(A) Example 8-1. (1) What Are - (2) What Would Have Been...

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Problem 2QP: Chapter: CH8 Problem: 2QP
(a) Example 8-1. (1) What are ? (2) What would have been the selectivity SB/XY and conversion, X, if
the reaction had been carried out in a single PFR with the same volume as the CSTR? (3) How would your answers
change if the pressure were increased by a factor of 100?
(b) Example 8-2. Make a table/list for each reactor shown in Figure 8-2, identifying all the types of reactions that would be
best carried out in this reactor. For example, Figure 8-2(d) Semibatch: used for (1) highly exothermic reactions and (2)
increase selectivity.
Essentials of Chemical
(c) Example 8-3. How would topt change if k1 = k2 = 0.25/h at 300 K?
Reaction Engineering
(1st Edition) Edit edition
(d) Example 8-4. (1) What are SB/C and YB? What CSTR operating temperature (with τ = 0.5s) would you recommend to
Problem 2QP from Chapter 8:
maximize B for CA0 = 5 mol/dm3, k1 = 0.4 s−1 and k2 = 0.01 s−1 with E1 = 10 kcal/mol and E2 = 20 kcal/mol ? [Hint: Plot
(a) Example 8-1. (1) What are? CB versus T.]
(2) What would have been the
...
with the equilibrium constant KC = 0.002 (dm3/mol)2.
Get solutions
(f) Example 8-6. Load the Living Example from the DVD-ROM (or from the Web). Explore the problem and describe what
Looking for the textbook? you nd. [Hint: Repeat (e).]
(g) Example 8-7. Load the Living Example from the DVD-ROM (or from the Web). Vary the ow rate to learn its effect on
selectivity. Feed A to B to learn how the selectivity varies.
(h) Example 8-8. Load the Living Example Problem from the DVD-ROM. (1) How would your answers change if FB0 =
2FA0? (2) If reaction (1) were A+2B → D with the rate law remaining the same?
(i) AspenTech Benzene Pyrolysis Example. (1) Change the activation energies to E1 = 28 kcal/mol and E2 = 32 kcal/mol,
run the AspenTech program and describe what you nd. Compare with original data. Repeat (1) by changing E1 = 32
kcal/mol and E2 = 28 kcal/mol and describe what you nd. (2) Double the reactor volume and compare the molar ow
rate pro les. Describe what you nd.
(j) DVD-ROM Example. PFR Mesitylene Reaction. Load the Living Example Problem from the DVD-ROM. (1) How would
your answers change if the feed were equal molar in hydrogen and mesitylene? (2) What is the effect of
?
(k) DVD-ROM Example. CSTR Mesitylene Reaction. Same question as P8-2(h)?
(l) Read Solved Blood Coagulation Problem. Load the Living Example Problem. (1) Plot out some of the other
concentrations, such as TF-VIIa and TF-VIIaX. (2) Why do the curves look the way they do? What reaction in the cascade is
most likely to be inhibited causing one to bleed to death? (3) What reactions if eliminated could cause one to die of a
blood clot? [Hint: Look at ATIIII and/or TFPI.]
(m) Web Module Living Example: Oscillating Reactions. Use the Living Example Polymath Program for oscillating
reactions on the DVD-ROM. For the (IO–) and (I) reactions set k1 = 0.0001/min−1 and for reaction (1) CP0 = 0.01 mol/dm3.
(1) What did you nd? Look at the linearized stability analysis on the DVD-ROM. (2) What factors affect the frequency and
onset of the oscillations? (3) Explore and write a paragraph describing what you nd. (4) Load the Living Example
Polymath Program for the BZ reaction. Vary the parameters and write a paragraph describing what you nd.
Example 8–1
Maximizing the Selectivity for the Famous Trambouze Reactions

