Department of Chemical and Biomolecular Engineering

CN2105 Reaction Engineering

Assignment 2

Prof Ning Yan, 2023/2024 Sem 2

 2

Categories of Questions

I. Design equations for batch, CSTR, PFR and other types of reactors
II. Stoichiometric table analysis
III. Combined use of design equations (batch, CSTR and PFR) and stoichiometric table analysis
(most important for this unit)
IV. Space time and space velocity
 3

Definition of conversion in batch and flow reactors

0 F
V V

Constant density Constant density

 4

Question 1 (II)
10 mol% of A in nitrogen (inert) at 100 °C and 2 atm enters an isothermal open tubular reactor operating at 300 °C,
where the following gas phase reaction occurs:
A → 2B
The reactor was designed to convert at least 50% of A entering the reactor. A technician sampling the reactor exit gas
reported ~10 mol% of B in the leaving gas mixture. There is a 10% pressure drop across the reactor. Does the reactor
operate as per the design specification?
Solutions: method 1
Assume F0 mol of gas enters the reactor per unit time.
It includes 0.1F0 mol A and 0.9F0 mol inert gas.

Under steady state, the reactor exit has 0.1F0(1 − xA) mol A, 0.9F0 mol inert gas and 0.2F0xA mol B.

Given B is 10 mol% in the exit:

0.2𝐹 𝑥 0.2𝑥
= 10% = 10% 𝑥 = 0.526
0.1𝐹 (1 − 𝑥A) + 0.9𝐹 + 0.2𝐹 𝑥 0.1 (1 − 𝑥A) + 0.9 + 0.2𝑥
 5

Question 1 (II) (continued)

Method 2: Stoichiometric table analysis

Species Inflow ∆ Outflow

A FA0 −FA0xA FA0 − FA0xA
B 0 2FA0xA 2FA0xA
Inert FI0 0 FI0
Total F0 = FA0 + FI0 F = FA0 + FA0xA + FI0
= F0 + FA0xA

𝐹
In the inlet, A is 10 mol%: = 10%
𝐹
2𝐹 𝑥
In the outlet, B is 10 mol%: = 10%
𝐹 +𝐹 𝑥
𝐹
2 𝑥
𝐹 2(0.1)𝑥
Divide every term by F0: = 10% = 0.1 𝑥 = 0.526
𝐹 1 + 0.1𝑥
1+ 𝑥
𝐹
 6

Question 2 (II)
Consider the following reactions in diluted aqueous phase in a batch reactor:
A+ B →R
R+B→S
The feed contains only A and B. Prove the following concentration relations after a finite time into the reactions.
𝑐 𝑐 𝑐
=1− −
𝑐 𝑐 𝑐

𝑐 2(𝑐 −𝑐 ) 𝑐 −𝑐
= +
𝑐 𝑐 𝑐
Are these relations still valid if the reactions are gas phase reactions in a batch reactor?

Solutions:
𝑐 𝑐 𝑐
=1− − 𝑐 =𝑐 −𝑐 −𝑐 𝑐 +𝑐 +𝑐 =𝑐
𝑐 𝑐 𝑐

𝑐 2(𝑐 −𝑐 ) 𝑐 −𝑐
= + 𝑐 = 2(𝑐 −𝑐 )+𝑐 −𝑐 𝑐 + 2𝑐 − 𝑐 = 2𝑐 −𝑐
𝑐 𝑐 𝑐
 7

Question 2 (II) (continued)

