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CHEMICAL REACTION ENGINEERING

:
REACTOR DESIGN PROJECT

Caitlin Boyd
Katherine Ross
April 23, 2008

OVERVIEW
 Elements of Reactor Design
 Reaction of 1-butene to maleic anhydride

 Preliminary Plug Flow Reactor Design

 Inclusion of Energy Balance

 Optimization Process

 Optimized Reactor

 Conclusions

ELEMENTS OF REACTOR DESIGN  Momentum Balance & Pressure Drop  Reaction Mechanism  Kinetics  Conversion  Production and Selectivity  Energy Balance  Thermodynamic Stability  Optimization  Assumptions .

MOMENTUM BALANCE AND PRESSURE DROP  The momentum balance accounts for the pressure change in the reactor.75G  o D p  Dp   Pressure drop cannot exceed 10% of initial pressure. dP  o Po T FT  dW Ac (1   ) c P T o FTo where G (1   ) 150(1   )   o  3   1.1Po . P  0.

REACTION MECHANISM 1-butene to maleic anhydride  (1) C4H8 + 3 O2  C4H2O3 + 3 H2O  (2) C4H8 + 6 O2  4 CO2 + 4 H2O  (3) C4H8 + O2  2 C2H4O  (4) C4H8 + O2  C4H6O + H2O .

KINETICS  Preliminary Reaction Kinetics (1 Reaction) rm = k 1 * pB where pB is partial pressure of 1-butene and k1 = 3.8075x 105 *exp(-11569/T) [=] kmol/ kgcat-bar-s .

KINETICS  Kinetics for Multiple Reactions from Literature1 .

 X stands for conversion. FBT0 is the initial flow of 1-butene and FBT is the outlet flow of 1-butene.1 This was used as a basis for all reactor models throughout the design process. .CONVERSION OF REACTANT  The goal conversion of 1-butene found in literature was 90%.

was found by the following equation: FMA Selectivity  FCO2  FC 2 H 4 O  FC 4 H 6 O . the desired product.PRODUCTION AND SELECTIVITY  Goal Production: 40.000 metric tons/ year  Selectivity of maleic anhydride.

ENERGY BALANCE n dT  r * Hi rxn i q  i 1 n F dW io * Cpi i 1 where q 0. .0258826 *1000 o This accounts for non.227 * 4 Ta  T  [=] kJ/ kgcat-s 0.isothermal behavior in the reactor and allows for the optimization of the reactor temperature.

THotspot Gain  Tinlet  A gain less than two indicates a thermodynamically stable reactor. The gain analysis involves raising the coolant fluid temperature one degree and finding the how much the hotspot temperature changes.THERMODYNAMIC STABILITY  The reactor gain was analyzed to determine whether the reactor was thermodynamically stable. .

OPTIMIZATION  Throughout the reactor design project this semester each memo submission involved a new aspect of the reactor: o Volume o Pressure Drop o Multiple Reactions o Energy Balance  The final challenge was to optimize a reactor in both Polymath and Aspen that would include these aspects. .

INITIAL REACTOR ASSUMPTIONS  90% conversion of 1.2 bar  Reactor at 400oC  Catalyst bulk density of 1000 kgcat/ m3  Void fraction: 0.butene  Phosphorous and vanadium oxide catalyst2  Inlet pressure of 2.45 .

REACTOR VOLUME – MEMO 2  Catalyst weight was calculated to be 74.473kgcat Effect of Catalyst Mass on Conversion at Various Temperatures .

28 1.343576 17892.546 2.57 1.0254 22611.0254 23515.44 11.0254 29394.380195 18420.2 1 5.0254 22786.39 1.0254 22964.25203 16606.23 9.306958 17372.72 12.412 2.270339 16859.27 10.27 12.361885 18155.61 13.76 2.99 1.0254 23898.67 1. 1in.31E+04 0.915 2.74 11.25 10.54E+04 0.20E+04 0.26 10.457 2.830919 11304.29 11.54E+04 0.0254 23145.26E+04 0.288649 17115.728 2.3 2.109 2.2 9.29 1.58 1.894 1.0254 23705.37E+04 0.16E+04 .821 2.014011 13485.0254 24495.42 1.325267 17631.54 12.1 6.8 2.0254 26722.67 1. Length varies from 1 meter to 1.76 1.197103 15857.MEMO 3 Memo 3 Table: Number of Tubes and Pressure Drop for 1” Tubes with Varying Length Multi-tubular.99E+04 0.5 2.72 11.MOMENTUM BALANCE.57 11.28 11.0254 23329.3 meter d (meter) # tubes Ac G βo length (m) P% ΔP 0.540 2.3 2.06 1.26 11. Diameter.31 1.87 14.48E+04 0.15E+04 0.0 2.42E+04 0.6 2.90 11.0 2.3 11.12 1.636 2.24 10.011 2.