Reactant A decomposes by three simultaneous reactions to form three products, one that is desired, B, and two that are
undesired, X and Y. These gas-phase reactions, along with the appropriate rate laws, are called the Trambouze reactions
[AIChE J., 5, 384].
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5/18/2019 (a) Example 8-1. (1) What are? (2) What would have been... | Chegg.com
The speci c reaction rates are given at 300 K and the activation energies for reactions (1), (2), and (3) are E1 = 10,000
kcal/mole, E2 = 15,000 kcal/mole, and E3 = 20,000 kcal/mole.
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(a) How and under what conditions (e.g., reactor type(s), temperature, concentrations) should the reaction be carried out
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to maximize the selectivity of species B for an entering concentration of species A of 0.4 M and a volumetric ow rate of
2.0 dm3/s?
(b) How could the conversion of B be increased and still keep selectivity relatively high?
Solution
Part (a)
The instantaneous selectivity of species B with respect to species X and Y is

(E8-1.1)
Plotting SB/XY vs. CA, we see that there is a maximum, as shown in Figure E8-1.1.
Figure E8-1.1 Selectivity as a function of the concentration of A.
As we can see, the selectivity reaches a maximum at a concentration , we differentiate . That is,
(E8-1.2)
Solving for ,
(E8-1.3)
We see from Figure E8-1.1 that the selectivity is indeed a maximum at
Therefore, to maximize the selectivity S is
(E8-1.4)
We now calculate the CSTR volume and conversion. The net rate of formation of A from reactions (1), (2), and (3) is
(E8-1.5)
Using Equation (E8-1.5) in the mole balance on a CSTR for this liquid-phase reaction (v = v0),
(E8-1.6)
(E8-1.7)
For an entering volumetric ow rate of 2 dm3/s, we must have a CSTR volume of 1564 dm3 to maximize the selectivity,
SB/XY.
Maximize the selectivity with respect to temperature

(E8-1.4)
(E8-1.8)
For the activation energies given in this example
So the selectivity for this combination of activation energies is independent of temperature!

What is the conversion of A in the CSTR?
Part (b)
If greater than 72% conversion of A is required, say 90%, then the CSTR operated with a reactor concentration of 0.112
mol/dm3 should be followed by a PFR because
the conversion will increase continuously as we move down the PFR [see Figure E8-1.2(b)]. However, as can be seen in
Figure E8-1.2, the concentration will decrease continuously from , as will the selectivity SB/XY as we move down the
PFR to an exit concentration CAf. Hence the system
would give the highest selectivity and least total reactor volume while forming more of the desired product B, beyond
what was formed at in a CSTR.
Figure E8-1.2 illustrates how as the conversion is increased above X* by adding the PFR reactor volume, however, the
selectivity decreases.
Figure E8-1.2 Effect of adding a PFR to increase conversion. (a) Reactor arrangement; (b) Selectivity and conversion
trajectories.
This calculation for the PFR is carried out on the DVD-ROM in Example 8-1. The results of this calculation show that at the
exit of the PFR, the molar ow rates are FX = 0.22 mol/s, FB = 0.32 mol/s, and FY = 0.18 mol/s corresponding to a
conversion of X = 0.9. The corresponding selectivity at a conversion of 90% is
Analysis: One now has to make a decision as to whether adding the PFR to increase the conversion of A from 0.72 to 0.9
and the molar ow rate of B from 0.26 to 0.32 mol/s is worth not only the added cost of the PFR, but also the decrease in
selectivity from 0.84 to 0.8. In this example we used the Trambouze reactions to show how to optimize the selectivity to
species B in a CSTR. Here, we found the optimal exit conditions (CA = 0.112 mol/dm3), conversion (X = 0.72) and
selectivity, (SB/XY = 0.84). The corresponding CSTR volume was V = 1564 dm3. If we wanted to increase the conversion to
90%, we could use a PFR to follow the CSTR, and nd that the selectivity decreased.
Example 8–2
Choice of Reactor and Conditions to Minimize Unwanted Products