A + B → R (molar extent 𝜉 = 𝛼) Species Initial ∆ Final

R + B → S (molar extent 𝜉 = 𝛽) A NA0 −𝛼 NA0 − 𝛼

B NB0 −𝛼 − 𝛽 NB0 − 𝛼 − 𝛽
R 0 𝛼−𝛽 𝛼−𝛽
S 0 𝛽 𝛽
Total NA0 + NB0 NA0 + NB0 − 𝜶 − 𝜷

𝑁 + 𝑁 + 𝑁 = (𝑁 − 𝛼) + (𝛼 − 𝛽) + 𝛽 = 𝑁

Division by V0: + + =

For a constant density system: 𝑐 + 𝑐 + 𝑐 = 𝑐 or =1− −

Similarly: 𝑁 + 2𝑁 − 𝑁 = (𝛼 − 𝛽) + 2(𝑁 − 𝛼) − (𝑁 − 𝛼 − 𝛽) = 2𝑁 −𝑁
Division by V0 throughout and assuming a constant density reaction system: 𝑐 + 2𝑐 − 𝑐 = 2𝑐 −𝑐
The total number of moles is not conserved, so the concentration relationships will only hold for a constant density
reacting system.
For gas phase reactions in a batch reactor, the density is constant, so the relations still hold.
 8

Question 3 (III)
The gas phase reaction A + B → R + 2S is run in a PFR with a feed where B is present in excess of the stoichiometric
requirement (cA0 = 1 mol/L and cB0 = 2 mol/L). What is the maximum concentration of R possible at the reactor outlet?

Wrong Solutions: Solutions: 𝐹

𝜃 = =0
𝜈 𝐹
Maximum concentration of R is 𝜃 − 𝑥
𝜈 𝑐 𝑥
achieved when A is fully consumed 𝑐 = 𝑐 𝜈 𝑐 =
1+𝜀 𝑥 =− 1 1+𝜀 𝑥
𝜈
That is 𝑥 =1
cR = 1 mol/L 𝐹 −1 − 1 + 1 + 2 1 1 𝑐 𝑥 𝑐
At outlet: 𝜀 =𝛿 = × = 𝑐 = =
𝐹 1 3 3 1 1 1
1+ 𝑥 +
Why is this wrong? 3 𝑥 3
1 1 1 𝑐
𝑥 +
𝑥 𝑥 3 1 1
+
𝑥 3
So, 𝑐 increases monotonically with increasing 𝑥 :
1×1
𝑥 =1 𝑐 = = 0.75 mol/L
1
1+ ×1
3
 9

Question 3 (III)
The gas phase reaction A + B → R + 2S is run in a PFR with a feed where B is present in excess of the stoichiometric
requirement (cA0 = 1 mol/L and cB0 = 2 mol/L). What is the maximum concentration of R possible at the reactor outlet?

An alternative solutions: stoichiometric table

Species Inflow ∆ Outflow
A FA0 −FA0xA FA0 − FA0xA
B 2FA0 −FA0xA 2FA0 − FA0xA
R 0 0 FA0xA
S 0 2FA0xA
Total 3FA0 F = 3FA0 + FA0xA

𝐹 𝑥 𝑥 1 3 3 1
Molar percentage of R: = = 𝑥 +1
3𝐹 + 𝐹 𝑥 3+𝑥 3 𝑥 𝑥 3
+1 +1
𝑥 𝑥
Maximum molar percentage of R is achieved at 𝑥 = 1. That is, 25%

𝑁 𝑝 𝑚𝑜𝑙 2𝑚𝑜𝑙
𝑝𝑉 = 𝑁𝑅𝑇 𝑐 = = = 𝑐𝑜𝑛𝑠𝑡𝑎𝑛𝑡. = 1 + = 3 𝑚𝑜𝑙/𝐿 𝑐 = 25% × 3 = 0.75 mol/L
𝑉 𝑅𝑇 𝐿 𝐿
 10

Question 4 (III)
A gas phase reaction A → 2B with k = 0.5 h−1 is carried out in a (batch) piston reactor at constant temperature and
pressure. 1 mole of A and 9 moles of inert are introduced to the reactor at the start of the reaction. What is the
composition of the gas in the reactor after 1 hour?

