Process Design

CDB 3044
PROCESS PLANT DESIGN

Synthesis of Reaction System
Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala
Chemical Engineering Department
University Teknologi PETRONAS

Objectives
1. Distinguish and differentiate the various reaction system
2. Select appropriate reactor system according to the reaction system
3. Specify suitable range for the design/operating parameter of reactors

Fundamentals and Selection of Reaction System
What is chemical reactor ?

Chemical Reactors are used to produce high value chemicals from lower value chemicals.
Turton et al., Analysis, Synthesis and Design of Chemical Processes 1998
Chemical Reactor is a device in which change in composition of matter occurs by

chemical reaction. The chemical reaction is normally the most important change, and the
device is designed to accomplish that change.
Missen et al., Chemical Reaction Eng. and Kinetics 1999
Why is chemical reactor such an important unit operation?

Good reactor performance is of paramount importance in determining the economic
viability of the overall design and fundamentally important to the environmental impact
of the process. Smith, Chemical Process Design 1995
….the reactor network strongly influences the character of the entire flowsheet and
consideration on the reactor network has a dominant effect in improving the process.
Biegler, Grossman & Westerberg, Systematic Method of Chemical Process Design 1997

Choice of Reactor
• Since the process design starts with the reactor, the first decisions
are those that lead to the choice of reactor.
• Good reactor performance is of paramount importance in
determining the economic viability of the overall design and
fundamentally important to the environmental impact of the process
• In addition to the desired products, reactors produce unwanted
byproducts
• These unwanted byproducts not only lead to a loss of revenue but
can also create environmental problems
• The best solution to environmental problems is not to employ
elaborate treatment methods, but to not produce waste in the first
place.

Choice of Reactor
• Once the product specifications have been fixed, need to deicide

regarding the reaction path.
• Different paths to the same product should be evaluated
• Example, suppose ethanol is to be manufactured.

• Ethylene could be used as a raw material and reacted with water to
produce ethanol
• An alternative would be to start with methanol as a raw material and
react it with synthesis gas (a mixture of carbon monoxide and
hydrogen) to produce ethanol
• These two paths employ chemical reactor technology.
• A third path could employ a biochemical reaction (or fermentation) that

exploits the metabolic processes of microorganisms in a biochemical
reactor. Ethanol could therefore also be manufactured by fermentation
of a carbohydrate.

Choice of Reactor
The issues that must be addressed for reactor design include
• Reactor type
• Catalyst
• Size
• Operating conditions (temperature and pressure)
• Phase
• Feed conditions (concentration and temperature).

Types of Reaction Systems
Before we look at the reactor selection, we need to understand types of reaction system.
Single Reaction
Feed(s)  Product or
Feed(s)  Product + Byproduct(s)
Example i : Isomerization – without byproduct

Isomerisation is the process by which one molecule is transformed into another molecule which has exactly the same
atoms, but the atoms are rearranged e.g. A-B-C → B-A-C (these related molecules are known as isomers.
Example ii : Production of Acetone from Isopropyl Alcohol – with byproduct
(CH3)2CHOH → CH3COCH3 + H2

Types of Reaction System
Multiple Reaction in Parallel
Feed(s)  Product Feed(s)  Product + Byproduct 1

or
Feed(s)  Byproduct(s) Feed(s)  Byproduct 2 + Byproduct 3
Example : Production of ethylene oxide
Main reaction
CH2=CH2 + 3 O2 → 2 CO2 + 2 H2O Byproduct parallel reaction
2 (CH2CH2)O + 5 O2 → 4 CO2 + 4 H2O Byproduct parallel/series reaction
Multiple reaction will lead to lost of material and at times the byproduct could poison the catalyst

Multiple Reaction in Series
Feed(s)  Product  Byproduct(s) or Feed(s)  Product + Byproduct 1

Product  Byproduct 2
Example : Production of formaldehyde from methanol
2 CH3OH + O2 → 2 HCHO + 2 H2O Main reaction
A series reaction involving the formaldehyde
HCHO → CO2 + H2 Byproduct series reaction
The series reaction could also lead to lost of material and at times the byproduct could poison the
catalyst.