For the parallel reactions
consider all possible combinations of reaction orders and select the reaction scheme that will maximize SD/U.
Solution
Case I: α1 > α2, β1 > β2. Let a = α1 −α2 and b = β1 − β2, where a and b are positive constants. Using these de nitions, we
can write Equation (8-16) in the form
(E8-2.1)
To maximize the ratio rD/rU, maintain the concentrations of both A and B as high as possible. To do this, use
• A tubular reactor [Figure 8-2(b)]
• A batch reactor [Figure 8-2(c)]
• High pressures (if gas phase), and reduce inerts
Case II: α1 > α2, β1<β2. Let a = α1 − α2 and b = β2 − β1, where a and b are positive constants. Using these de nitions, we
(E8-2.2)
To make SD/U as large as possible, we want to make the concentration of A high and the concentration of B low. To
achieve this result, use
• A semibatch reactor in which B is fed slowly into a large amount of A [Figure 8-2(d)]
• A membrane reactor or a tubular reactor with side streams of B continually fed to the reactor [Figure 8-2(f)]
• A series of small CSTRs with A fed only to the rst reactor and small amounts of B fed to each reactor. In this way B is
mostly consumed before the CSTR exit stream ows into the next reactor [Figure 8-2(h)]
Case III: α1<α2, β1<β2. Let a = α2 − α1 and b = β2 − β1, where a and b are positive constants. Using these de nitions, we
(E8-2.3)
To make SD/U as large as possible, the reaction should be carried out at low concentrations of A and of B. Use
• A CSTR [Figure 8-2(a)]

• A tubular reactor in which there is a large recycle ratio [Figure 8-2(i)]
• A feed diluted with inerts
• Low pressure (if gas phase)
Case IV: α1<α2, β1 > β2. Let a = α2 − α1 and b = β1 − β2, where a and b are positive constants. Using these de nitions, we
(E8-2.4)
To maximize SD/U, run the reaction at high concentrations of B and low concentrations of A. Use
• A semibatch reactor with A slowly fed to a large amount of B [Figure 8-2(e)]
• A membrane reactor or a tubular reactor with side streams of A [Figure 8-2(g)]
• A series of small CSTRs with fresh A fed to each reactor
Analysis: In this very important example we showed how to use the instantaneous selectivity, SD/U, to guide the selection
of the type of reactor and reactor system to maximize the selectivity with respect to the desired species D.
Example 8–3
Series Reactions in a Batch Reactor

The elementary liquid phase series reaction
is carried out in a batch reactor. The reaction is heated very rapidly to the reaction temperature where it is held at this
temperature until the time it is quenched.
(a) Plot and analyze the concentrations of species A, B, and C as a function of time.
(b) Calculate the time to quench the reaction when the concentration of B will be a maximum.
(c) What are the overall selectivity and yields at this quench time?
Additional Information
Solution
Part (a)
Number the reactions:
The preceding series reaction can be written as two reactions
1. Mole Balances:
2A. Mole Balance on A:
a. Mole Balance in terms of concentration for V = V0 becomes
(E8-3.1)
b. Rate law for Reaction 1: Reaction is elementary
(E8-3.2)
c. Combining the mole balance and rate law
(E8-3.3)
Integrating with the initial condition CA = CA0 at t = 0

(E8-3.4)
Solving for CA
(E8-3.5)
2B. Mole Balance on B:
a. Mole Balance for a constant volume batch reactor
(E8-3.6)
b. Rates: Rate Laws
Elementary reactions
(E8-3.7)
Relative Rates
Rate of formation of B in Reaction 1 equals the rate of disappearance of A in Reaction 1
(E8-3.8)
Net Rates
The net rate of reaction of B will be the rate of formation of B in reaction (1) plus the rate of formation of B in reaction (2)
(E8-3.9)
(E8-3.10)
c. Combining the mole balance and rate law
(E8-3.11)
Rearranging and substituting for CA

(E8-3.12)
Using the integrating factor gives
(E8-3.13)
At time t = 0, CB = 0. Solving Equation (E8-3.13) gives
(E8-3.14)
2C. Mole Balance on C:
The mole balance on C is similar to Equation (E8-3.1)