Analysis: Species t=0 ∆ t=1h

Construct stoichiometric table (left). Notice we need to find 𝑥 . A 1 −𝑥 1−𝑥
How to find 𝑥 ? Normally by kinetic equations! B 0 2𝑥 2𝑥
I 9 0 9
What is the order of reaction? Deduce from the unit of k.
Total 10 10 + 𝒙𝐀
Solutions:
𝑁
Design equation for batch reactor (integral form): (𝑥 = 1 − )
𝑁

0 0 0 0 0

( ) 1−𝑥 =𝑒 / 𝑥 = 0.393
0
 11

Question 4 (III)
Based on stoichiometric table, gas composition at 1 h:
𝑁 = 1 − 𝑥 = 1 − 0.393 = 0.607 mol
𝑁 = 2𝑥 = 2 × 0.393 = 0.786 mol
𝑁 = 9 mol

Alternative solution based on differential form:

1 𝑑𝑁 1 𝑑𝑁 1 𝑑𝑁 𝑁
Design equation for batch reactor: =𝑟 𝑟 = −𝑘𝑐 = −𝑘𝑐 =− 𝑘
𝑉 𝑑𝑡 𝑉 𝑑𝑡 𝑉 𝑑𝑡 𝑉

𝑑𝑁 𝑑𝑁
=− 𝑘𝑁 =− 𝑘𝑑𝑡
𝑑𝑡 𝑁

𝑡
𝑑𝑁 𝑁 𝑁 . ×
Integrate: = −𝑘𝑑𝑡 ln =− 𝑘𝑡 𝑥 =1− =1−𝑒 =𝑒 = 0.393
𝑁 0 𝑁 𝑁
 12

Question 5 (III)
At 650 °C, phosphine vapour decomposes as follows:
xA= 0.75
4PH3 → P4(g) + 6H2(g) rPH3 = −kcPH3 FA0 = 10 mol/h
where k = 10 h−1. What size of PFR operating at 649 °C and 11.4 atm is T = 649 ℃
needed for 75% conversion of 10 mol/h of phosphine in a feed with P = 11.4 atm
V=?
phosphine-inert ratio of 2:1?
Analysis:
𝑑𝑥 𝜈
𝜃 −
𝑥
𝑉=𝐹 𝜈
0 −𝑟 𝑐 = 𝑐
1+𝜀 𝑥
First replace 𝑟 by 𝑐 , then replace 𝑐 by 𝑥 .
Solutions:
𝐹 −4 + 1 + 6 2 𝑃 11.4 × 1.013 × 10 2
𝜀 =𝛿 = × = 0.5 𝑐 = = = 150 mol/m 𝑐 = 𝑐 = 100 mol/m
𝐹 4 2+1 𝑅 𝑇 8.314 × (273 + 649) 3
1−𝑥 1−𝑥
𝑐 = 𝑐 = × 100
1+𝜀 𝑥 1 + 0.5𝑥
0.75 0.75
𝑑𝑥 𝑑𝑥 1 + 0.5𝑥
𝑉=𝐹 = 10 = 𝑑𝑥
0 −𝑟 0 10𝑐 0 (1 − 𝑥 ) × 100
Pay attention to the sign
 13

Question 5 (III) (continued)

Solve it by software or by hand. For the latter, see below:

0.75 0.75 0.75

1 1 + 0.5𝑥 1 1.5 − 0.5(1 − 𝑥 ) 1 1.5
𝑉= 𝑑𝑥 = 𝑑𝑥 = ( − 0.5)𝑑𝑥
100 0 1−𝑥 100 0 1−𝑥 100 0 1−𝑥

0.75 0.75
1 1.5 1 1.5 1 − 0.75 1
= 𝑑𝑥 − 0.5𝑑𝑥 =− ln − (0.5 × 0.75 − 0.5 × 0) = 0.017 m = 17 L
100 0 1−𝑥 100 0 100 1−0 100
 14

Question 6 (I)
A stream of aqueous monomer A (1 mol/L, 4 L/min) enters a 2 L CSTR, is radiated therein and polymerises as follows:
+A +A +A
A→ R→ S→ T…

In the exit stream, 𝑐 = 0.01 mol/L and, for a particular reaction product W (a polymer), 𝑐 = 0.0002 mol/L. Find the
rate of reaction of A and the rate of reaction of W. Assume volume change is insignificant.

