Virtual Catalytical Reactor

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Contents
Virtual Catalytical Reactor Experiment........................................................................................................2
1.3 Theory:.........................................................................................................................................2
1.4 Procedure:...................................................................................................................................3
1.5 Data Collection:...........................................................................................................................3
1.6 Assumptions:...............................................................................................................................4
1.7 Reaction conditions.....................................................................................................................4
1.8 Results.........................................................................................................................................5
1.9 Conclusion and Recommendation...............................................................................................5
1.10 Post-lab Questions.......................................................................................................................5
References:..................................................................................................................................................8
Appendix:....................................................................................................................................................8
 Virtual Catalytical Reactor Experiment
1.1 Objective:
 Understand the basic of catalytical reactor.
 Determine the behavior of flowrates in a packed bed reactor and effect of pressure on gas
phase reaction.
 Determine the reaction kinetic by applying non linear regression.
1.2 Apparatus:
 Virtual catalytical reactor apparatus

1.3 Theory:
Catalytical reactors have wide applications in the production of chemicals, pharmaceuticals and
petrochemicals industries. In 1930 simultaneous development on catalysis is started. In the
process industry, solid catalysts are used where feed is in gaseous or liquid phase or the
combination of two phase. Solid catalyst have large porosity and it helps to move the reactions in
forward directions. There are four types of catalytical reactor.

 Fixed bed
 Moving bed
 Fluidized bed
 Entrained bed

Selection of type of reactor depends on reaction condition, degree of conversion and heat
transfer. Solid catalyst are mostly used in the form of grains or pellets varying in size from 10
micrometer to 10mm. Packed bed reactors are used due to less operating and shut down costs. It
consist of vessels containing one or more tubes of packed catalysts, where the mixture of gases
are passes through the reactor and than sent into gas chromatography where compositions of
reaction outlet are shown. We can operate the reactor at isothermal or at adiabatic condition.
When the reaction is highly exothermic, most of the catalyst may decays and it effects the
reaction rate and selectivity of product may vary during the experiment. We can use cooling
jackets to maintain the temperature of reactor.
1.4 Procedure:
 Start up a reactor where A and B gases are present in two different cylinders are passes
from the valves.
 By setting the flowrates of both gases, amount of gases are controlled by control loop.
 Both gases are sent into the fixed bed catalytical reactor where reaction is takes place in
the presence of soli catalyst.
 Than the product stream is sent into the gas chromatography equipment by open the six
way valve and changing the pressure.
 When steady state is achieved, we can get the results on the screen of GC.
 Than the gases are vent by changing the direction of six way valve and process is
continue.

1.5 Data Collection:

We collect the data from the virtual lab apparatus by using the following id name Fahad

Measuremen FA0 FB0 P (MPa) T (K) yA yB yC

t Number (mmol / (mmol /
s) s)
1 0.5 0.5 0.1 563 0.486 0.462 0.052
2 0.3 0.5 0.1 563 0.349 0.589 0.062
3 0.25 0.75 0.12 563 0.227 0.713 0.06
4 0.2 0.4 0.1 563 0.288 0.628 0.084
5 0.35 0.45 0.15 563 0.383 0.5 0.117
 6 0.4 0.5 0.17 563 0.385 0.484 0.131
7 0.45 0.55 0.18 563 0.377 0.498 0.125
8 0.5 0.6 0.2 563 0.374 0.494 0.132
9 0.55 0.65 0.22 563 0.386 0.472 0.142
10 0.6 0.7 0.3 563 0.355 0.459 0.186
11 0.65 0.75 0.35 563 0.376 0.415 0.209
12 0.7 0.8 0.4 563 0.365 0.409 0.226
13 0.75 0.85 0.45 563 0.358 0.406 0.236
14 0.8 0.9 0.45 563 0.37 0.401 0.229
15 0.85 0.95 0.5 563 0.363 0.395 0.242
16 0.9 1 0.6 563 0.338 0.387 0.275
17 0.95 1.05 0.7 563 0.334 0.375 0.291
18 1 1.1 0.8 563 0.332 0.366 0.302
19 1.05 1.15 0.9 563 0.308 0.367 0.325
20 1.1 1.2 1 563 0.305 0.367 0.328
21 1.15 1.25 1.05 563 0.3 0.372 0.328
22 1.2 1.3 1.1 563 0.322 0.363 0.315
23 1.25 1.35 1.15 563 0.334 0.345 0.321
24 1.3 1.4 1.2 563 0.331 0.352 0.317

1.6 Assumptions:
We take the following assumptions during calculations

 Process is isothermal
 Packed bed may be considered as plug flow reactor.
 Both the gases behaves as ideal gas.
 Assume the pressure is 2 bar and vary the pressure with the flowrate.
 We take the values at steady state conditions.