Mixed Parallel and Series Reactions.
Feed(s)  Product Feed(s)  Product

Feed(s)  Byproduct(s) or Feed(s)  Byproduct 1
Product  Byproduct(s) Product  Byproduct 2
Example : Production of ethanolamines from ethylene oxide and ammonia

Monoethanolamine is produced by reacting ethylene oxide with aqueous ammonia; the reaction also produces
diethanolamine and triethanolamine. The ratio of the products can be controlled by changing the stoichiometry of
the reactants
monoethanolamine
O
+
diethanolamine
O
+
triethanolamine

Polymerization Reactions.
Monomer are reacted together to produce a high molar mass polymer. There are 2 broad types of polymer
reactions….
1. Reaction with Termination steps (Addition polymerization or free radical polymerization)

The polymerization process of Addition or Chain-Reaction Polymerization consists of three steps:
Initiation, Propagation and Termination. Example is manufacturing of polyethylene.
The monomer ethylene composed of two carbon atoms, each bonded to two hydrogen atoms
and sharing a double bond with one another.
Polyethylene consists of a chain of single-bonded carbon atoms, each still carrying its two
hydrogen atoms.
The polymerisation to polyethylene involved "free radical polymerization”.
A catalyst (benzoyl peroxide )is used and when heated it splited into two fragments, each with
one unpaired electron, or free radical. These fragments are the initiator fragments. The
unpaired electron seeks a convenient target in the double bond between the carbon atoms
from where it takes the electron and bonds itself to one of the monomer's carbon atoms.
polyethylene

Cont.
The initiating reaction creates another free radical associated with the ethylene
molecule's of the other carbon atom. Ethylene monomers begin attaching themselves in
a chain, creating new radicals each time and lengthening the chain. This stage is called
propagation.
Growing chains may also attach themselves to one another. Eventually, free radical
polymerization stops due termination reactions.
Instead of stealing an electron from double-bonded carbons or a nearby propagating
chain, the carbon atom with the free radical sometimes steals an entire hydrogen atom
from another chain end. The polymer end--robbed of its hydrogen--easily forms a double
bond with its adjacent carbon atom, and polymerization stops.

Polymerization Reactions.
Monomer are reacted together to produce a high molar mass polymer. There are 2 broad types of polymer
reactions….
2. Reaction without Termination steps

The polymer grows by successive esterification with elimination of water (polycondensation) with no
termination step.
Polycondensation takes place between two polyfunctional molecules to produce one larger
polyfunctional molecule, with the possible elimination of a small molecule such as water. The
reaction continues until almost all of one of the reagents is used up; an equilibrium is
established which can be shifted at will at high temperatures by controlling the amounts of the
reactants and products.
The best known polyester being used as a film and as a

fiber is called poly(ethylene terephthalate) (PET).
HO-(CH2)n-COOH + HO-(CH2)n-COOH  HO-(CH2)n-COO- (CH2)n –COOH + H2O

Biochemical reactions.
Biochemical reactions, often referred to as fermentations, can be divided
into two broad types.
1. The reaction exploits the metabolic pathways in selected microorganisms
(especially bacteria, yeasts, moulds and algae) to convert feed material
(often called substrate in biochemical reactor design) to the required product
2. The reaction is promoted by enzymes. (Enzymes are the catalyst proteins

produced by microorganisms that accelerate chemical reactions)
Unlike reactions involving microorganisms, in enzyme reactions the catalytic
agent (the enzyme) does not reproduce itself

REACTOR TYPES
There are several basic types of reactor …
REACTOR
RECYCLE REACTOR
CSTR
PLUG FLOW
BATCH REACTOR PLUG FLOW
Continuous
COMBINATION OF PLUG
CSTR CSTR
FLOW AND CSTR
And how do they differ ?
Application type
Operation wise
Conversion and Selectivity
Performance

Consider a more complex reaction …..
A + C  E + F E is the product
F + C  H
For such complex reaction case, Douglas (1998) noted that frequently the reaction kinetics
cause the conversion and selectivity to be in conflict with each other.
A low selectivity is achieved A high selectivity is achieved

with high reactor conversion with low reactor conversion
spectrum of operation
Concern is to get conversion and selectivity to be as high as possible
Using single (simple) reactor will not allow high

values on conversion and selectivity !