Solutions:
Applying the CSTR design equation assuming constant density (diluted Fi0 Fi
aqueous solution): V
𝐹 𝑥
Design equation: 𝑉 =
−𝑟
We know V, FA0 and xA so we can find rA:
𝐹 𝑥 (1 × 4) × (1 − 0.01)
𝑟 =− =− =− 1.98 mol L min
𝑉 2
For product, we use mole balance equation: 𝐹 +𝑟 𝑉=𝐹

𝐹 −𝐹 𝑣 (𝑐 − 𝑐 ) 4 × (0.0002 − 0)
𝑟 = = = = 0.0004 mol L min
𝑉 𝑉 2
 15

Question 7 (I)
Consider the following variation to PFR where the feed to the reactor
is distributed uniformly along the reactor length (at α mol h −1
m3reactor). Derive the design equation from the general mole balance
equation.
Hint: Apply the mole balance equation to ΔV, a differential element
of the reactor. Integration of the differential form of the mole balance
equation yields the design equation.
Solutions:
Inflow + Rate of generation = Outflow + Rate of accumulation
Consider the mole balance of A (or any species) over a differential element of volume ΔV:
𝐹 | + 𝛼∆ 𝑉 + 𝑟 ∆𝑉 = 𝐹 | ∆

𝑑𝑓
Taylor’s Expansion: 𝑓(𝑥 + ∆𝑥) = 𝑓(𝑥) + ∆𝑥
𝑑𝑥
𝑑 𝑑𝐹
Substitute 𝐹 | ∆ =𝐹 | + ∆𝑉 =𝑟 +𝛼
𝑑𝑉 𝑑𝑉
𝑑𝐹
𝑉=
0 𝑟 +𝛼
 16

Question 8 (I)
.
An irreversible aqueous phase reaction A → products with the rate law 𝑟 =− (with −rA in mol L−1 min−1 and
1+0.6
cA in mol/L) is run in a PFR. A is delivered to the reactor at a concentration of 1.2 mol/L and a volumetric flow rate of
0.7 L/min. Plot the concentration profile along the length of reactor and, from which, determine the volume required for
at least 95% conversion of the feed.
Solutions: This equation is best solved with a computational software such as MATLAB or
Polymath. The following is the concentration profile obtained using Polymath:
Use PFR design equation:
1.5
= 𝑟 =− (1)
𝑑𝑉 1+0.6

𝐹 =𝑐 𝑣 (2)

Combining (1) and (2):

𝑑(𝑐 𝑣) 1.5𝑐
=−
𝑑𝑉 1 + 0.6𝑐
For constant density reaction
system, v = v0:
𝑑𝑐 1.5𝑐
=− V n e e d e d f o r 9 5 % c o n v e r s i o n , w h e r e 𝑐 = 𝑐 (1 − 𝑥 ) = 1.2(1 − 0.95) =
𝑑𝑉 𝑣 (1 + 0.6𝑐 )
0.06 mol/L, can be read from the table or the graph as ~1.6 L.
 17

Question 9 (I)
For a liquid phase reaction between A and B in a semi-batch reactor (where A is initially present in the reactor while B
is fed through the inlet), the design equations describing the variations of concentrations of A and B have been derived
during the lectures. Derive the corresponding design equation governing the concentration of product C. Write down
the appropriate initial conditions.

Solutions:
A+B→C
Mole balance for C (no inflow and outflow, well-mixed reactor contents):
𝑑 𝑑( 𝑉) 𝑑𝑉 𝑑
𝑟 𝑉= = =𝑐 +𝑉 (1)
𝑑𝑡 𝑑𝑡 𝑑𝑡 𝑑𝑡

𝑑𝑉 v0, cB0
=𝑣 (2)
𝑑𝑡 V, cA, cB, cC
𝑑𝑐
Combining (1) and (2): 𝑟 𝑉=𝑣 𝑐 +𝑉
𝑑𝑡
𝑑𝑐 𝑣 𝑐 𝑣 𝑐
=𝑟 − =𝑟 − (𝑟 =− 𝑟 =− 𝑟 )
𝑑𝑡 𝑉 𝑉 +𝑣 𝑡

Initial conditions: at t = 0, cA = cA0, cB = 0, cC = 0.