(E8-3.15)
The rate of formation of C is just the rate of disappearance of B in reaction (2), i.e., rC = −r2B = k2CB
(E8-3.16)
Substituting for CB
and integrating with CC = 0 at t = 0 gives
(E8-3.17)
Note that as t → • then CC = CA0 as expected. We also note the concentration of C, CC, could have been obtained more
easily from an overall balance.
(E8-3.18)
The concentration of A, B, and C are shown as a function of time below
Figure E8-3.1 Concentration trajectories in a batch reactor.
Part (b)
4. Optimum Yield
We note from Figure E8-3.1 that the concentration of B goes through a maximum. Consequently, to nd the maximum we
need to differentiate Equation E8-3.14 and set it to zero.
(E8-3.19)
Solving for tmax gives

(E8-3.20)
Substituting Equation (E8-3.20) into Equation (E8-3.5), we nd the concentration of A at the maximum for CB is
(E8-3.21)
(E8-3.22)
Similarly, the concentration of B at the maximum is

(E8-3.23)
5. Evaluate: For CA0 = 2 mol/dm3, k1 = 0.5h−1, and k2 = 0.2h−1 the concentrations as a function of time are:
Substituting in Equation (E8-3.20)
The time to quench the reaction is at 3.05h.
The concentration of C at the time we quench the reaction is

CC = CA0 − CA − CB = 2 − 0.44 − 1.07 = 0.49 mol/dm3
Part (c)
The selectivity is
The yield is
Analysis: In this example we applied our CRE algorithm for multiple reactions to the series reaction A → B → C. Here we
obtained an analytical solution to nd the time at which the concentration of the desired product B was a maximum and,
consequently, the time to quench the reaction. We also calculated the concentrations of A, B, and C at this time, along
with the selectivity and yield.
Example 8–4
Series Reaction in a CSTR

The reactions discussed in Example 8-3 are now to be carried out in a CSTR.
(a) Determine the exit concentrations from the CSTR.
(b) Find the value of the space time t that will maximize the concentration of B.
Solution
Part (a)
1. a. Mole Balance on A:
Dividing by v0, rearranging and recalling that τ = V/v0, we obtain

(E8-4.1)
b. Rates
The laws and net rates are the same as in Example 8-3.
(E8-4.2)
c. Combining the mole balance of A with the rate of disappearance of A
(E8-4.3)
Solving for CA
(E8-4.4)
We now use the same algorithm for Species B we did for Species A to solve for the concentration of B
2. a. Mole Balance on B:
Dividing by v0 and rearranging

(E8-4.5)
b. Rates
The laws and net rates are the same as in Example 8-3.
Net Rates
(E8-4.6)
c. Combine
(E8-4.7)
Substituting for CA
(E8-4.8)
3. Mole Balance on C:
(E8-4.9)
Rates
(E8-4.10)
Part (b) Optimum Concentration of B
To nd the maximum concentration of B, we set the differential of Equation (E8-4.8) with respect to τ equal to zero
Solving for t at which the concentration of B is a maximum at
(E8-4.11)
The exiting concentration of B at the optimum value of τ is
(E8-4.12)
Substituting Equation (E8-4.11) for τmax in Equation (E8-4.12)

(E8-4.13)
Rearranging we nd the concentration of B at the optimum space time is

(E8-4.14)
Evaluation
At τmax
The conversion is
The selectivity is
The yield is
, is 1.60 and the yield, , is 0.63. The conversion and selectivity are less for the CSTR than those for the batch reactor
at the time of quenching.
Example 8–5
Multiple Gas Phase Reactions in a PBR

