CHEMICAL ENGINEERING

DEPARTMENT
CEB2043
REACTION ENGINEERING I

Chapter 2:

Conversion and Reactor Sizing (Part 2)

 RECAP

After completing previous lecture, you are now able to:

1. define conversion , X

2. develop the design equation for batch and flow reactors

(relating mole balance to conversion, X)
 SUMMARY OF DESIGN EQUATIONS
Reactor Differential Algebraic Integral

𝑋
𝑑𝑋 𝑑𝑋
Batch 𝑁𝐴0 = −𝑟𝐴 𝑉 𝑡 = 𝑁𝐴0 න
𝑑𝑡 −𝑟𝐴 𝑉
0

𝐹𝐴0 𝑋
CSTR 𝑉=
−𝑟𝐴
𝑋
𝑑𝑋 𝑑𝑋
PFR 𝐹𝐴0 = −𝑟𝐴 𝑉 = 𝐹𝐴0 න
𝑑𝑉 −𝑟𝐴
0
𝑋
𝑑𝑋 𝑑𝑋
PBR 𝐹𝐴0 = −𝑟𝐴 ’ 𝑊 = 𝐹𝐴0 න
𝑑𝑊 −𝑟𝐴 ′
0
 LESSON OUTCOMES

After completing this lecture, students should be able to:

1. apply the design equation to calculate the volume of

reactors for a particular process (Levenspiel plot)

2. evaluate the best reactor arrangement (single and series)

 REACTOR SIZING

Flow Reactors

𝑋
𝐹𝐴0 𝑋 𝑑𝑋
𝑉= 𝑉 = 𝐹𝐴0 න
−𝑟𝐴 −𝑟𝐴
0

Volume of reactor required for the

reaction to complete
Batch Reactor
𝑋
𝑑𝑋
𝑡 = 𝑁𝐴0 න
−𝑟𝐴 𝑉
0 Amount of catalyst 𝑋
required for the reaction 𝑑𝑋
Time taken for the to complete 𝑊 = 𝐹𝐴0 න
reaction to complete −𝑟𝐴 ′
0
 REACTOR SIZING FOR FLOW REACTOR

• We can estimate the reactor size using a LEVENSPIEL PLOT.

• From a given data of –rA and X, and a known value of FA0

–rA X 𝐹𝐴0
𝐹𝐴0
−𝑟𝐴 −𝑟𝐴

X
 ESTIMATE CSTR VOLUME

• Consider the design equation for CSTR

𝐹𝐴0 𝐹𝐴0
−𝑟𝐴 𝑉= 𝑋
−𝑟𝐴

X 0.8
 ESTIMATE PFR VOLUME

• Consider the design equation for PFR

𝑋
𝐹𝐴0 𝑑𝑋
−𝑟𝐴 𝑉 = 𝐹𝐴0 න
−𝑟𝐴
0

𝑋
𝐹𝐴0
𝑉= න 𝑑𝑋
−𝑟𝐴
0
0 0.8
X
 EXERCISE 2.1: REACTOR SIZING FOR
FLOW REACTOR
Reaction A→ B is carried out in a CSTR and
the entering molar flow rate of A is 0.4 mol/s.
Table 2.1
Using data in Table 2.1:
XA -rA (mol/m3.s)
a. Calculate the volume required to
0.0 0.45
achieve 80% conversion. Shade the
0.1 0.37
area on the Levenspiel plot that
0.2 0.30
corresponds to this conversion.
0.4 0.195
b. Re-do the problem if the reaction is 0.6 0.113
carried out in a PFR. 0.7 0.079

c. Any comment on the reactor size? 0.8 0.05

 EXERCISE 2.1a: REACTOR SIZING FOR
FLOW REACTOR

TABLE 2.1
𝐹𝐴0
𝑉= 𝑋
XA -rA (mol/m3.s) FA0/-rA
−𝑟𝐴
(m3..s/mol)

0.0 0.45 0.89

0.1 0.37 1.08 𝑉𝐶𝑆𝑇𝑅 = 6.40𝑚3
0.2 0.30 1.33
0.4 0.195 2.05
0.6 0.113 3.54
0.7 0.079 5.06
0.8 0.05 8.00
 EXERCISE 2.1b: REACTOR SIZING FOR
0.8 𝐹 FLOW REACTOR
TABLE 2.1
V= ‫׬‬0 𝐴0
𝑑𝑋
−𝑟𝐴
XA -rA FA0/-rA
(mol/m3.s) (m3..s/mol)