 18

Question 10 (II)
Steam reforming of methane (SRM) is a high temperature (700-1000 °C) catalytic reaction for producing hydrogen by
splitting water. The product is a mixture of CO and H2 generally known as the synthesis gas:
CH4 + H2O → CO + 3H2
The water-gas shift (WGS) reaction also occurs under the steam reforming conditions:
CO + H2O → CO2 + H2
With the help of a stoichiometric table, discuss the effect of WGS on hydrogen production for the following two cases:
(a) Methane as the limiting reactant while water is in large excess in the SRM reaction
(b) Water as the limiting reactant in the SRM reaction
With the help of a stoichiometric table, show how the concentrations of all reaction species may be calculated from the
process variables (temperature, pressure and feed composition) in terms of the conversions of methane and water.
 19

Question 10 (II) (solution)

Solutions:
CH (𝐀) + H O(𝐁) → CO(𝐂) + 3H (𝐃) 𝜉 =𝛼
CO(𝐂) + H O(𝐁) → CO (𝐄) + H (𝐃) 𝜉 =𝛽
Species In ∆ Out
A FA0 −𝛼 FA0 − 𝛼
B FB0 −𝛼 − 𝛽 FB0 − 𝛼 − 𝛽
C 0 𝛼−𝛽 𝛼−𝛽
D 0 3𝛼 + 𝛽 3𝛼 + 𝛽
E 0 𝛽 𝛽
Total FA0 + FB0 FA0 + FB0 + 2𝜶
For H2 production: 𝐹 = 3𝛼 + 𝛽
If methane is the limiting reactant: 𝐹 = 𝐹 −𝛼=0⇒𝛼=𝐹
𝐹 = 3𝐹 +𝛽
Having WGS (𝛽 > 0) would increase H2 production.
The maximum value occurs when all intermediate CO is reacted: 𝐹 = 𝛼 − 𝛽 = 0 ⇒ 𝛽 = 𝛼 = 𝐹
𝐹 = 4𝐹
 20

Question 10 (II) (continued)

If water is the limiting reactant: 𝐹 = 𝐹 −𝛼−𝛽=0⇒𝐹 =𝛼+𝛽
𝐹 = 3𝛼 + 𝛽 = 3𝐹 − 2𝛽

This value is greatest if there is no WGS reaction (𝛽 = 0).

Water is the oxidising agent and is more productive in oxidising CH4 in SMR than oxidising CO in WGS, resulting in 3
moles H2 per mole of H2O in the former vs 1 mole of H2 per mole of H2O in the latter.
𝐹 𝐹 𝐹 𝐹 𝐹 𝛼 𝛼+𝛽
𝑐 = ,𝑐 = ,𝑐 = ,𝑐 = ,𝑐 = 𝑥 = 𝑥 =
𝑣 𝑣 𝑣 𝑣 𝑣 𝐹 𝐹
where the values of FA, FB, FC, FD and FE are calculated from the entries in the last column of the stoichiometric table.
Given the T and P, v can be calculated from the equation of state (EOS):
𝐹
𝑃𝑉 = 𝑁𝑅 𝑇 𝑃 = 𝑐𝑅 𝑇 𝑃= 𝑅 𝑇
𝑣
𝐹 𝐹 + 𝐹 + 2𝛼 𝐹 + 𝐹 + 2𝑥 𝐹
𝑣= 𝑅 𝑇= 𝑅 𝑇= 𝑅 𝑇
𝑃 𝑃 𝑃
𝐹
𝑐 =
𝑣
(𝐹 − 𝑥 𝐹 )𝑃
=
cB, cC, (c𝐹D and+ c𝐹E can
+ be
2𝑥expressed
𝐹 )𝑅 𝑇in a similar way.
 21

