedure of non-Isothermal CSTAT performance dimension
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
3.2.1
The reactor performance models were evaluated with variables obtained from stoichiometric calculations from the reaction mechanism
presented in section 1 equation 2. Such functional variables inculcated into the computer algorithm for the purpose of simulation of the
performance dimensions include molar flow rate, concentration etc.
Symbol
Value
Unit
At
1.15
m2
Cp
1.38
KJ/KgK
Cpc
4.2
KJ/KgK
CA0
16,759
mol/m3
-0.5
Gp
0.3858
Kg/sec
313 to 363
T0
303
T0
298
Heat of reaction
HR
-88
Kj/mol
6.945
Kj/Secm2
1.64x103
Kg/m3
K2
0.3
1/sec
Conversion degree
XA
0.95 - 0.99
FA0
3.937
mol/sec
1000
Kg/m3
Di
0.02 to 0.1
1.0 to 1.5
0.1 to1.0
DL
17
m2/Sec
V0
2.352 x10-4
m3/Sec
Cpw
4.2
KJ/KgK
5 x 10-3
Kg/m.sec
5 x 10-4
Kg/m.sec
Kw
0.6
w/mK
Ka
0.25
W/mK
KH
11.0
W/mK
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
continuous reactors, while the height of reactor were obtained for
the continuous stirred tank reactors and the semi-batch reactor.
Similarly, information for the pressure drop in the plug flow
reactor, whose diameter Di was varied from 0.02 to 0.1 m was
also obtained. Suitable heat exchangers were also designed for
the isothermal reactors and the semi-batch reactor to remove the
heat of reaction occasioned during the process. It is the purpose
of this section to present and discuss the results of the reactor
types and the heat exchangers and to compare their performance.
The functional parameters of the reactors are tabulated in figures
17, 18, 19, 20, 21, 22, 23, and 24. And appendix 1-2. The results
showed that the reactor volume is dependent on operating
temperature T and degree of conversion X A. The volume of the
reactor would tend to infinity at 100% conversion. The variation
of the reactor volume, as a result of sulphur trioxide addition to
water, with reaction time, operating temperature and degree of
conversion is illustrated in figures 5, 6, 7, 8, 9, 10, 11, and 12.
From the results it was observed that volume of the reactors
increases with increasing degree of conversion and decreases
with increasing operating temperature. This characteristic
behavior was observed to be in agreement with the usual reactor
prototypes dependable features of performance parameters visavis the kinetic data (Abowei 1989).
Figures 11 and 12 illustrated the variation of heat generation per
unit volume of the reactors as a function of reaction time t,
-3
1.4
x 10
1.2
xA=95
xA=96
xA=97
xA=98
xA=99
0.8
0.6
0.4
0.2
0
310
320
330
340
350
TEMPERATURE (K)
360
370
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
-4
1.8
x 10
313
323
333
343
353
363
1.6
1.4
1.2
1
0.8
0.6
0.4
0.2
0
0.94
0.95
0.96
0.97
0.98
CONVERSION DEGREE
0.99
Figure 6: plot of Reactor Volume against Conversion Degree for Non-Isothermal CSTAT
5
xA=95
xA=96
xA=97
xA=98
xA=99
0
310
320
330
340
350
TEMPERATURE (K)
360
370
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
0.8
313
323
333
343
353
363
0.7
0.5
0.4
0.3
0.2
0.1
0
0.94
0.95
0.96
0.97
0.98
CONVERSION DEGREE
0.99
Figure 8: Plot of Space Time against Conversion Degree for non-isothermal CSTAT
35
30
SPACE VELOCITY(sec-1)
0.6
xA=95
xA=96
xA=97
xA=98
xA=99
25
20
15
10
0
310
320
330
340
350
TEMPERATURE (K)
360
370
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
35
313
323
333
343
353
363
30
25
20
15
10
0
0.94
0.95
0.96
0.97
0.98
CONVERSION DEGREE
0.99
Figure 10: plot of Space Velocity against Conversion Degree for non-Isothermal CSTAT
4.5
x 10
xA=95
xA=96
xA=97
xA=98
xA=99
3.5
3
2.5
2
1.5
1
0.5
0
310
320
330
340
350
TEMPERATURE (K)
360
370
Figure 11: Plots of Heat Generated per unit Volume against Temperature for Non-Isothermal CSTAT
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
7
4.5
x 10
313
323
333
343
353
363
4
3.5
3
2.5
2
1.5
1
0.5
0
0.94
0.95
0.96
0.97
0.98
CONVERSION DEGREE
0.99
Figure 12 plot of Heat Generated per Unit Volume against Conversion Degree for non-Isothermal CSTAT
b.