1.7 Reaction conditions

The following are the reaction conditions

Reaction is takes place at 563 K where A and B reacts on the solid catalyst surface and reactor
volume is 10 cm3.

A+B 2C

We can find out the equilibrium constants by using the following equation.
rA =- kCA/(1 + KA CA)
 1.8 Results
After applying the non-linear regression, we find out the values of equilibrium constants in per
seconds.

KA = 0.09, k = 0.39 KB = 0.10

When we increase the temperature rate constant increases while adsorption factor decreases but
we assume our process is isothermal. In this experiment we understand the behavior of
catalytical reactor, how the gases are adsorbed at the surface of catalyst and find out the reaction
kinetics by using excel. We also observe the change in outlet concentration by changing the feed
conditions.

1.9 Conclusion and Recommendation

In this experiment we observe the kinetics of reaction and find out the rate constants ,
equilibrium constants and by changing the flowrates, we can find the behavior of products
stream. We also know the analysis of gas chromatography. We use the differential equations to
solve the reaction kinetics. This experiment can b performed on lab scale and see how the
reaction conditions changes. By changing the temperature, we can also observe the reaction that
are taking place in plug flow reactors.

1.10 Post-lab Questions

Q1) What safety precautions would you take if performing this experiment in the
laboratory?

During performance in the laboratory, we would take the following safety precautions.

 Wear safety gloves and mask because the gases may be reactive and dangerous for
health.
 Close all the valves carefully after doing the experiment and read the outlet concentration
carefully.

Q2) Suppose the amount of catalyst in the reactor was doubled (or halved). How would
that affect the kinetic parameters and the confidence limits?

When the amount of catalyst in the reactor is doubled, it may increase or decrease the
concentration of products depending upon the reaction conditions because catalyst move the
reaction in forward direction. Kinetic parameters changes with the temperature. At high
temperature rate constant increases while at low temperature equilibrium constants decreases.

Q3) For 5 g of catalyst in a 10-cm 3 reactor, what tube diameter would you recommend for
the reactor? What size catalyst particles would you use? Why? What could you do to make
the reactor isothermal?

We recommend the tube diameter is 2-3cm for given conditions. 0.001 to 0.01m pellet size of
catalyst are used. We make our process isothermal by using cooling jacket or heated sand bath.
For isothermal operation we need low conversion to get kinetic data.

Q4) Could this system be run as a differential reactor to determine kinetic parameters?

Yes we can use differential reactor to determine the reaction kinetics.

Q5) Suppose the catalyst was replaced with one that was 50 times more active. What issues
would be created by this change? What could you do to obtain kinetic data?

It gives the outlet concentration much faster as compared to other. We cannot handle the
conditions oof reactor and setup. There may be degrading of catalyst or does not product as we
required. To obtain the kinetic data, we use the catalyst that is suitable for our reaction and after
achieving the steady state, we can obtain kinetic data.

Q6) Suppose the reactor pressure was significantly increased. What advantage would this
provide? What problems would it create?

When the pressure of reactor increase it increase the temperature of reactor. When the pressure is
exceed above its limit, reactor my explode or damage.

Q7) What are the advantages and disadvantages of increasing the sampling loop volume?

By increasing the sampling loop volume, peak that are obtained in GC reaches its peak value
while when decreasing the sampling loop peak is at low value.
Q8) What problems arise if very low molar flow rates are fed to the reactor?

When the molar flowrates of reactor are very low, the gases cannot take part in reaction and
temperature of reactor increases which may also damage the reactor internals.

Q9) Why might you want to keep conversion low when gathering kinetic data using a
packed-bed reactor?

We want to keep the conversion low when gathering kinetic data using packed-bed reactor
because at low conversion because during the raw data we use time, composition and
temperature. We plot the data in terms of outlet mole fraction and time while keeping the third
term temperature constant.
References:
1. Packed-bed reactor. (1996). Grand Junction, CO: Rust Geotech, Incorporated.

2. Reaction engineering. (1998). Praha: Process Engineering Publisher.

3. Levenspiel, O. (2007). Chemical reaction engineering. New Delhi: Wiley India.

4. Chemical reaction engineering; proceedings. (1971). Oxford: Pergamon Press.

Appendix:
Properties Symbol Value Units

Ideal gas constant R 8.314 J/kmol.K

Pressure P 2 bar

Temperature T 573 K