CHE 402

Kinetics & Reactor

Design

Dr. Eid Al-Mutairi

Chapter 2:
Conversion and Reactor
Sizing

Dr. Eid Al-Mutairi

 CHE 402- Dr. Eid Al-Mutairi

Objectives
„ Define conversion and space time.

„ Write the mole balances in terms of conversion for a

batch reactor, CSTR, PFR, and PBR.

„ Size reactors either alone or in series once given the

molar flow rate of A, and the rate of reaction, - rA, as a
function of conversion, X.
 CHE 402- Dr. Eid Al-Mutairi

Reactor Mole Balance

Summary
 CHE 402- Dr. Eid Al-Mutairi

Conversion
 CHE 402- Dr. Eid Al-Mutairi

Conversion

moles reacted
X=
moles fed
 CHE 402- Dr. Eid Al-Mutairi

Conversion

moles reacted
X=
moles fed

For irreversible reaction, the maximum value of X is that for complete

conversion, i.e. X=1.0
For reversible reactions, the maximum value of X is the equilibrium
conversion, i.e. X=Xe
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
 CHE 402- Dr. Eid Al-Mutairi

Batch Reactor Conversion

„ For example, let’s examine a batch reactor with the following design
equation:
dN A
= rA V
dt
 CHE 402- Dr. Eid Al-Mutairi

Batch Reactor Conversion

„ For example, let’s examine a batch reactor with the following design
equation: dN A
= rA V
dt

„ Consider the reaction:

moles reacted
moles remaining = moles fed - moles fed •
moles fed
 CHE 402- Dr. Eid Al-Mutairi

Batch Reactor Conversion

„ For example, let’s examine a batch reactor with the following design
equation:
dN A
= rA V
dt

„Consider the reaction:

moles reacted
moles remaining = moles fed - moles fed •
moles fed
 CHE 402- Dr. Eid Al-Mutairi

Batch Reactor Conversion

„ For example, let’s examine a batch reactor with the following design
equation: dN A
= rA V
dt
„ Consider the reaction:

moles reacted
moles remaining = moles fed - moles fed •
moles fed

Differential Form:

Integral Form:
 CHE 402- Dr. Eid Al-Mutairi

CSTR Conversion

Algebraic Form:

There is no differential or integral form for a CSTR.

 CHE 402- Dr. Eid Al-Mutairi

PFR Conversion
PFR
dF A
= rA
dV
FA = F A0 (1− X)
 CHE 402- Dr. Eid Al-Mutairi

PFR Conversion
dF A
= rA
PFR dV
FA = F A0 (1− X)
 CHE 402- Dr. Eid Al-Mutairi

PFR Conversion
dF A
= rA
PFR dV
FA = F A0 (1− X)

Differential Form:

Integral Form:
 CHE 402- Dr. Eid Al-Mutairi

Design Equations
 CHE 402- Dr. Eid Al-Mutairi

Design Equations
 CHE 402- Dr. Eid Al-Mutairi

Design Equations
 CHE 402- Dr. Eid Al-Mutairi

Design Equations

V
 CHE 402- Dr. Eid Al-Mutairi

Design Equations

V
 CHE 402- Dr. Eid Al-Mutairi

Design Equations
 CHE 402- Dr. Eid Al-Mutairi

Concentration
„ For liquid phase FA0=CA0 v0

„ For gas phase: CA0=PA0/RT0=yA0P0/RT0

FA0= v0yA0P0/RT0
 CHE 402- Dr. Eid Al-Mutairi

Example 2-1
„ A gas of pure A at 830 kPa (8.2 atm) enters a
reactor with volumetric flow rate v0 of 2
dm3/s at 500 K. Calculate the entering
concentration of A, CA0, and the entering
molar flow rate, FA0.
 CHE 402- Dr. Eid Al-Mutairi

Reactor Sizing
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
 CHE 402- Dr. Eid Al-Mutairi

Example 2-2 [CSTR]

CHE 402- Dr. Eid Al-Mutairi
 CHE 402- Dr. Eid Al-Mutairi

Numerical Evaluation of
Integrals
„ The integral to calculate the PFR volume can be evaluated
using Simpson’s One-Third Rule (see Appendix A.4 on p. 1013):
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
 CHE 402- Dr. Eid Al-Mutairi

Reactor Sizing
CHE 402- Dr. Eid Al-Mutairi
 CHE 402- Dr. Eid Al-Mutairi

Numerical Evaluation of
Integrals
„ The integral to calculate the PFR volume can be evaluated
using Simpson’s One-Third Rule (see Appendix A.4 on p. 1013):
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
 CHE 402- Dr. Eid Al-Mutairi

Example
 CHE 402- Dr. Eid Al-Mutairi

Example

X⎛ 1 ⎞
V = F A0 ∫0 ⎜ ⎟ dX
⎝ − rA ⎠ 0.010
 CHE 402- Dr. Eid Al-Mutairi

Example

X⎛ 1 ⎞
V = F A0 ∫0 ⎜ ⎟ dX
⎝ − rA ⎠ 0.010
 CHE 402- Dr. Eid Al-Mutairi

Example

X⎛ 1 ⎞
V = F A0 ∫0 ⎜ ⎟ dX
⎝ − rA ⎠ 0.010

50
1 40
30
−rA 20
10
0.2 0.4 0.6 0.8
X
 CHE 402- Dr. Eid Al-Mutairi

Solution 0.8
= FA0 [ f ( X 0 ) + 4 * f ( X 1 ) + f ( X 2 )]
dX h
FA0 ∫
0
− rA 3
 CHE 402- Dr. Eid Al-Mutairi

