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 𝑉𝑃𝐹𝑅 = 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 x 1 4 1
V = dX = FA0 + +
0
− rA 3 − rA ( 0) − rA ( X / 2) − rA ( X )
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
Use 5-point quadrature formula:
2.1b: REACTOR SIZING FOR
FLOW REACTOR
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)
