Chemical Reaction

Engineering
DKK 2423
Chapter 1 Mole Balances
By : Wan Zaiton
 Topics
Mole Balances

Definition of the rate of reaction

General mole balance equations
Batch reactor
Continuous-flow reactors
 Topic Outcomes
Describe introductory concepts of rate of
reactions

Develop a general mole balance that can be

applied to any species entering, leaving and/or
remaining within the reaction system volume

Apply general balance equation to develop a

preliminary form of a design equations for batch
and continuous reactors
 Introduction
Chemical Reaction ???
1 or more substances (reactants) are
chemically changed (lost their
identification) into 1 or more new
substances (products)
decomposition
3 ways combination
isomerization
 Rate of Reaction
The rate of reaction can be expressed as the rate
of disappearance of a reactant, or as the rate of
formation of a product.
Consider species A: (rA; -rA; -rA)

rA = the rate of formation of

species A per unit volume
-rA = the rate of a disappearance of
species A per unit volume
-rA = the rate of disappearance of
species A per unit mass of catalyst-
for a catalytic reaction
 Example
Consider reaction for species A:
AB

If B is being formed at 0.2 mole/dm3/s

Thus,
the rate of formation of B is
rB = 0.2 mole/dm3/s

And the rate of decomposition of A is

- rA = 0.2 mole/dm3/s
 General Mole Balances Equation
Gj Fj
FjO

Rate of Rate of Rate of Rate of flow

flow into + reaction in = accumulation + out from
system system system
Fjo + Gj = dNj/dt + Fj

Knowing that Gj = rjV

and, Gji = rji V = rjdV

Thus, Fjo + rjdV = dNj/dt + Fj

 Common Industrial & Lab
Reactors
Batch Reactor

Flow Reactor
Continuous-Stirred Tank Reactor (CSTR)
Plug Flow Reactor (PFR)
Packed Bed Reactor (PBR)

Other Reactor Types

Membrane Reactor
Fluidized Bed Reactor
Batch Reactor
Batch Reactor
-mainly used for small scale
operation
-suitable for slow reactions
-mainly used for liquid-phase
reaction
-charge-in/clean-up times can be
large
Batch system
Gj

0 0
Fjo + Gj = dNj/dt + Fj

Knowing that :
Gj = rjV

Thus,
rjV = dNj/dt
Continuous-Stirred Tank
Reactor
CSTR
steady state operation;
used in series
good mixing leads to
uniform concentration and
temperature
mainly used for liquid
phase reaction
suitable for viscous liquids
 CSTR system
Fjo Gj Fj

0
Fjo + Gj = dNj/dt + Fj

Thus, F jo F j
Fjo + r jV = Fj V
(rj )
Tubular Reactor/Plug
Flow Reactor
PFR
suitable for fast reaction
gas phase reaction
temperature control is
difficult
there are no moving
parts
 PFR system
y y + y

Fjo Gj Fj
0
Fjo + Gj = dNj/dt + Fj

F jo F j rj dV 0
Differenti ate with respect to V :
dF j
0 rj
dV
dF j
rj
dV
Packed Bed Reactor (PBR)
-Tubular reactor that is placed with
solid catalyst particles
- High conversion per unit mass of
catalyst
- Unit may be difficult to clean
 PBR system
W W + W

Fjo Gj Fj

Fjo + Gj = dNj/dt + Fj
F jo F j rj ' dW 0
Differenti ate wrt W and rearrange :
dF j
rj '
dW
 GMBE for Major Types of Reactors
Differential Algebraic Integral
Remarks
Equation Equation Equation
Nj Conc. changes with time
dN j dN j but is uniform within the
Batch (rj )V t (rj )V reactor. Reaction rate
dt N jO varies with time.

Conc. inside the reactor is

F jo F j uniform. rj is constant.
V
CSTR (rj ) Exit conc = conc inside
reactor.

Fj Concentration and
dF j dF j reaction rates vary
PFR
dV
rj V (r )
F jO j
axially (axial direction).

Fj
dFj dFj
PBR rj ' W
dW F jO (rj ' )
 Example 1.1
The first order reaction A B is carried out in a
PFR in which the volumetric flow rate,, is
constant. Derive an equation relating the reactor
volume to the entering and exiting concentrations
of A, the rate constant k and the volumetric flow
rate, .
Determine the reactor volume necessary to
reduce the exiting concentration to 10% of the
entering concentration (CA=0.1CAo) when the
volumetric flow rate is 10 dm3/min.The reaction
rate is given as rA= kCA with the specific rate,
k is 0.23 min-1.

What is the volume if we use CSTR? Answer =

391 dm3
 Assignment 1
The reaction A B is to be carried out isothermally in a
continuous-flow reactor. Calculate both the CSTR and PFR
reactor volumes necessary to consume 99% of A (CA =
0.01CA0) when the entering molar flow rate is 5 mol/h,
assuming the reaction rate rA is:

a) rA = k with k = 0.05 mol.h-1.dm-3

b) rA = kCA with k = 0.0001 s-1

c) rA = kCA2 with k = 3 dm3.mol-1.h-1

The entering volumetric flow rate is 10 dm3/h.
Note: FA = CA. For a constant volumetric flow rate =
0, then FA = CA0. Also, CA0 = FA0/0

SUBMISSION DATE : 26th September 2014 (Friday)