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FB React
FB React
HYSYS & UniSim Costs Safety Case studies Excel MATLAB Experiment Design
8. Determine a reasonable range for the superficial gas velocity U (velocity as if there were no
particles present, i.e. the volumetric flow rate of the gas divided by the cross-sectional area),
in m/s. (Use Figures 8b and 10, for example.)
9. From Figure 11a, find a reasonable heat transfer coefficient at 200 kPa between the bed and
the wall or immersed tubes, in w/m2.K.
10. Find a reasonable value for the Transport Disengaging Height (TDH) and the reactor
diameter, from Figure 17.
Following is approximately what a suitable PFD should be in HYSYS & UniSim, without the
white rectangle, which represents the actual reactor.
Actual reactor
The butane and the air are to be fed separately into the reactor, which can be considered
isothermal. You will simulate it by a plug-flow reactor with 10% bypass to account for backmixing and bubbling. You will use several fictitious units to simulate the actual reactor. Carry
out the following steps:
1. In the Basis Environment enter the components for air and n-butane, and select a suitable
thermodynamics package.
2. Find a source for reaction kinetics, e.g. G. Centi, G. Fornasari and F. Trifir, n-Butane
Oxidation to Maleic Anhydride on Vanadium-Phosphorus Oxides: Kinetic Analysis with a
Tubular Flow Stacked-Pellet Reactor, Ind. Eng. Chem. Prod. Res. Dev. 24 (1985) 32-37.
From this, determine the kinetics constants suitable for use in the software. Note that
HYSYS & UniSim assume that the reactions all take place in the gas phase, even though in
this case they all occur on the surface of the catalyst particles (i.e., heterogeneous catalysis).
Thus the kinetics expressions (actually the pre-exponential A values in the numerators)
depend on the void fraction , particle size and porosity. Enter appropriate constants into the
Basis.
3. Create a second basis for water with either the ASME steam or NBS steam package.
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4. Go to the Simulation Environment. Set the n-butane flow rate to correspond to that required
for the desired maleic anhydride production rate assuming a reasonable overall yield for the
plant. Assume room T and 1.5 atm.
5. Change the air flow rate such that if the butane and air streams were mixed there would be
4% butane in the mixed gas. (See the references above.)
6. Insert a pump for the butane and a compressor for the air. Specify the outlet pressure only
for the pump, from 200 to 500 kPa.
7. Insert a Set unit and make the compressor outlet pressure equal to the butane pump outlet
pressure. In this way you can change the pressure to the reactor without having to change the
outlet pressures for both compressor and pump.
8. Add a heat exchanger for the butane to increase its temperature as high as possible using high
pressure steam. (Follow applicable heuristics.) Print a plot of temperature (Y) versus heat
flow (X). There should be at least 20 points for the butane (tube) side.
9. Add a heat exchanger for the air using high pressure steam. Use a Set unit to make the exit
temperature equal to that for the butane heat exchanger. Print out a plot of temperature
versus heat flow.
10. Add a fictitious mixer to combine the butane and air streams. (These would be fed separately
into the real reactor, as described in the ALMA references above.)
11. Add a fictitious heater (not a heat exchanger). For now, leave its exit temperature blank.
(Later it will be set equal to the reactor exit temperature, since the reactor is assumed
isothermal. In the actual reactor, the feed streams are rapidly heated by the circulating
catalyst particles.)
12. Add a fictitious splitter, with 10% of the stream going to the bypass.
13. Insert a plug-flow reactor with the following specifications:
a. Design Parameters page. From the Kirk-Othmer fluidization section, the Delta P in a
fluidized bed is approximately the weight of the catalyst divided by the cross-sectional
area, or catalystgh. Use your value for the catalyst density and assume a reasonable value
for bed height h. For Duty Parameters, click Cooling and Direct Q Value. (You want
HYSYS/UniSim to calculate the duty so that you can estimate how much steam will be
produced by the reactor. Since youre assuming isothermal conditions, you dont want to
calculate heat transfer for this fictitious reactor.)
b. Design Heat Transfer. Direct Q Value. Name the Energy Stream whatever you want;
youll be generating steam from boiler feed water in the real reactor.
c. Rating. Set 1 tube, as the water-steam will be inside the tubes while the catalyst and
process gas will be on the shell side. Guess a Volume. The Length and Void Fraction
should be the values used in 13.a above.
d. Set the fictitious heater temperature equal to the reactor effluent temperature.
e. On the reactor Worksheet page, guess an effluent temperature. If the green run icon is
depressed, the reactor should converge.
f. Performance Compositions Plot. Select butane, MA and carbon dioxide as the
components. Change the Component Basis to Molar Flow. From the plot, estimate the
yield of MA. Play around with T, P, volume, length until you get a yield greater than
50% (based on the butane feed stream, since in actuality all of this enters the reactor --the bypass is fictional).
g. If necessary, redo step a (reactor pressure drop).
14. Check the superficial gas velocity at the entrance and exit of the reactor, using streams 8 and
12 to get the actual volumetric flow rate of the gas. (Why are these significantly different?)
Make certain these are within the range you found above. If not adjust or the reactor crosssectional area until all is okay.
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15. Calculate the amount of steam produced by the reactor. First subtract the duty of the
fictitious heater from the reactor duty --- this gives the actual duty of the actual reactor. Then
divide this by the latent heat of evaporation of the steam to be produced (difference between
specific enthalpy of saturated vapor and liquid at the chosen pressure).
16. Estimate the heat transfer area required for the real reactor. Estimate the overall U from the h
found in L-14 for the bed side and from heuristics for the boiling water side.
17. From the area in 17, assume a tube diameter and calculate how many vertical tubes would
have to be inserted in the bed to cool it by generating steam.
18. From Kirk-Othmer, pick a reasonable value for the Transport Disengaging Height.
19. Determine the overall volume of the reactor by adding the volume used in your reactor
calculations, the volume occupied by the steam tubes, and the volume occupied by the
Transport Disengaging Height.
20. Make certain the diameter and height conform to the applicable heuristic for a vessel. If not,
make the appropriate changes in your design.
21. Later, in CAPCOST, cost the reactor both as a vessel (by volume) and heat exchanger (by
heat exchange area), just as for a packed bed reactor with heat transfer.
Created June 21, 2007; last modified December 10, 2009.
comments and suggestions to W.R. Wilcox
Disclaimer: The material on these pages is intended for instructional purposes by Clarkson
University students only. Neither Clarkson University nor Professor Wilcox is responsible for
problems caused by using this information.
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HYSYS & UniSim Costs Safety Case studies Excel MATLAB Experiment Design