00 1.28 1.37E+04 4.26 10.261 1 5.15E+04 4.03E+04 Pressure Drop vs.00E+04 1.55 1.20E+04 4. MOMENTUM BALANCE.77 1.48E+04 5.29 11.0 2.24 1.01m length (m) P% ΔP P% ΔP 1.774 1. Reactor Length for Dp = 0.99 1.54E+04 3.26E+04 4.10E+04 1.44 9767.01m .27 10.8 2.399 Pressure Drop vs.66 1.18 6998.3 2.12 9070.13E+04 1.99E+04 4.3 11.76 2.12 1.005m 1.6 2.23 9.05E+04 1.MEMO 3 Effects of doubling particle diameter Dp= 0.24 10.08E+04 1.25 10.06 1.005m Dp= 0.093 1.16E+04 2.40 5277.1 6.54E+04 5. Reactor Length for Dp = 0.42E+04 5.28 11.3 2.15E+04 1.89 1.5 2.0 2.31E+04 4.2 9.

ca/images/chemical.MULTIPLE REACTIONS.bartek.4 http://www.005m  Bulk density: 1.000 kgcat/m3  Inlet pressure: 2.MEMO 4  Assumptions  Isothermal reactor at 623K  Target conversion: 90%  Particle diameter: 0.jpg  Reactions  (1) C4H8 + 3 O2  C4H2O3 + 3 H2O  (2) C4H8 + 6 O2  4 CO2 + 4 H2O  (3) C4H8 + O2  2 C2H4O  (4) C4H8 + O2  C4H6O + H2O .2 bar  Void Fraction 0.

MULTIPLE REACTIONS.MEMO 4  Reaction constants were found through a linearization of the ln(K) vs 1/T Sample Plot of Temperature Dependent K .

Catalyst Weight .MULTIPLE REACTIONS.MEMO 4 Species Molar Flows vs.

SMA 350 0.03471 290 0.MULTIPLE REACTIONS.04574 330 0.03482 .MEMO 4  Selectivity Temperature oC Selectivity.

B.227 kJ/ m2-s-K • Coolant temperature: 558 K  E.ENERGY BALANCE.MEMO 5  New assumptions • Inlet temperature: 563 K • Target conversion: 90%3 • Inlet Pressure = 220.45 • U = 0.000Pa15 • Bulk density = 1000 kgcat/ m3rxtr15 • Dp = 5x10-3 m • Φ = 0. used to locate and control reactor hotspot .

04138 563 0.MEMO 5 Constant Feed Temperature of 563K with Varying Coolant Temperatures Coolant Temperature (K) Selectivity.04004 553 0.ENERGY BALANCE.03716 .03831 583 0.05352 573 0. SMA 543 0.

ENERGY BALANCE.05398 583 0.MEMO 5 Constant Coolant Temperature of 563K with Varying Inlet Temperatures Inlet Temperature (K) Selectivity.05305 553 0.05324 563 0.05506 . SMA 543 0.05352 573 0.

0119 Tubes = 335.ENERGY BALANCE.06663 Methyl Vinyl Ketone 0 0.000 kgcat Nitrogen 6.77303 1.867 Oxygen 1.136882 0.642 Tube Length = 4.2383 Acetaldehyde 0 0.315 Catalyst Weight = 792.64197 6.01471 Pressure (N/m2) 220000 202732 .481803m Maleic Anhydride 0 0.01739 Water 0 0.3051 Carbon Dioxide 0 0.MEMO 5 Aspen Stream Table INLET OUTLET Reactor Configuration: Species Flow (kmol/s) 1-butene 0.