Looking back at the reaction …..
A + C ====> E + F E is the product
F + C ====> H
Maintaining as high concentration of A & C will ensure high reaction kinetics.

What reactor would be suitable here….
PLUG FLOW
However, high concentration of C and F will lead to more production of H.

What reactor would be suitable here….
So, what would be the suitable reactor here ??????

CSTR
REACTOR NETWORK !
CSTR
PLUG FLOW
This is actually possible in a complex

CSTR reactor unit - advanced design
REACTOR PERFORMANCE MEASURES
CONVERSION
REACTANT CONSUMED IN THE REACTOR
SINGLE PASS
REACTANT FED TO THE REACTOR
REACTANT CONSUMED IN THE PROCESS

OVERALL
REACTANT FED TO THE PROCESS
SOME
ADDITIONAL
NOTE :
SELECTIVITY
REACTOR
PERFORMANCE DESIRED PRODUCT PRODUCED
STOICHIOMETRIC
x FACTOR
REACTANT CONSUMED IN THE REACTOR
REACTOR YIELD
DESIRED PRODUCT PRODUCED STOICHIOMETRIC
x FACTOR
REACTANT FED TO THE REACTOR

CONVERSION
WHICH ONE DO YOU THINK IS MORE MEANINGFUL ?
SELECTIVITY REACTOR YIELD
CONSIDER : Unwanted formation of byproducts

Unreacted feed which are recyclable
High reactor conversions are neither necessary nor desirable for optimum reactor
performance. At low reactor conversions, high overall conversions can be achieved
with increased recycle.
Competitions from undesired reactions limits conversion to the desired products.

Example – Calculation for reactor performance
Benzene is to be produced from Toluene based on the reaction;
C6H5CH3 + H2  C6H6 + CH4

But there is a side reaction to produce diphenyl;
2 C6H6  C12H10 + H2
Below is the composition of reactor feed and effluent;
Component Inlet Flowrate (kmol/hr) Outlet Flowrate (kmol/hr)

Hydrogen 1858 1583
Methane 804 1083
Benzene 13 282
Toluene 372 93
Diphenyl 0 4
Calculate conversion, selectivity and reactor yield with respect to;
a. toluene feed
b. hydrogen feed

Calculation based on Toluene
Toluene conversion = (toluene consumed) / (toluene feed)

= (372-93) / 372 = 0.75
Stoichiometric factor : 1 mol toluene to produce 1 mol benzene
Benzene selectivity from Toluene = benzene produced / toluene consumed

= [ (282 – 13) / (372 – 93) ] x 1 = 0.96
Reactor yield from Toluene = [benzene produced / toluene fed to reactor] X Stoichiometric Factor
(Benzene) = [ (282 – 13) / (372) ] x 1 = 0.72
Calculation based on Hydrogen

Hydrogen conversion = (hydrogen consumed) / (hydrogen feed)
= (1858 - 583) / 1858 = 0.15
Stoichiometric factor : 1 mol hydrogen to produce 1 mol benzene
Benzene selectivity from Toluene = benzene produced / hydrogen consumed
= [ (282 – 13) / (1858 – 1583) ] x 1 = 0.98
Reactor yield from Toluene = [benzene produced / hydrogen fed to reactor] X Stoichiometric Factor
(Benzene) = [ (282 – 13) / (1858) ] x 1 = 0.14
Because there are two feeds to this process, the reactor performance can be calculated with respect to both
feeds. However, the principal concern is performance with respect to toluene, since it is more expensive
than hydrogen.

