Chemical Reaction Engineering I

CHE 416
DR. OJEWUMI
[PART A]
 Reactor
• A chemical reactor is an enclosed volume in which a 
chemical reaction takes place.
• It is generally understood to be a process vessel used to carry out
a chemical reaction, which is one of the classic unit operations in
chemical process analysis.
• Chemical reaction engineering is the branch of chemical
engineering which deals with chemical reactors and their design,
especially by application of chemical kinetics to industrial
systems. The study of chemical reaction engineering (CRE)
combines the study of chemical kinetics with the reactors in
which the reactions occur. Chemical kinetics and reactor design
are at the heart of producing almost all industrial chemicals
• The most common basic types of chemical reactors are
tanks (where the reactants mix in the whole volume)
and pipes or tubes (for laminar flow reactors and 
plug flow reactors)
• Both types can be used as continuous reactors or batch
reactors, and either may accommodate one or more
solids (reagents, catalysts, or inert materials), but the
reagents and products are typically fluids (liquids or
gases). Reactors in continuous processes are typically
run at steady-state, whereas reactors in batch processes
 are necessarily operated in a transient state. When a
reactor is brought into operation, either for the first
time or after a shutdown, it is in a transient state, and
key process variables change with time.
• There are three idealized models used to
estimate the most important process variables
of different chemical reactors:
• Batch reactor model,
• Continuous stirred-tank reactor model (CSTR),
and
• Plug flow reactor model (Tubular
Reactors) (PFR).

[Packed Bed Reactors (PBR)]

 Batch Reactor
• The batch reactor is the generic term for a type
of vessel widely used in the process industries. Its
name is something of a misnomer since vessels of
this type are used for a variety of process
operations such as solids dissolution, product
mixing, chemical reactions, batch
distillation, crystallization, liquid/liquid extraction
and polymerization. In some cases, they are not
referred to as reactors but have a name which
reflects the role they perform (such as crystallizer,
or bioreactor)
• A typical batch reactor consists of a storage
tank with an agitator and integral
heating/cooling system. These vessels may
vary in size from less than 1 litre to more than
15,000 litres. They are usually fabricated
in steel, stainless steel, glass-lined steel, glass
or exotic alloy. Liquids and solids are usually
charged via connections in the top cover of
the reactor. Vapors and gases also discharge
through connections in the top. Liquids are
usually discharged out of the bottom.
• The advantages of the batch reactor lie with
its versatility. A single vessel can carry out a
sequence of different operations without the
need to break containment. This is particularly
useful when processing toxic or
highly potent compounds.
Kinds of Phases Present Usage Advantages Disadvantages
 

1. Gas phase 1. Small scale 1. High conversion 1. High operating

  production per unit volume for cost
2. Liquid phase   one pass  
  2. Intermediate or   2. Product quality
3. Liquid Solid one shot production 2.Flexibility of more variable than
  operation-same with continuous
3.Testing new reactor can produce operation
process that have one product one  
not been fully time and a different 3.Difficalty of large
developed product the next scale production
     
4. Manufacture of 3. Easy to clean
expensive products.
 
5.Pharmaceutical,
Fermentation
Batch
 Batch Reactor:

Definition:
Batch Reactors are defined as reactors in which no flow of mass across the reactor
boundaries, once the reactants have been charged.
Schematic Representation of Batch Reactors:

Stirrer

Liquid Surface
Tank V

11
Batch Reactor:

Mode of Operation:

Cleaning the
reactor

Unloading the
reactor

Loading the
reactor

Stopping the
operation
t = tf
Adding the
initiator
t=0
12
Batch Reactor:

Characteristics of Batch Reactor:

1. Each batch is a closed system.

2. The total mass of each batch is fixed.
3. The volume or density of each batch may vary as reaction proceeds.
4. The energy of each batch may vary as reaction proceeds; heat
exchanger may be provided to control temperature.
5. The reaction (residence) time for elements of the reacting fluid is the
same.
6. The operation of the reactor is inherently unsteady-state; batch
composition changes with respect to time.
7. At any time, the batch is uniform in composition, temperature because
of the efficient and vigorous stirring
13
 Continuous Stirred-tank Reactor