tube Reactor Volume (m3) 0.074473 14.013683 Oxygen (kmol/s) 0.01341 0.15 673.000 220.000 Inlet Flows 1-butene (kmol/s) 0.706 23.15277 0.6 5030 792.15 673.193 0.1502 1.01332 0.149 0.03969 0.0149 0.3 10 0.18 7.400275 4.15 623 563 Maximum Temperature (K) 673.15 623 566.00149 0.001583 0.8946 14.0149 0.867 Pressure Drop (%) N/A 5.000 220.001488 0.136882 Oxygen (kmol/s) 0.REACTOR SIMULATIONS Memo 2 Memo 3 Memo 4 Memo 5 Single Tube Multi.0258826 0.0023614 0.001469 0.40% 88.8946 5.000 220.15305 0.193 1.15 673.35 0.193 0.15 673.01731 Carbon Dioxide (kmol/s) N/A N/A N/A 0.021165 0.01323 0.01486 Pressure (Pa) 220.3284 Maleic Anhydride (kmol/s) 0.001669 0.000 220.473 14894.193 0.0254 0.03 792 Catalyst Weight (kgcat) 74.80% 90% 90% .481803 Diameter (m) N/A 4.97 Hotspot Location (m) N/A N/A N/A N/A 0.22945 Acetaldehyde (kmol/s) N/A N/A N/A 0.6 14894.0149 0.0258826 Number of Tubes 1 1 23.06733 Methyl Vinyl Ketone (kmol/s) N/A N/A N/A 0.77303 Maleic Anhydride (kmol/s) 0 0 0 0 0 Carbon Dioxide (kmol/s) N/A N/A N/A 0 0 Acetaldehyde (kmol/s) N/A N/A N/A 0 0 Methyl Vinyl Ketone (kmol/s) N/A N/A N/A 0 0 Outlet Flows 1-butene (kmol/s) 0.24 0.008581 0.3924 Gain N/A N/A N/A N/A 1.08 Coolant Temperature (K) N/A N/A N/A N/A 558 Length (m) N/A 1 1.000 Inlet Temperature (K) 673.73 Conversion of 1-butene 90% 89.884 335.

935906 558 563 566.657912 557 563 564. . a coolant temperature of 558K and an inlet pressure 2.86977 1.OPTIMIZED REACTOR  An inlet temperature of 563K. With these conditions the reactor volume and catalyst weight were changed to give a 90% conversion and optimal selectivity of maleic anhydride.593818 1.4 bar produce a gain under two.788142  Other conditions gave a thermodynamically unstable reactor. Coolant Inlet Hotspot temperature Temperature Temperature (K) (K) (K) Gain 559 563 568.

011874 INLET F3 Oxygen (kmol/s) 1.65 Coolant Temperature (K) 558 Length (m) 4.015541 REACTOR4 Pressure (Pa) 240.09 Diameter (m) 0.228121 Acetaldehyde (kmol/s) 0.07038 O4 F4 O3 Methyl Vinyl Ketone (kmol/s) 0.172473 Carbon Dioxide (kmol/s) 0.3275 Gain ≤2 Conversion of 1-butene 0.9 . OPTIMIZED REACTOR Optimized Reactor Reactor Volume (m3) 723.000 Inlet Temperature (K) 563 Maximum Temperature (K) 566.025883 Number of Tubes 335.77303 Maleic Anhydride (kmol/s) 0 O1 Carbon Dioxide (kmol/s) 0 F1 REACTOR2 Acetaldehyde (kmol/s) 0 Methyl Vinyl Ketone (kmol/s) 0 F2 MIXER Outlet Flows SPLITER OUTLET O2 1-butene (kmol/s) 0.05% Hotspot Location (m) 0.328376 REACTOR3 Maleic Anhydride (kmol/s) 0.136882 Oxygen (kmol/s) 1.900 Pressure Drop (%) 6.4 Catalyst Weight (kgcat) 723400 Inlet Flows REACTOR1 1-butene (kmol/s) 0.

CONCLUSIONS  Overall the selectivity from the reaction scheme is not optimal for producing maleic anhydride  When the reaction temperature is above 563K the reaction becomes a runaway  The reactor is too large to be cost effective  After 1983 nothing was published because it was found that butane was a better feedstock .

Vol 22. Industrial Engineering Chemical Product Research and Development. Saraf. N. R. 4.REFERENCES 1Cavani.. Journal of Catalysis. No. Oxidation of 1-Butene and Butadiene to Maleic Anhydride. 570-577 2Varma. D. [online] 1978. Trifiro. F. 351-272 . 1983. F. L.... 55.