Question 11 (II)
Identify the correct statement below after carrying out a stoichiometric table analysis of the following methane coupling
reactions in a flow reactor:
1
2CH4 + O2 ⇌ C2H6 + H2O (1)
2
CH4 + 2O2 → CO2 + 2H2O (2)
(a) This is always an expanding reaction system.
(b) This is always a contracting reaction system.
(c) This is an expanding reaction system if the molar extent of reaction (1) is greater than the molar extent of reaction (2).
(d) This is a contracting reaction system if the molar extent of reaction (2) is greater than the molar extent of reaction (1).
Solutions: Species In Out
Setup the stoichiometric table. Let α and β be the net molar A (CH4) FA0 FA0 – 2α – β
extents of reactions (1) and (2) respectively.
B (O2) FB0 FB0 – 0.5α – 2β
C (C2H6) FC0 FC0 + α
Since α > 0, F < F0 always.
D (H2O) FD0 FD0 + α + 2β
E (CO2) FE0 FE0 + β
In this particular case, the stoichiometric table is not needed.
Reaction 1 is contracting while reaction 2 is volume-conserving. Inert FI0 FI0
Overall it must be contracting. Total F0 F0 – 0.5α
 22

Question 12 (III)
A 20% ozone-80% air mixture at 1.5 atm and 93 °C is delivered to a PFR at 1 L/s. Under these conditions, ozone
decomposes by the homogeneous reaction:
2O3 → 3O2
𝑅 = 𝑘𝑐 where k = 0.025 L mol−1 s−1

What reactor size is needed for 50% decomposition of ozone?

Analysis:

The design equation for PFR contains the V term.

𝑑𝑥
For PFR: 𝑉=𝐹
0 −𝑟

1) Find out the expression of − 𝑟 as a function of 𝑐 .

2) Rearrange the rate equation to express − 𝑟 as a function of 𝑥 .

3) Work on the integration. Done!

 23

Question 12 (III) (continued)

Solutions:
2A → 3B 𝑟 =− 2𝑅 =− 2 × 0.025𝑐 = 0.05𝑐
𝑐 (1 − 𝑥 ) 𝑁 𝑝 0.2 × 1.5 × 1.013 × 10
𝑐 = 𝑐 = = = = 10 mol/m
1+𝜀 𝑥 𝑉 𝑅 𝑇 8.314 × (273 + 93)
𝑑𝑥 𝑑𝑥 𝐹 =𝑣 ×𝑐 = 0.001 × 10 = 0.01 mol/s
𝑉=𝐹 =𝐹
0 −𝑟 0 𝑘𝑐 𝐹 −2 + 3 20
𝑑𝑥 𝜀 =𝛿 = × = 0.1
=𝐹 𝐹 2 100
0 𝑘𝑐 (1 − 𝑥 )
(1 + 𝜀 𝑥 ) 𝑘 = 0.05 L mol−1 s−1 = 5 × 10 m mol−1 s−1
Substituting all known values and using numerical integration:
0.5
𝑑𝑥
𝑉 = 0.01 = 2.125 m
0 0.005(1 − 𝑥 )
(1 + 0.1𝑥 )

Alternatively, Equation 23 on p. 112 of OL gives the integral:

𝑉
𝑣 𝑥
= 2𝜀 (1 + 𝜀 ) ln (1 − 𝑥 ) + 𝜀 𝑥 + (1 + 𝜀 )
𝑘𝑐 1−𝑥
Not recommended for modern engineers!
 24

Question 13 (III)
The gas phase reaction A → B + C is run at constant temperature and pressure in a PFR. The feed is pure A at cA0 = 1
mol/L and the concentration of B in the reactor exit gas is cB = 0.45 mol/L. What is the composition of the reactor exit
gas?
Solutions: 𝑐 =
(1− )
(1) Species In Out
1+

𝑐 = (2) A FA0 FA0 − 𝛼

Given A → B + C (gas phase) 1+
B 0 𝛼
𝑐 = (3)
1+ C 0 𝛼
𝐹 −1 + 1 + 1
𝜀 =𝛿 = ×1 =1 Total F0 = FA0 F = FA0 + 𝜶
𝐹 1
𝑥 0.45
Substituting cB = 0.45, cA0 = 1, 𝜀 = 1 to (2): 0.45 = 𝑥 = = 0.818
1+𝑥 0.55
1 − 0.818 0.818
Substituting xA = 0.818, cA0 = 1, 𝜀 = 1 to (1) and (3): 𝑐 = = 0.1 mol/L 𝑐 = = 0.45 mol/L
1 + 0.818 1 + 0.818