• The continuous stirred-tank reactor (CSTR), also

known as vat- or backmix reactor, mixed flow
reactor (MFR), or a continuous-flow stirred-tank
reactor (CFSTR), is a common model for a chemicaI
reactor in chemical engineering and 
environmental engineering. A CSTR often refers to a
model used to estimate the key unit operation
variables when using a continuous agitated-tank
reactor to reach a specified output. The
mathematical model works for all fluids: liquids,
gases, and slurries.
CSTR
CSTR
CSTR
 Continuous Stirred Tank Reactor (CSTR):
Definition:
Continuous Stirred Tank Reactors (CSTR) are defined to be flow reactors characterized
by intense mixing so that the properties anywhere inside the reactor are exactly the
same as that of the exist stream.
Schematic Representation of CSTR:
Stirrer
This model can be Liquid Surface
used to:
Input Rate V
1. model a bed of
catalyst powder,
i.e. fluidized-bed
reactors.
2. Slurry bubble
column reactor
3. Polymerization Output Rate
reactors
18
Continuous Stirred Tank Reactor (CSTR):

Characteristics of Continuous Stirred Tank Reactor (CSTR):

1. The flow through the vessel(s), both input and out streams, is
continuous but not necessary at a constant rate.
2. The system mass inside each vessel is not necessary fixed.
3. The volume or density of each batch may vary as reaction proceeds.
4. The energy of each batch may vary as reaction proceeds; heat
exchanger may be provided to control temperature.
5. The reaction (residence) time for elements of the reacting fluid is the
same.
6. The operation of the reactor may be steady state or unsteady-state.
7. The fluid properties are uniform in composition, temperature
anywhere in the vessel because of the efficient and vigorous stirring
19
Kinds of Phases Present Usage Advantages Disadvantages
 

1. Gas phase 1. When agitation is 1. Continuous operation 1. Lowest conversion per

required unit volume, very large
2. 2. Liquid phase reactors are necessary
2. Good temperature to obtain high
  control conversions
3. 3. Liquid Solid 2. Series configurations for
  different concentration 2. 2. By-passing and
streams 3. Easily adapts to two channeling possible
phase runs with poor agitation

4. Simplicity of construction

5.Low operating (labor) cost

6. Easy to clean
 Plug flow reactor model

• The plug flow reactor model (PFR, sometimes

called continuous tubular reactor, CTR,
or piston flow reactors) is a model used to
describe chemical reactions in continuous,
flowing systems of cylindrical geometry. The PFR
model is used to predict the behavior
of chemical reactors of such design, so that key
reactor variables, such as the dimensions of the
reactor, can be estimated.
PFR
PFR
 Plug Flow Reactors(PFR):
Definition:
Plug Flow Reactors (PFR) are defined to be flow reactors characterized by the absence
of mixing in the direction of flow and absence of variation normal to the direction of
flow.
Schematic Representation of PFR:

This model can be

used to:

1. model a tubular-
type reactors such
as ammonia
manufacturing
reactor.

24
Plug Flow Reactors(PFR):

Characteristics of Plug Flow Reactors(PFR):

1. The flow through the vessel(s), both input and out streams, is continuous
but not necessary at a constant rate.
2. The system mass inside each vessel is not necessary fixed.
3. The density of the flowing system may vary in the direction of flow.
4. There is no axial mixing of fluid inside the reactor, composition changes
along the flow direction.
5. There is complete radial mixing of fluid inside the reactor; uniform fluid
properties along the direction normal to flow direction.
6. The energy may vary as reaction proceeds; heat exchanger may be
provided to control temperature.
7. The reaction (residence) time for elements of the reacting fluid is the
same. 25
Kinds of Phases Present Usage Advantages Disadvantages
 