Rate of a reaction
The rate of reaction is the number of moles formed with respect
to time, per unit volume of reaction mixture
The rate is
negative if the
component is a
reactant and
If the volume of the reactor is constant (V = constant) positive if it is a
product

Rate of a reaction
For the general irreversible reaction
The rates of reaction are related by
The exponent for

the concentration
If the rate-controlling step in the reaction is the collision of (b, c, . . .) is
the reacting molecules, then the equation to quantify the known as the
reaction rate will often follow the stoichiometry such that order of reaction
where

Rate of a reaction
• The reaction rate constant is a function of temperature

• Reactions for which the rate equations follow the
stoichiometry are known as elementary reactions
• If there is no direct correspondence between the reaction
stoichiometry and the reaction rate, these are known as
nonelementary reactions
• The reaction rate constant and the orders of reaction must be
determined experimentally
• If the reaction mechanism involves multiple steps involving
chemical intermediates, then the form of the reaction rate
equations can be of a more complex
• If the reaction is reversible and the forward and reverse
reactions are nonelementary, perhaps involving the formation
of chemical intermediates in multiple steps, then the form of
the reaction rate equations can be more complex

Idealized Reactor Models
Three idealized models are used for the design of reactors

• Ideal-batch
• Mixed-flow or continuous well-mixed
or continuous-stirred-tank (CSTR)
• Plug-flow

Ideal-batch
• The reactants are charged at the beginning of the operation

• The contents are subjected to perfect mixing for a certain
period, after which the products are discharged
• Concentration changes with time, but the perfect mixing
ensures that at any instant the composition and temperature
throughout the reactor are both uniform
Ideal batch model

Mixed-flow or continuous well-mixed
or continuous-stirred-tank (CSTR)
• Feed and product takeoff are both continuous, and the reactor
contents are assumed to be perfectly mixed.
• This leads to uniform composition and temperature throughout
the reactor
• Because of the perfect mixing, a fluid element can leave the
instant it enters the reactor or stay for an extended period
• The residence time of individual fluid elements in the reactor
varies
Mixed-flow reactor

Plug-flow
• A steady uniform movement of the reactants is assumed with

no attempt to induce mixing along the direction of flow
• Similar to the ideal-batch reactor, the residence time in a
plug-flow reactor is the same for all fluid elements
Plug-flow reactor (PFR).
• Plugflow operation can be approached by using a number of mixed-

flow reactors in series
• The greater the number of mixed-flow reactors in series, the closer is
the approach to plug-flow operation
A series of mixed-flow reactors

approaches plug-flow
Ideal-batch reactor
Consider a batch reactor in which the feed is charged at the
beginning of the batch and no product is withdrawn until the batch
is complete
Integration of the equation gives:

Ideal-batch reactor
In terms of reactor conversion Xi
Integration of the equation gives:
From the definition of reactor conversion, for the special case of a

constant density reaction mixture

Ideal-batch reactor
Substituting and
in
gives
Integration of the equation gives

Mixed-flow reactor
Consider the mixed-flow reactor in which a feed of Component i is reacting
A material balance for Component i per unit time gives
can be written per unit time as
Rearranging equation

Mixed-flow reactor
Substituting
For the special case of a constant density system

Space-Time
Time required to process one reactor volume of feed
Space-time based on the feed conditions
Space-Velocity
The reciprocal of space-time is space-velocity

Mixed-flow reactor
For the mixed-flow reactor with constant density
Rate of reaction in a mixed-flow reactor
Concentration versus reaction rate.

Plug-flow reactor
Consider now the plug-flow reactor, in which Component i is
reacting. A material balance can be carried out per unit time
across the incremental volume dV
Equation can be written per unit time as
where Ni = moles of Component i per unit time
Rearranging equation gives
Substituting the reactor conversion into Equation
where Ni,in = inlet moles of Component i per unit time

Plug-flow reactor
Rearranging equation
Integration of equation
An ideal-batch reactor
is same as that of a
plug-flow reactor
Writing in terms of the space–time All fluid elements
have the same
residence time in both
cases
For the special case of constant density systems

Plug-flow reactor
Rate of reaction in a plug-flow reactor
Concentration versus reaction rate.