The following complex gas phase reactions follow elementary rate laws
and take place isothermally in a PBR. The feed is equimolar in A and B with FA0 = 10 mol/min and the volumetric ow
rate is 100 dm3/min. The catalyst weight is 1,000 kg, the pressure drop is α = 0.0019 kg−1, and the total entering
concentration is CT0 = 0.2 mol/dm3.
Solution
Gas Phase PBR
Mole Balances
Rates
Net Rates
(E8-5.5)
(E8-5.6)
(E8-5.7)
(E8-5.8)
Rate Laws
(E8-5.9)
(E8-5.10)
Relative Rates
(E8-5.11)
(E8-5.12)
(E8-5.13)
(E8-5.14)
The net rates of reaction for species A, B, C and D are
Selectivity
At W = 0, FD = 0 causing SC/D to go to in nity. Therefore, we set SC/D = 0 between W = 0 and a very small number, W =
0.0001 kg to prevent the ODE solver from crashing. In Polymath this condition is written
(E8-5.15)
Stoichiometry Isothermal T = T0
Parameters
Typing the above equations into Polymath’s ODE solver, we obtain the following results in Table E8-5.1 and Figures E8-5.1
and E8-5.2.
Analysis: We note from Figure E8-5.2 that the selectivity reaches a maximum very close to the entrance (W ≈ 60 kg) and
then drops rapidly. However, 90% of A is not consumed until 200 kg, the catalyst weight at which the desired product C
reaches its maximum ow rate. If the activation energy for reaction (1) is greater than that for reaction (2), try increasing
the temperature to increase the molar ow rate of C and selectivity. However if that does not help, then one has to decide
which is more important, selectivity or the molar ow rate of the desired product. In the former case the PBR catalyst
weight will be 60 kg. In the latter case the PBR catalyst weight will be 200 kg.
Table E8-5.1 Polymath Program and Output
Figure E8-5.1 Molar Flow Rate Pro les
Figure E8-5.2 Selectivity Pro le
Example 8–6
Complex Reactions in a Liquid Phase CSTR

The complex reactions discussed in Example 8-5 now take place in the liquid phase in a 2,500 dm3 CSTR. The feed is
equimolar in A and B with FA0 = 200 mol/min and the volumetric ow rate is 100 dm3/min. The rate constants are
Find the concentrations of A, B, C, and D exiting the reactor, along with the exiting selectivity, .
Solution
Liquid Phase CSTR: v = v0 (Polymath Formulation)
Mole Balances
The Rate Laws, Relative Rates, and Net Rates are the same as in Example 8-5. In addition, Steps (5) through (14) [i.e.,
Equations (E8-5.5) through (E8-5.14) from Example 8-5] remain unchanged for this example. This fact is going to save us a
lot of time in solving this example problem.
Selectivity
Note: We add a very small number (0.001 mol/min) to the term in the denominator to prevent SC/D going to in nity when
FD = 0.
(E8-6.5)
Parameters
These equations are now used to solve for the exit concentrations using Polymath’s nonlinear equation solver.
Liquid Phase CSTR

Table E8-6.1 Polymath Program and Output
The exit concentrations are CA = 0.53 M, CB = 0.085 M, CC = 0.19 M, and CD = 0.25 M with . The
corresponding conversion of A is
Analysis: The CRE algorithm for a complex reaction carried out in a CSTR was solved using the non-linear equation solver.
The CSTR exit concentrations shown in ˜ the results table correspond to a selectivity ### = 0.75, as shown in the Polymath
report. While the CSTR conversion is reasonable, the selectivity is rather low. The PFR is a better choice for these reactions
to maximize selectivity.
Example 8–7
Complex Reactions in a Semibatch Reactor

