Chemical reaction engineering (CRE):

the study of chemical kinetics with the reactors

Principle of chemical reaction:
(1)
(2)
(3)
(4)
(5)

Over view Chapter 1

Mole balance Input Output = accumulation
In

Out

Mole balance Common industrial reactors

(1) Continuous-stirred tank (CSTR)
(2) Tubular (plug flow reactor) (PFR)
(3) Packed bed (PBR)
(4) Batch reactor

1.1 The Rate of Reaction, -rA

Chemical reaction
(1)

(2)
(3)

ExA
A

:
(1) Decomposition

(2) Combination
Propylene + Benzene Cumene

(3) Isomerization

rate of reaction
(1)
(2)
EX
A

2B

=>
(-rA) = 2(-rB) = rC = rD

rj j
j -rj
j rj

rA
(mol/dm3s)
rC
DDT(mol/dm3s)


EX
rA

1.2 The General Mole Balance Equation

AssumeCatalytic activity
Concentration

tj

Njtj
jGj

=>

Replace Gj in eq1-3

Basic equation for chemical

reaction engineering.

(batchsemi-batchcontinuous)

(batch)(continuous-flow)

1.3 Batch Reactors(BRs)

Characterizations
(1)
(2)
(3)
(4)
(5)

Used for small-sale operation

High conversion
High labor costs per batch
Difficulty of large-sale production
A batch reactor has neither in flow nor out
flow of reactants or products while the
reaction is being carried outFj0=Fj=0
eq1-4 =>

If the reaction mixture is perfectly mixed (fug15(b) ) so that there is no variation in the rate of
reaction through the reactor volume, we can
take rj out of the integral.

In a batch reactor
The number of moles of A decreases
and the number of moles of B increases.
eq1-5
=>
Boundary condition

=> Integral firm of the mole balance on a batch reactor.

1.4 Continuous-Stirred Tank Reactor

(1)Continuous Stirred Tank Reactor (CSTR)
(2)Plug Flow Reactor (PFR)
(3)Packed Bed Reactor (PBR)

1.4.1 Continuous Stirred Tank Reactor

Characterization
(1) Stirred tank operated continuously (fig1.7)
(2) Vat or backmix reactor for liquid phase reactions
(3) Normally operated at steady state and is assumed to be
perfectly mixedconsequently, there is no time, position,
temperature, concentration, reaction rate inside the CSTR
(4) T, C and r are the same at the exit point as they are
elsewhere in the tank.
=>The temperature and concentration in the exit stream are
modeled as being the same as those inside the reactor.
(5) Mole balance equation

CSTR operate at steady state (Conditions do not change with time.)

=>
If perfect mixing.
=>
Replace eq1-4
=>
The CSTR is modeled such that the conditions in the exit stream
(concentration, temperature) are identical to those in the tank.

The molar flow rate Fj

Volumetric flow rate

1.4.2 Plug Flow Reactor

Characterization
(1) It consists a cylindrical pipe and is normally operated at
steady state.
(2) Tubular reactors are used most often for gas phase
reactions.
(3) The reactors are continually consumed as they flow
down the length of the reactors.
(1)

(2)

Plug-flow tubular reactor

There is no radial variation in
reaction rate and the reactor is
referred to ad a PFR.
Exvelocity, concentration,
temperature, or reaction rate.
The general mole balance equation is given by eq.1-4

Dividing by V and rearranging

Because
If V 0
The differential form of steady state mole balance on a PFR.

For an irregular shape reactor in fig.1-11 for reactant species A.

eq.1-10 =>
=> Tubular reactors of variable and constant cross-sectional area.
=>PFR

A reaction AB in PFR.

From eq.1-12 =>

B.C.

=>
PFR

1.4.3 Packed Bed Reactor

Characterization
(1) Fluid-solid heterogeneous reaction
=>reaction take place on the surface of the catalyst
=>the reaction rate is based on mass of solid catalyst, W,
rather than on reactor volume, V.
(2) For a fluid-solid heterogeneous system, the rate of reaction
of a substance.
A is defined as

PBR, A
W
The dimension of the generation term in eq.1-14 are

Dividing by W, and W0
Use differential form of design equation for catalyst decay and pressure drop.

When pressure drop through the reactor and catalyst decay are neglected,
the integral form of the packed-catalyst bed design equation can be used
to calculate the catalyst weight.

1.5 Industrial Reactors

In DVD-Rom

Summary