Comparison of mixed-flow and plug-flow reactors
The mixed-flow reactor requires a larger volume compare to plug flow

reactor
The rate of reaction in a mixed-flow reactor is uniformly low as the
reactant is instantly diluted by the product that has already been formed
In a plug-flow or ideal-batch reactor, the rate of reaction is high initially
and decreases as the concentration of reactant decreases
By contrast, in an autocatalytic reaction, the rate starts low, as little

product is present, but increases as product is formed
The rate reaches a maximum and then decreases as the reactant is
consumed
In such a situation, it would be best to use a combination of

reactor types

Comparison of mixed-flow and plug-flow reactors
for autocatalytic reaction
The rate starts low, as little product is present,

but increases as product is formed.
The rate reaches a maximum and then
decreases as the reactant is consumed

Choice of Idealized Reactor Model
Single reactions
• The highest rate of reaction is maintained by the highest concentration of

feed (CFEED, kmolm−3)
• In the mixed-flow reactor the incoming feed is instantly diluted by the
product that has already been formed. As a result the rate of reaction is
lower in the mixed-flow reactor than in the ideal-batch and plug-flow
reactors
• A mixed-flow reactor requires a greater volume than an ideal-batch or
plug-flow reactor.
• For single reactions, an ideal-batch or plug-flow reactor is preferred.

Multiple reactions in parallel producing byproducts

The ratio of the rates of the secondary and primary reactions
For maximum selectivity the ratio r2/r1 should be minimum

A batch or plug-flow reactor maintains higher average concentrations of feed
(CFEED) than a mixed-flow reactor, in which the incoming feed is instantly diluted
by the PRODUCT and BYPRODUCT.
If a1 > a2 in the primary reaction to PRODUCT is favored by a high
concentration of FEED.
If a1 < a2 the primary reaction to PRODUCT is favored by a low concentration
of FEED.
Thus, if
• a2 < a1, use a batch or plug-flow reactor.
• a2 > a1, use a mixed-flow reactor.
Reaction System
Rate Equations
Ratio to Minimize
a2 > a1 a2 < a1

If the reaction involves more than one feed
The ratio that needs to be minimized is given by
• To keep both CFEED1 and CFEED2 low use a mixed-flow reactor

• To keep both CFEED1 and CFEED2 high use a batch or plug-flow reactor
• To keep one of the concentrations high while maintaining the other low
by charging one of the feeds as the reaction progresses
Reaction System
Rate Equations
Ratio to Minimize
a2 > a1 and b2 > b1 a2 > a1 and b2 < b1
Semi-Batch
Semi-Plug-Flow
Mixed-Flow

Reaction System
Rate Equations
Ratio to Minimize
a2 < a1 and b2 > b1 a2 < a1 and b2 < b1
Semi-Batch
Batch
Semi-Plug-Flow
Plug-Flow
Multiple reactions in series producing byproducts
A batch or plug-flow reactor should be used for multiple reactions in series
or

Mixed parallel and series reactions producing byproducts
For a1 > a2, use a batch or plug-flow reactor

For a1 < a2, use a mixed-flow reactor or combination
The arrangement that gives the highest overall selectivity can only be
deduced by a detailed analysis and optimization of the reaction system.
Polymerization reactions
In a batch or plug-flow reactor, all molecules have the same

residence time, and without the effect of termination all will grow to
approximately equal lengths
The mixed-flow reactor maintains a uniform concentration of

monomer and thus a constant chain-termination rate.
Biochemical reactions
Rate equation gives the same

The kinetics of biochemical characteristic curve as
reactions can be described autocatalytic reactions.
by the Monod Equation Depending on the
concentration range, a
combination of mixed-flow and
plug-flow or mixed-flow with
separation and recycle might
be appropriate
Biochemical reactions
The kinetics can be described by the Monod Equation
A plug-flow or ideal-batch reactor is favored if both the

feed material and enzymes are to be fed to the reactor

Reactor Conditions
Catalysts
Homogeneous catalysts
• With a homogeneous catalyst, the reaction proceeds entirely in either the
vapor or liquid phase
• The catalyst may modify the reaction mechanism by participation in the
reaction but is regenerated in a subsequent step
• In general, heterogeneous catalysts are preferred to homogeneous catalysts
because the separation and recycling of homogeneous catalysts often can be
very difficult
• Loss of homogeneous catalyst not only creates a direct expense through loss
of material but also creates an environmental problem
Heterogeneous catalysts
• The catalyst is in a different phase from the reacting species
• Mostly, the heterogeneous catalyst is a solid, acting on species in the
liquid or gas phase
• Bulk catalytic materials, in which the gross composition does not
change significantly through the material
• Supported catalysts, in which the active catalytic material is dispersed
over the surface of a porous solid