The complex liquid phase reactions discussed in Example 8-6 now take place in a semibatch reactor where A is fed to B
with FA0 = 3 mol/min. The volumetric ow rate is 10 dm3/min and the initial reactor volume is 1,000 dm3. The rate
constants are
The maximum volume is 2,000 dm3. The inlet concentration of A is CA0 = 0.3 mol/ dm3 and the initial concentration of B
is CBi= 0.2 mol/dm3.
(a) Plot and analyze NA, NB, NC, ND and SC/D as a function of time.
Solution
Mole Balances
Net Rates, Rate Laws, and Relative Rates – are the same as Liquid Phase CSTR.
I.e., Steps (5) through (14) [Equations (E8-5.5) through (E8-5.14)].
Selectivity
Parameters
New Parameters
Putting this information into Polymath’s ODE solver, we obtain the following results.
Figure E8-7.1 Number of moles as a function of time.
Figure E8-7.2 Selectivity as a function of time.
Analysis: The CRE algorithm for a complex reaction was applied to a semibatch reactor and solved using the ODE solver
Polymath. The maximum in the selectivity occurs after only 6.5 minutes; however, very little of the desired product, C, has
been formed at this time. If ED > EU, rst try changing the temperature to see if that will improve the selectivity and the
amount of product formed. If that does not work, an economical decision needs to be made. Are selectivity and the cost
of separating C and D more important than making more C to sell?
One notes in Figure E8-7.1 that after 70 minutes, very little change in the number of moles of species A, C, and D takes
place; however, the number of moles of B continue to increase because it is continually fed and there isn’t sufficient A to
react with B. Finally, we note that these times, 6.5 and 10 minutes are far too short to use a semibatch reactor, and,
consequently, one should consider another reactor scheme such as Figure 8-2(g), where A is fed along the length of the
reactor, or analogous to that shown in Figure 8-2(h), where the A is fed to each of the CSTRs.
Example 8–8
Membrane Reactor to Improve Selectivity in Multiple Reactions

The reactions
take place in the gas phase. The overall selectivities, , are to be compared for a membrane reactor (MR) and a
conventional PFR. First, we use the instantaneous selectivity to determine which species should be fed through the
membrane
We see that to maximize SD/U we need to keep the concentration of A high and the concentration of B low; therefore, we
feed B through the membrane. The molar ow rate of A entering the reactor is 4 mol/s and that of B entering through the
membrane is 4 mol/s, as shown in Figure E8-8.1. For the PFR, B enters along with A.
Figure E8-8.1
he reactor volume is 50 dm3 and the entering total concentration is 0.8 mol/dm3.
(a) Plot and analyze the molar ow rates and the overall selectivity, , as a function of reactor volume for both the MR
and PFR.
Solution
Mole Balances for both the PFR and the MR
Net Rates and Rate Laws (same for PFR and MR)
Transport Law (MR)
  Textbook Solutions
The volumetric ow rateExpert
throughQ&A Search Law (see Chapter 6):
the membrane is given by Darcy’s  Sign in More 
(E8-8.9)
where are the shell side and tube side pressures, and At is the membrane surface area
(m2). The ow rate through the membrane can be controlled by pressure drop across the membrane (Ps – Pt). Recall from
Equation (6-5) that “a” is the membrane surface area per unit volume of reactor,
(E8-8.10)
The total molar ow rate of B through the sides of the reactor is
(E8-8.11)
The molar ow rate of B per unit volume of reactor is

(E8-8.12)
Stoichiometry (same for PFR and MR)
Isothermal (T = T0) and neglect pressure drop down the length of the reactor
(P = P0, y = 1.0)
For no pressure drop down the length of the reactor and isothermal operation, the concentrations for both the PFR and
MR are
Combine
The Polymath Program will combine the mole balance, net rates, and stoichiometric equations to solve for the molar ow
rate and selectivity pro les for both the conventional PFR and the MR and also the selectivity pro le.
A note of caution on calculating the overall selectivity

(E8-8.17)
We have to fool Polymath because at the entrance of the reactor FU = 0. Polymath will look at Equation (E8-8.17) and will
not run because it will say you are dividing by zero. Therefore, we need to add a very small number to the denominator,
say 0.0001 mol/s; that is,
(E8-8.18)
Table E8-8.1 shows the Polymath program and report sheet.

