Académique Documents
Professionnel Documents
Culture Documents
Kyle Lynch
David Teicher
Shu Xu
Project Objective
Process Background
Material Balance
Simple Kinetics and Rate Expressions
Pressure Drop and Reactor Configuration
Multiple Reactions
Energy Balance
Optimization and Conclusions
Literature Review
Research information on raw materials and products
Investigate catalysts and reaction kinetics
Reactor Design
Develop mole balances for multiple reactions
Implement pressure drop & energy balance equations
Optimize reactor
Acrolein
Raw material used for the production of pyridine,
-picoline, and some essential amino acids1
Used for cleaning irrigation ditches, and other derivatives
can be made into rubbers, glues, and polymers 2
Anti-microbial behavior
Biocide in oil well to suppress the growth of bacteria2
100-500 million pounds produced in the U.S. in 2002 2
CH2=CH-CHO
CH2=CH-CH3 + O2
CH2=CH-CHO + H2O
Final Design-Optimization
Isothermal, T=623.15 K5
Species
Change in Reactor
(kgmol/s)
Effluent Rate
(kgmol/s)
Propylene, C3H6
0.05190
-0.04412
0.00779
Oxygen, O2
0.57090
-0.04412
0.52679
Nitrogen, N2
2.14768
2.14768
Acrolein, C3H4O
0.04412
0.04412
0.04412
0.04412
Total
2.77048
2.77048
Simple kinetics6
FP
rP
W
rA k C P C
1/ 2
O2
0 T
dW AC 1 C P T0 FT0
G 1
0
0 D p 3
150 1
1.75G
V = 8,643 m3
C3 H 6 + O 2 C 2 H 4 O +
H2 O
C 3 H 6 3O2 3CO 3H 2 O
4C 3 H 6 3O2 6C 2 H 4 O
C 3 H 6 4.5O2 3CO2 3H 2 O
Major by-products9
Water
CO and CO2
Acetadehyde
r1C
k a c 1B/ 2
r2 H
k a k AC c 1B/ 2 c A
c A n AC k AC n AH k AH n AI k AI n AF k AF
k a c 1B/ 2
k a k AH c 1B/ 2 c A
c A n AC k AC n AH k AH n AI k AI n AF k AF
Symbol
A
B
C
D
E
r3 I
1/ 2
a B
k c
r4 F
k a k AI c 1B/ 2 c A
c A n AC k AC n AH k AH n AI k AI n AF k AF
k a c 1B/ 2
k a k AF c 1B/ 2 c A
c A n AC k AC n AH k AH n AI k AI n AF k AF
F
G
H
I
Species
Propylene
Oxygen
Acrolein
Water
Carbon
Oxides
Acetaldehy
de
Nitrogen
Carbon
Dioxide
Carbon
Monoxide
Chemical
Formula
C3H6
O2
C3H4O
H2O
COx
C2H4O
N2
CO2
CO
V = 287.5 m3
C / FHI
FC
FF FH FI
Temperature
(K)
Acrolein Outlet
Flow (kmol/s)
Carbon Oxides
and
Acetaldehyde
Total
Outlet Flow
(kmol/s)
623
0.04412
0.05937
0.74
633
0.04949
0.05438
0.91
643
0.05401
0.04922
1.10
653
0.05760
0.04430
1.30
663
0.06032
0.03991
1.51
673
0.06227
0.03621
1.72
Acrolein
Selectivity
dT
dW
n
Ua
Ta T i1 rij H Rxij
bulk
m
Fj c pj
j 1
THS
Gain
Tcoolant
Coolant
Temperature (K)
Polymath Model
Hotspot
Temperature (K)
658.15
674.12
674.11
659.15
675.24
675.24
GAIN
1.12
1.13
10
Feed
Condition
s
Catalyst
Specification
Value
Temperature
Pressure
663.15 K
3 atm
Propylene:Oxygen Ratio
1:11
Propylene Conversion
Bed Voidage
85%
40%
Particle Diameter
5 mm
Bulk Density
1698 kg/m
185047.25
kg
108.98 m3
Bed Weight
Bed Volume
Length
Overall Reactor
Diameter
Tube Diameter
Reactor
FEED
B1
2.40 m
7.60 m
0.0259 m
Number of Tubes
Heat Transfer
Coefficient
Coolant Temperature
86,304
227 W/m2-K
Pressure Drop
9.54%
658.15 K
PRODUCT
Species
Propylene, C3H6
12,363
Oxygen, O2
613,288
Nitrogen, N2
2,269,470
Acrolein, C3H4O
75,008
Water, H2O
36,226
Acetaldehyde, C2H4O
6,783
25,779
Carbon Monoxide, CO
2,421
John J. McKetta. Acrolein and Derivatives Encyclopedia of Chemical Processing and Design.
Perry, Robert. Perry's Chemical Engineers' Handbook. 7th. New York: McGraw-Hill, 1997.
10
Toxicological Profile for Acrolein, U.S. Department of Health and Human Service, Agency for Toxic
Substance and Disease Registry (August 2007).
Acrylic Acid and Derivatives. Kirk-Othmer Encyclopedia of Chemical Technology. 4th Edition.
Chemical Database Property Constants. DIPPR Database [Online]. Available from Rowan Hall 3rd
Floor Computer Lab. (Accessed on 1/26/08).
L. D. Krenzke and G. W. Keulks, The Catalytic Oxidation of Propylene: VIII. An Investigation of the
Kinetics over Bi2Mo3O12, Bi2MoO6, and Bi3FeMo2O12. The Journal of Catalysis Volume 64 (1980) p. 295302.
H.S. Tan, J. Downie, and D.W. Bacon, The Reaction Network for the Oxidation of Propylene Over a
Bismuth Molybdate Catalyst, The Canadian Journal of Chemical Engineering Volume 67 (1989) p.
412-417.
Cerac Incorporated. MSDS Search 25 March 1994. Accessed: 8 April 2008.
<http://asp.cerac.com/CatalogNet/default.aspx?p=msdsFile&msds=m000443.htm>