0.0 0.45 0.89

0.1 0.37 1.08
0.2 0.30 1.33
0.4 0.195 2.05
0.6 0.113 3.54
0.7 0.079 5.06
0.8 0.05 8.00
Using numerical method
 NUMERICAL EVALUATIONS OF 13

INTEGRALS
• The integral to calculate the PFR volume can be evaluated using method
as Simpson’s One-Third Rule: (See Appendix A.4)

𝑋
𝐹𝐴0 Δ𝑥 1 4 1
𝑉=න 𝑑𝑋 = 𝐹 + +
−𝑟𝐴 3 𝐴0 −𝑟𝐴 (0) −𝑟𝐴 (𝑋/2) −𝑟𝐴 (𝑋)
0

Other numerical methods are:

 Trapezoidal Rule (uses two data points)

 Simpson’s Three-Eight’s Rule (uses four data points)

 Five-Point Quadrature Formula

 NUMERICAL EVALUATIONS OF INTEGRALS

𝑋1
ℎ
Trapezoidal rules න 𝑓 𝑋 𝑑𝑋 = 𝑓 𝑋0 + 𝑓 𝑋1
2
(2 data points) 𝑋0
𝑤ℎ𝑒𝑟𝑒 ℎ = 𝑋1 − 𝑋0

𝑋2
ℎ
Simpson’s one-third න 𝑓 𝑋 𝑑𝑋 = 𝑓 𝑋0 + 4𝑓 𝑋1 + 𝑓 𝑋2
3
rules (3 data points) 𝑋0
𝑋2 − 𝑋0
𝑤ℎ𝑒𝑟𝑒 ℎ=
2
 NUMERICAL EVALUATIONS OF INTEGRALS

𝑋3
3
න 𝑓 𝑋 𝑑𝑋 = ℎ 𝑓 𝑋0 + 3𝑓 𝑋1 + 3𝑓 𝑋2 + 𝑓 𝑋3
Simpson’s three-eight 8
𝑋0
rules (4 data points)
𝑋3 − 𝑋0
𝑤ℎ𝑒𝑟𝑒 ℎ=
3

𝑋4
ℎ
න 𝑓 𝑋 𝑑𝑋 = 𝑓 𝑋0 + 4𝑓 𝑋1 + 2𝑓 𝑋2 + 4𝑓 𝑋3 + 𝑓 𝑋4
3
Five points quadrature 𝑋0
formula
𝑋4 − 𝑋0
𝑤ℎ𝑒𝑟𝑒 ℎ =
4
 EXERCISE 2.1b: REACTOR SIZING FOR
FLOW REACTOR
Use 5-point quadrature formula:
𝑋4
ℎ 𝑋4 − 𝑋0
න 𝑓 𝑋 𝑑𝑋 = (𝑓0 + 4𝑓1 + 2𝑓2 + 4𝑓3 + 𝑓4 ) ℎ=
𝑋0 3 4
XA -rA FA0/-rA 𝑋4
0.2
(mol/m3.s) (m3..s/mol) න 𝑓 𝑋 𝑑𝑋 = (0.89 + 4(1.33) + 2(2.05) + 4(3.54) + 8.00)
𝑋0 3
0.0 0.45 0.89
0.1 0.37 1.08 𝑉𝑃𝐹𝑅 = 2.16𝑚3
0.2 0.30 1.33
0.4 0.195 2.05
0.6 0.113 3.54 Compare the volume of PFR obtained when using
0.7 0.079 5.06 Trapezoidal rules, Simpson’s one-third rules, and three-

0.8 0.05 8.00 eight rules.

 Any comment on the reactor size?
Volume
𝐹𝐴0 of CSTR
−𝑟𝐴
FA0/-rA

Volume
of PFR

X X 0.8
 SUMMARY OF LESSON OUTCOMES

By now, students should be able to:

1. define conversion , X

2. develop the design equation for batch and flow reactors

(relating mole balance to conversion, X)

3. apply the design equation to calculate the volume of

reactors for a particular process

4. evaluate the best reactor arrangement (single reactor)