Solution 0.8
= FA0 [ f ( X 0 ) + 4 * f ( X 1 ) + f ( X 2 )]
dX h
FA0 ∫
0
− rA 3

h=0.4 X0=0 X1=0.4 X2=0.8

 CHE 402- Dr. Eid Al-Mutairi

Solution 0.8
= FA0 [ f ( X 0 ) + 4 * f ( X 1 ) + f ( X 2 )]
dX h
FA0 ∫
0
− rA 3

h=0.4 X0=0 X1=0.4 X2=0.8

0.8
V = FA0 ∫
dX
=2
0.4
[ f (0) + 4 * f (0.4) + f (0.8)]
0
− rA 3
 CHE 402- Dr. Eid Al-Mutairi

Solution 0.8
= FA0 [ f ( X 0 ) + 4 * f ( X 1 ) + f ( X 2 )]
dX h
FA0 ∫
0
− rA 3

h=0.4 X0=0 X1=0.4 X2=0.8

0.8
V = FA0 ∫
dX
=2
0.4
[ f (0) + 4 * f (0.4) + f (0.8)]
0
− rA 3

0.8
V = FA0 ∫
dX
=2
0 .4
[100 + 4 *125 + 500]
0
− rA 3
 CHE 402- Dr. Eid Al-Mutairi

Solution 0.8
= FA0 [ f ( X 0 ) + 4 * f ( X 1 ) + f ( X 2 )]
dX h
FA0 ∫
0
− rA 3

h=0.4 X0=0 X1=0.4 X2=0.8

0.8
V = FA0 ∫
dX
=2
0.4
[ f (0) + 4 * f (0.4) + f (0.8)]
0
− rA 3

0.8
V = FA0 ∫
dX
=2
0 .4
[100 + 4 *125 + 500]
0
− rA 3

V=293.3 L
 CHE 402- Dr. Eid Al-Mutairi

Example 2-2 [PFR]

 CHE 402- Dr. Eid Al-Mutairi

Reactor Sizing- Summary

„ Given -rA as a function of conversion, -rA=f(X), one can size any
type of reactor.
50
1 40
30
„ We do this by constructing a Levenspiel plot. −rA 20
10
0.2 0.4 0.6 0.8
FA0 1
„ Here we plot either −r A or −r A as a function of X.

FA0
„ For −r A
vs. X, the volume of a CSTR is: XEXIT

F A0 (X − 0 ) Equivalent to area of rectangle

V=
− rA on a Levenspiel Plot
EXIT
FA0
„ For −r A
vs. X, the volume of a PFR is:

VPFR = ∫0
XF
A0
− rA
dX = area under the curve
=area
 CHE 402- Dr. Eid Al-Mutairi

Reactor Staging
 CHE 402- Dr. Eid Al-Mutairi

Reactors In Series
 CHE 402- Dr. Eid Al-Mutairi

Reactors In Series
 CHE 402- Dr. Eid Al-Mutairi

Reactors In Series
 CHE 402- Dr. Eid Al-Mutairi

Reactors in Series
„ Also consider a number of CSTRs in series:
 CHE 402- Dr. Eid Al-Mutairi

Reactors in Series
„ Finally consider a number of CSTRs in series:

„ We see that we approach the PFR reactor volume for a

large number of CSTRs in series:
FA 0
− rA

X
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
CHE 402- Dr. Eid Al-Mutairi
 CHE 402- Dr. Eid Al-Mutairi

Example 2-5
 CHE 402- Dr. Eid Al-Mutairi

PFRs in series
FA1
X1=0.4
FA0

FAe
X2=0.8
 CHE 402- Dr. Eid Al-Mutairi

PFRs in series
FA1
X1=0.4
FA0

FAe
X2=0.8

x2 x 1 x 2
dX dX dX
∫0 FA0 − rA = ∫0 FA0 − rA + x∫ FA0 − rA
1
 CHE 402- Dr. Eid Al-Mutairi

PFRs in series
FA1
X1=0.4
FA0

FAe
X2=0.8

x2 x 1 x 2
dX dX dX
∫0 FA0 − rA = ∫0 FA0 − rA + x∫ FA0 − rA
1

FA0/-rA

X
 CHE 402- Dr. Eid Al-Mutairi

Example 2-6
 CHE 402- Dr. Eid Al-Mutairi

PFRs, CSTRs reactor volumes and

sequencing
Space time
V
time necessary to process one
reactor volume of fluid based on
τ=
v0
entrance conditions

Space velocity v0 1
- LHSV SV = =
-GHSV
V τ
 CHE 402- Dr. Eid Al-Mutairi

Typical Space time for Industrial Reactors

Reactor Type Mean Residence Production

Time Range Capacity

Batch 15 min – 20 h Few kg/h to

100,000 tons/yr

CSTR 10 min-4h 10 - 3M tons/yr

Tubular 0.5 s-1 h 50- 5M tons/yr