KỸ THUẬT VÀ THIẾT BỊ PHẢN

ỨNG – ENGINEERING AND

REACTION EQUIPMENT
GV: TS. Đặng Nguyên Thoại
Be more concerned with your character
than with your reputation, because
character is what you really are while
reputation is merely what others think
you are.

John Wooden

2
 PHẦN I: KỸ THUẬT PHẢN ỨNG

Nội dung
1. Chapter 1: Mole Balances
2. Chapter 2: Conversion and Reactor Sizing
3. Chapter 3: Rate Laws and Stoichiometry
4. Chapter 4: Isothermal Reactor Design

3
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.

4
Topics

1.Conversion
2.Design Equations
3.Reactor Sizing
4.Numerical Evaluation of Integra
ls
5.Reactors in Series
6.Space Time

5
Conversion

• General equation

• Basis of calculation is always the limiting

reactant
• Choose A as basis of calculation and divide
by the stoichiometric coefficient

6
Conversion, X

• conversion X of species A in reaction is equal to

number of moles A reacted per mole of A fed

• Examples
Batch Flow

7
What is the maximum value of conversion?

• For irreversible reactions: maximum value of

conversion, X
for complete conversion X=1.0.

• For reversible reactions: maximum value of

conversion, X, is the equilibrium conversion, X=X e.

8
2. Design Equations

• The design equations presented in Chapter 1

can be written in terms of conversion, X.
• The following design equations are for single
reactions only.
• Reactor Mole Balances in Terms of Conversion

9
Reactor Mole Balances in Terms of Conversion

Reactor Differential Algebraic Integral

Batch

CSTR

PFR

PBR

10
 3. Reactor Sizing

By sizing a chemical reactor

• Either determining the reactor volume to
achieve a given conversion or
• Determine the conversion that can be
achieved in a given reactor type and size
• -rA= f(X) and FA0
• can size any type of reactor
• by constructing a Levenspiel plot

11
3. Reactor Sizing: Levenspiel plot

• Plot between or as a function of X

• Volume of CSTR and PFR can be

represented as the shaded areas in the
Levenspiel Plots

12
 Example 2.1 Using the Ideal Gas Law to Calculate C A0 and
FA0
A gas of pure A at 830 kPa (8.2 atm) enters a reactor with
a 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.

where CA0= entering concentration, mol/dm3

yA0= entering mole fraction of A
P0= entering total pressure, e.g., kPa
yA0P0 = entering partial pressure of A, e.g.,
PA0=
kPa
T0= entering temperature, K
v0= volumetric flow rate

R=

13
Example 2.2 Levenspiel Plots in Terms of Concentrations

Rewrite the design equation for a plug-flow reactor

in terms of the concentration, CA, rather than in
terms of conversion for the special case when v
= v0.

14
4. Numerical Evaluation of Integrals
• The integral to calculate the PFR volume can
be evaluated using a method such as
Simpson's One-Third Rule

15
Chapter 2 Self Test Numerical Evaluation of an Integral

Consider the liquid phase reaction which is to take

place in a PFR. The following data was obtained in a
batch reactor
X 0 0.4 0.8
-rA(mol/dm3.s) 0.01 0.008 0.002

If the molar feed of A to the PFR is 2 mol/s, what

PFR volume is necessary to achieve 80% conversion
under identical conditions as those under which the
batch data was obtained?

16
 5. Reactors in Series
• Given -rA as a function of conversion, one can also design any sequence of
reactors:

Only valid if there are no side

streams
• Consider 1 PFR between 2 CSTRs

17
 Example 2.3 Use Levenspiel plots to calculate
conversion from known reactor volumes
• Pure A is fed at a volumetric flow rate of 1000 dm3/h and at a
concentration of 0.005 mol/dm3 to an existing CSTR, which is
connected in series to an existing tubular reactor.
• If the volume of the CSTR is 1200 dm3 and the tubular reactor
volume is 600 dm3, what are the intermediate and final
conversions that can be achieved with the existing system?

18
 Example 2.4 Reactors in Series: CSTR-PFR-CSTR

• Using either the data in Table E2-W.1, calculate the reactor volumes V 1,
V2, and V3 for the CSTR/PFR/CSTR reactors in series sequence shown in
Figure E2-W.1 along with the corresponding conversion.

X 0 0.2 0.4 0.6 0.8

0.009
0.010 0.008 0.005 0.002
1

100 110 125 200 500

200 220 250 400 1000

19
 Space Time, 
• Space time, tau, is obtained by dividing reactor
volume by volumetric flow rate entering the reactor

• Space time  time necessary to process one

volume of reactor fluid at the entrance conditions.
• This is the time it takes for amount of fluid that
takes up entire volume of the reactor to either
completely enter or completely exit the reactor.

20
 Sample Industrial Space Times

Pressure Space
Reaction Reactor Temperature
atm Time
C2H6 → C2H4 + H2 PFR 860°C 2 1s
CH3CH2OH + CH3COOH
→ CH3COOCH2CH3 + CSTR 100°C 1 2h
H2O

1s<τ<
Catalytic cracking PBR 490°C 20
400 s
C6H6 + HNO3 →
C6H5NO2 + H2O
CSTR 50°C 1 20 min

21
Example 2.5
1. Which system is most efficient for an
intermediate conversion of (0.3)?
2. Which system is most efficient for an
intermediate conversion of (0.65)?
3. Which system makes the best use of the reactor
volume (i.e., least “wasted” volume)?

22
Example 2.5

23
Example 2.6

• For the irreversible gas-phase reaction:

• the following correlation was determined from

laboratory data (the initial concentration of A is
0.2 mol/L):

• The volumetric flow rate is 5 m3/s.

24
Example 2.6
• Over what range of conversions are the plug-flow
reactor and CSTR volumes identical?
• What plug-flow reactor volume is necessary to
achieve 70% conversion?
• What CSTR reactor volume is required if effluent
from the plug-flow reactor in part (b) is fed to a
CSTR to raise the conversion to 90%?
• If the reaction is carried out in a constant-
pressure batch reactor in which pure A is fed to
the reactor, what length of time is necessary to
achieve 40 % conversion?

25
Các công thức gần đúng theo quy tắc Simpson

26
Exercise P2-9B (Page. 72 - 4th Edition)

27
Levenspiel plot

28
 Thank you
For your attention

TS. Nguyễn Thành Đạt 29