Table E8-8.1 Polymath Program
We can easily modify the program, Table E8-8.1, for the PFR simply by setting RB equal to zero (RB = 0) and the initial
condition for B to be 4.0.
Figures E8-8.2(a) and E8-8.2(b) show the molar ow rate pro les for the con-
Figure E8-8.2 Molar ow rates.
Figures E8-8.3(a) and E8-8.3(b) show the selectivity for the PFR and MR. One notices the enormous enhancement in
selectivity the MR has over the PFR.
Figure E8-8.3 Selectivity.
Be sure to load this living example problem from the DVD-ROM and play with the reactions and reactors. With minor
modi cations, you can explore reactions analogous to partial oxidations
where oxygen (B) is fed through the side of the membrane. See Problem P8-15C.
Analysis: One notes that A is consumed more rapidly in the PFR than in the side-fed MR and that more of the desired
product is also formed in the PFR. However, the selectivity is much higher in the MR than the PFR. One also notes, when
comparing the molar ow rates, that the rates in the side-fed MR continue to change signi cantly after 30 dm3 down the
reactor, while those in the PFR do not change signi cantly after 30 dm3.
Step-by-step solution:
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Corresponding Textbook
Essentials of Chemical Reaction Engineering | 1st Edition

ISBN-13: 9780132317160 This is an alternate ISBN. View the
ISBN: 0132317168 primary ISBN for: Essentials of Chemical
Reaction Engineering 1st Edition
Authors: H Scott Fogler
Textbook Solutions
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(k) DVD-ROM Example. CSTR Mesitylene Reaction. Same question as P8-2(h)?

Maximizing the Selectivity for the Famous Trambouze Reactions

The instantaneous selectivity of species B with respect to species X and Y is

Figure E8-1.1 Selectivity as a function of the concentration of A.

We see from Figure E8-1.1 that the selectivity is indeed a maximum at

Therefore, to maximize the selectivity S is

Maximize the selectivity with respect to temperature

For the activation energies given in this example

So the selectivity for this combination of activation energies is independent of temperature!

Choice of Reactor and Conditions to Minimize Unwanted Products

• A tubular reactor [Figure 8-2(b)]

• A batch reactor [Figure 8-2(c)]

• High pressures (if gas phase), and reduce inerts

• A CSTR [Figure 8-2(a)]

• A feed diluted with inerts

• Low pressure (if gas phase)

• A membrane reactor or a tubular reactor with side streams of A [Figure 8-2(g)]

• A series of small CSTRs with fresh A fed to each reactor

Series Reactions in a Batch Reactor

Number the reactions:

The preceding series reaction can be written as two reactions

2A. Mole Balance on A:

a. Mole Balance in terms of concentration for V = V0 becomes

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b. Rate law for Reaction 1: Reaction is elementary

c. Combining the mole balance and rate law

Integrating with the initial condition CA = CA0 at t = 0

2B. Mole Balance on B:

a. Mole Balance for a constant volume batch reactor

b. Rates: Rate Laws

Rate of formation of B in Reaction 1 equals the rate of disappearance of A in Reaction 1

c. Combining the mole balance and rate law

Rearranging and substituting for CA

Using the integrating factor gives

At time t = 0, CB = 0. Solving Equation (E8-3.13) gives

2C. Mole Balance on C:

The mole balance on C is similar to Equation (E8-3.1)

and integrating with CC = 0 at t = 0 gives

The concentration of A, B, and C are shown as a function of time below

Figure E8-3.1 Concentration trajectories in a batch reactor.

Solving for tmax gives

Similarly, the concentration of B at the maximum is

Substituting in Equation (E8-3.20)

The time to quench the reaction is at 3.05h.

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The concentration of C at the time we quench the reaction is

Series Reaction in a CSTR

(a) Determine the exit concentrations from the CSTR.

Dividing by v0, rearranging and recalling that τ = V/v0, we obtain

c. Combining the mole balance of A with the rate of disappearance of A

Dividing by v0 and rearranging

Part (b) Optimum Concentration of B

Solving for t at which the concentration of B is a maximum at

The exiting concentration of B at the optimum value of τ is

Substituting Equation (E8-4.11) for τmax in Equation (E8-4.12)

Rearranging we nd the concentration of B at the optimum space time is

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Multiple Gas Phase Reactions in a PBR

Gas Phase PBR

The net rates of reaction for species A, B, C and D are