Alternative solutions: Clearly, cC = cB = 0.45 mol/L

𝑁 𝑝 𝑝
For gas phase reactions at constant T and P, the sum of concentrations is conserved: 𝑝𝑉 = 𝑁𝑅 𝑇 = 𝑐=
𝑉 𝑅 𝑇 𝑅 𝑇
With cB = cC = 0.45 mol/L, cA = 1 − 0.45 × 2 = 0.1 mol/L
 25

Question 14 (III)
Consider an isothermal single-phase reactor operating at steady state and constant pressure. Given the reaction A + 2B
⇌ R and a gaseous feed of cA0 = cB0 = 100, cB = 20. Find xA and xB.
Solutions: Species In ∆ Out
Setup the stoichiometric table on the right.
A FA0 −FA0xA FA0 − FA0xA
(Batch reactor or flow reactor?)
𝜈 B FB0 −2FA0xA FB0 − 2FA0xA
𝜃 − 𝑥
𝜈
Note: 𝑐 = 𝑐 R 0 FA0xA FA0xA
1+𝜀 𝑥
Total F0 = FA0 + FB0 F = FA0 + FB0 − 2FA0xA
𝐹 𝐹 𝜈
𝜃 = =1 𝜃 = =1 =2
𝐹 𝐹 𝜈
𝐹 −1 − 2 + 1 100
𝜀 =𝛿 = × =− 1
𝐹 1 100 + 100
1−𝑥
For A: 𝑐 = 𝑐 =𝑐 = 100
1−𝑥
1 − 2𝑥
For B: 𝑐 = 𝑐 = 20 ⇒ 𝑥 = 0.444
1−𝑥
𝐹 𝐹 − 2𝐹 𝑥 100 − 2 × 100 × 0.444
𝑥 =1− =1− =1− = 0.888
𝐹 𝐹 100
 26

Question 15 (IV)
Consider a gas-phase reaction 2A → R + 2S with unknown kinetics. If a space velocity of l min−1 (based on the inlet
flow rate at process conditions) is needed for 90% conversion of A in a PFR, find the corresponding space time and
mean residence time of fluid in the PFR. What if this is a liquid-phase reaction?
Analysis:
𝑉
Space time: 𝜏 = time necessary to process one reactor volume of fluid based on the inlet conditions
𝑣
𝑣 1
Space velocity: 𝑆𝑉 = if v0 is used to calculate SV, the value obtained is equal to
𝑉 𝜏
𝑉 𝑑
Mean residence time: actual time spent in the reactor For CSTR: 𝑅𝑇 = For PFR: 𝑅𝑇 = 𝐹 ∫0 )
𝑣(−

Solutions:
1
𝜏= = 1 min
𝑆𝑉

𝑅𝑇 = 𝐹 ∫0 cannot be determined if the rate law is not given.

𝑣( )

For liquid-phase reactions, density is constant: 𝑅𝑇 = 𝜏 = 1 min

 27

Question 16 (beyond this unit)

The data in the table have been obtained on the decomposition of
gaseous reactant A in a constant volume batch reactor at 100 °C.
The stoichiometry of the reaction is 2A → R + S. What size of
CSTR (in L) operating at 100 °C and 1 atm can treat 100 mol/h of A
in a feed consisting of 20% inerts to obtain 95% conversion of A?

Analysis:
Based on the kinetic data obtained in constant volume batch reactor, we can obtain rate law. Since rate law is specific to
nature of reaction, concentration and temperature, but not related to the type of reactor, we can use the same rate law to
solve the design equation to get V for CSTR.
𝐹 𝑥
𝑉=
−𝑟
Solutions:
Kinetic analysis suggests it is a first
order reaction:
𝑟 =− 0.0095𝑐
 28

Question 16 (beyond this unit)

𝐹
𝜀 =𝛿 =0
𝐹

1−𝑥
𝑐 = 𝑐 = (1 − 𝑥 ) × 32.67 × 0.8
1+𝜀 𝑥
20% inert in feed
Data from Excel
100
𝐹 𝑥 𝐹 𝑥 × 0.95
𝑉= = = 3600 = 2.13 m
−𝑟 0.0095𝑐 0.0095 × (1 − 0.95) × 32.67 × 0.8