5. CONCLUSION
RECOMMENDATION
AND
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
function of the kinetic parameters with the aim of
establishing the optimum operational limit of
conversion and time frame.
REFERENCES
Abowei, M. F.N. (1989). Computer-aided design of
heat exchanger for P.F. reactor in the addition of
ethylene oxide. Part 1: Design equation development.
Modeling, simulation and control, B. AMSE press, vol.
25, no. 4, pp. 15-24.
Ancheya Juarez, J. C., A. Strategy for Kinetic
Parameter Estimation in the Fluid Catalytic Cracking
Process, Ind. Eng. Chem. Res., 36 (12): pp 5170- 5174,
1997.
Austin, G. T. (1984), Shreves Chemical process
industrial. Fifth edition, publisher
McGraw-Hill,
pp370-345.
Charles G. Hill, jr (1977), An Introduction to chemical
engineering Kinetics & Reactor design, 1st edition, John
Wiley & Sons USA, pp5-16, pp509-523.
Chenier, P. J. (1987), Survey of industrial chemistry,
John Wiley & Sons, New York, pp45-47.
Coulson, J. M., Richardson, J. F. (1978), Chemical
Engineering, vol.2, 3rd Edition, Pergamon press Inc.,
New York, pp.529-530, 547-550.
Coulson J. M., Richardson J. F. Chemical
Engineering Vol. 3, 2nd Edition, Pergramon Press Inc.
New York (1979). Pp. 3 -10, 36 -42.
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
APPENDIX 1: NON- ISOTHRMAL CSTAT
VR (m3)
h (m)
Ts (sec)
Vs (sec-1)
Rq (kJ/sec.m3)
T
(K)
XA
313
0.95
2.5957e-005
1.3220e-002
1.1036e-001
9.0612e+000
1.2680e+007
323
0.95
4.3629e-005
2.2220e-002
1.8550e-001
5.3909e+000
7.5438e+006
333
0.95
6.1302e-005
3.1221e-002
2.6064e-001
3.8367e+000
5.3690e+006
343
0.95
7.8975e-005
4.0221e-002
3.3578e-001
2.9782e+000
4.1676e+006
353
0.95
9.6647e-005
4.9222e-002
4.1092e-001
2.4336e+000
3.4055e+006
363
0.95
1.1432e-004
5.8223e-002
4.8605e-001
2.0574e+000
2.8791e+006
313
0.96
3.6276e-005
1.8475e-002
1.5423e-001
6.4837e+000
9.1686e+006
323
0.96
6.0974e-005
3.1054e-002
2.5924e-001
3.8574e+000
5.4548e+006
333
0.96
8.5672e-005
4.3632e-002
3.6425e-001
2.7453e+000
3.8822e+006
343
0.96
1.1037e-004
5.6211e-002
4.6926e-001
2.1310e+000
3.0135e+006
353
0.96
1.3507e-004
6.8790e-002
5.7427e-001
1.7413e+000
2.4624e+006
363
0.96
1.5977e-004
8.1369e-002
6.7928e-001
1.4721e+000
2.0818e+006
313
0.97
5.5850e-005
2.8444e-002
2.3746e-001
4.2113e+000
6.0172e+006
323
0.97
9.3875e-005
4.7810e-002
3.9913e-001
2.5054e+000
3.5799e+006
333
0.97
1.3190e-004
6.7177e-002
5.6080e-001
1.7832e+000
2.5478e+006
343
0.97
1.6993e-004
8.6543e-002
7.2248e-001
1.3841e+000
1.9777e+006
353
0.97
2.0795e-004
1.0591e-001
8.8415e-001
1.1310e+000
1.6161e+006
363
0.97
2.4598e-004
1.2528e-001
1.0458e+000
9.5619e-001
1.3662e+006
313
0.98
1.0260e-004
5.2255e-002
4.3624e-001
2.2923e+000
3.3091e+006
323
0.98
1.7246e-004
8.7833e-002
7.3325e-001
1.3638e+000
1.9687e+006
333
0.98
2.4232e-004
1.2341e-001
1.0303e+000
9.7063e-001
1.4012e+006
343
0.98
3.1217e-004
1.5899e-001
1.3273e+000
7.5342e-001
1.0876e+006
353
0.98
3.8203e-004
1.9457e-001
1.6243e+000