1. Primarily Gas Phase 1. Large Scale 1. High Conversion per 1. Undesired thermal
  Unit Volume gradients may exist
2. Fast Reactions    
2. Low operating 2. Difficult
3. Homogeneous (labor) cost) temperature control
Reactions    
  3.Good heat transfer 3. Shutdown and
4. Heterogeneous   cleaning may be
Reactions expensive
   
5. Continuous 4.Hot spot occur for
Production exothermic reaction
 
6. High Temperature
• Key process variables include:
• Residence time (τ, lower case Greek tau)
• Volume (V)
• Temperature (T)
• Pressure (P)
• Concentrations of chemical species (C1, C2,
C3, ... Cn)
• Heat transfer coefficients (h, U)
 Classification of Chemical Reaction

• Chemical reactions occurring in a reactor may

be exothermic, meaning giving off heat,
• or endothermic, meaning absorbing heat. A
chemical reactor vessel may have a cooling
• or heating jacket or cooling or heating coils
(tubes) wrapped around the outside of its
• vessel wall to cool down or heat up the
contents.
 It classify according to Five traditional types
of chemical reactions:
• 1. Decomposition reactions: single compound
decomposes to two or more other substances,
decomposition of calcium carbonate by heating it.
CaCO3 (s) ---> CaO(s) + CO2 (g)
• 2. Combination reactions (Synthesis reactions)
• 3. Single-replacement reactions (Displacement
reactions):copper displaces silver from an aqueous
solution of silver nitrate is an example of a single-
replacement reaction.
• Cu(s) + 2 AgNO3 (aq) ---> Cu(NO3 )2 (aq) + 2 Ag(s)
• 4. Double-replacement reactions (Metathesis
reactions):Precipitation reactions are one type
of double-replacement reaction. An example
is AgNO3 (aq) + NaCl(aq) ---> AgCl(s) + NaNO3
(aq)

• 5. Combustion reactions: substance reacts

with oxygen, butane burns in air as follows. 2
C4H10(g) + 13 O2 (g) ---> 8 CO2 (g) + 10 H2O(l)
 Oxidation-reduction reactions (Redox
reactions).
• Phases involved:
• Homogeneous reaction : it takes place in one
phase alone.

• Heterogeneous reaction : multiple phases,

reaction usually occurs at the interface
between phases.
Direction of reaction: Irreversible or reversible rxn
• Irreversible Reaction: Proceeds in only one direction
and continues in that direction until the reactants
are exhausted.
Example :
Heterogeneous reaction
Toluene-hydrogenation →

Homogeneous reaction
Decomposition N2O
N2O (g)+2O2 (g) →2 N2 (g) + O2 (g)
Water gas shift reaction
H2O (g)+CO (g) →H2 (g) + CO2 (g)
• Reversible Reaction: Can proceed in either
direction, depending on the concentrations of
reactants and products present relative to the
corresponding equilibrium concentration.
Example :
Homogeneous reaction

Heterogeneous reaction Ammonium chloride synthesis or

decomposition
Design Equations
Batch Reactors
 Design equation for batch:

Conversion
Reaction time (h)

X
dX
t  N A0 
0
 rAV
Moles of A (t=0) Volume (ft3)

Rate of reaction
(lbmol A)/[(h)*(ft3)]
Continuous stirred tank reactors
Design equation for CSTR:
(continuous stirred tank reactors)

Molar flow of A (t=0) Conversion

FA 0 X
V
 rA

Rate of reaction
(lbmol A)/[(h)*(ft3)]
Plug Flow Reactors
 Design equation for PFR:

Volume of Conversion
reactor (ft3)

X
dX
V  FA 0 
0
 rA
Molar flow of A (t=0)

Rate of reaction
(lbmol A)/[(h)*(ft3)]
Packed Bed Reactors
 Design equation for PBR:

Conversion
Weight of catalyst (lb)

X
dX
W  FA 0 
0
 r ' A
Molar flow of A (t=0)

Rate of reaction
(lbmol A)/[(h)*(lb of catalyst)]