6.1566e-001
8.8874e+005
363
0.98
4.5189e-004
2.3015e-001
1.9213e+000
5.2048e-001
7.5135e+005
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
313
0.99
2.9021e-004
1.4780e-001
1.2339e+000
8.1046e-001
1.1819e+006
323
0.99
4.8779e-004
2.4843e-001
2.0739e+000
4.8217e-001
7.0315e+005
333
0.99
6.8538e-004
3.4906e-001
2.9140e+000
3.4317e-001
5.0044e+005
343
0.99
8.8296e-004
4.4969e-001
3.7541e+000
2.6638e-001
3.8845e+005
353
0.99
1.0805e-003
5.5032e-001
4.5942e+000
2.1767e-001
3.1742e+005
363
0.99
1.2781e-003
6.5095e-001
5.4343e+000
1.8402e-001
2.6835e+005
h (m)
Ts (sec)
Vs (sec-1)
Rq (kJ/sec.m3)
T(K)
XA
313
0.95
1.5
7.8263e-006
3.9859e-003
3.3275e-002
3.0053e+001
4.2055e+007
323
0.95
1.5
1.3155e-005
6.6997e-003
5.5930e-002
1.7879e+001
2.5020e+007
333
0.95
1.5
1.8483e-005
9.4134e-003
7.8585e-002
1.2725e+001
1.7807e+007
343
0.95
1.5
2.3812e-005
1.2127e-002
1.0124e-001
9.8775e+000
1.3822e+007
353
0.95
1.5
2.9140e-005
1.4841e-002
1.2390e-001
8.0713e+000
1.1295e+007
363
0.95
1.5
3.4469e-005
1.7555e-002
1.4655e-001
6.8236e+000
9.5487e+006
313
0.96
1.5
9.8730e-006
5.0283e-003
4.1977e-002
2.3823e+001
3.3688e+007
323
0.96
1.5
1.6595e-005
8.4518e-003
7.0557e-002
1.4173e+001
2.0042e+007
333
0.96
1.5
2.3317e-005
1.1875e-002
9.9137e-002
1.0087e+001
1.4264e+007
343
0.96
1.5
3.0039e-005
1.5299e-002
1.2772e-001
7.8298e+000
1.1072e+007
353
0.96
1.5
3.6761e-005
1.8722e-002
1.5630e-001
6.3981e+000
9.0476e+006
363
0.96
1.5
4.3483e-005
2.2146e-002
1.8488e-001
5.4090e+000
7.6489e+006
313
0.97
1.5
1.3288e-005
6.7673e-003
5.6495e-002
1.7701e+001
2.5291e+007
323
0.97
1.5
2.2334e-005
1.1375e-002
9.4959e-002
1.0531e+001
1.5047e+007
333
0.97
1.5
3.1381e-005
1.5982e-002
1.3342e-001
7.4949e+000
1.0709e+007
343
0.97
1.5
4.0428e-005
2.0590e-002
1.7189e-001
5.8177e+000
8.3126e+006
353
0.97
1.5
4.9475e-005
2.5197e-002
2.1035e-001
4.7539e+000
6.7926e+006
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International Journal of Engineering and Technology (IJET) Volume 4 No. 12, December, 2014
363
0.97
1.5
5.8522e-005
2.9805e-002
2.4882e-001
4.0190e+000
5.7425e+006
313
0.98
1.5
2.0122e-005
1.0248e-002
8.5553e-002
1.1689e+001
1.6873e+007
323
0.98
1.5
3.3822e-005
1.7226e-002
1.4380e-001
6.9540e+000
1.0039e+007
333
0.98
1.5
4.7522e-005
2.4203e-002
2.0205e-001
4.9492e+000
7.1446e+006
343
0.98
1.5
6.1223e-005
3.1180e-002
2.6030e-001
3.8417e+000
5.5458e+006
353
0.98
1.5
7.4923e-005
3.8158e-002
3.1855e-001
3.1392e+000
4.5317e+006
363
0.98
1.5
8.8623e-005
4.5135e-002
3.7680e-001
2.6539e+000
3.8311e+006
313
0.99
1.5
4.0637e-005
2.0696e-002
1.7278e-001
5.7878e+000
8.4404e+006
323
0.99
1.5
6.8304e-005
3.4787e-002
2.9041e-001
3.4434e+000
5.0215e+006
333
0.99
1.5
9.5972e-005
4.8878e-002
4.0804e-001
2.4507e+000
3.5739e+006
343
0.99
1.5
1.2364e-004
6.2969e-002
5.2568e-001
1.9023e+000
2.7741e+006
353
0.99
1.5
1.5131e-004
7.7060e-002
6.4331e-001
1.5545e+000
2.2669e+006
363
0.99
1.5
1.7897e-004
9.1151e-002
7.6095e-001
1.3142e+000
1.9164e+006
725