Reactor Configuration
Temperature control
Cold shot and hot shot
• The injection of cold fresh feed
directly into the reactor at
intermediate points, known as cold
shot
• Extremely effective for control of
temperature in exothermic reactions
• This not only controls the
temperature by direct contact heat
transfer through mixing with cold
material but also controls the rate of
reaction by controlling the
concentration of feed material
• If the reaction is endothermic, then fresh

feed that has been preheated can be
injected at intermediate points, known as
hot shot
Cold shot reactor
Temperature control
Indirect heat transfer with the reactor
• A heat transfer surface

inside the reactor,
such as carrying out
the reaction inside a
tube and providing a
heating or cooling
medium outside of the
tube
• Or material could be
taken outside of the
reactor at an
intermediate point to a
heat transfer device to Tubular reactor
provide the heating or
cooling and then
returned to the reactor

Temperature control
Heat carrier
• An inert material can be introduced with the reactor feed to increase its heat
capacity flow rate and to reduce the temperature rise for exothermic
reactions or reduce temperature fall for endothermic reactions.
• Excess of feed material could be used to limit the temperature change,
effectively decreasing the conversion, but for temperature control purposes.
• Product or by product could be recycled to the reactor to limit the
temperature change, but care must be taken to ensure that this does not
have a detrimental effect on the selectivity or reactor yield

Temperature control
Catalyst profiles
• With the uniform distribution of catalyst a high heat release would be

expected close to the reactor inlet, where the concentration of feed
material is high
• The heat release would then gradually decrease through the reactor
• A high level of heat release that the cooling medium does not remove
completely in the early stages, reaching a peak and then decreasing
towards the reactor exit as the rate of heat release decreases
• Using a zone with a catalyst design with low effectiveness at the inlet
and zones with increasing effectiveness through the reactor would
control the rate of reaction to a more even profile through the reactor,
allowing better temperature control

Catalyst Degradation
• Physical loss
• Surface deposits
• Sintering
• Poisoning
• Chemical change
• The rate at which the catalyst is lost or degrades has a major

influence on the design of the reactor.
• An operating policy of gradually increasing the temperature of the
reactor through time can often be used to compensate for this
deterioration in performance.
• If degradation is rapid, the reactor configuration must make
provision to removing the degraded catalyst and introduce fresh
catalyst on a continuous basis.

Gas–liquid reactors
• The interface between a gas and a liquid that is assumed to have a flow
pattern giving a stagnant film in the liquid and the gas on each side of
the interface
• The bulk of the gas and

the liquid can be
assumed to have a
uniform concentration.
• Reactant A must
transfer from the gas to
the liquid for the
reaction to occur.
• There is diffusional
resistance in the gas
film and the liquid film
The gas–liquid interface

Expression for the rate of transfer of component i from gas to liquid
through the gas film per unit volume of reaction mixture

Expression can also be written for the rate of transfer of component i
through the liquid film, per unit volume of reaction mixture

If equilibrium conditions at the interface are assumed to be described
by Henry’s Law
• The Henry’s Law constant varies

between different gases and must be
determined experimentally

• Consider an extreme case in which there is no resistance to
reaction and all of the resistance is due to mass transfer
• If steady state is assumed (NG,i = NL,i = Ni), then the equations can
be combined to obtain
kG,i, kL,i and AI are

functions of
or physical
properties and
the contacting
arrangement

Typical arrangements that can be used to carry out gas-liquid reactions
Counter-current
Co-current In-line static Spray column Bubble column Agitated tanks
packed bed or plate
packed bed mixer
column
Liquid–liquid reactors
Typical arrangements that can be used to carry out liquid-liquid reactions
Agitated tank
with settler
Counter-current Multi-stage Spray column Spray column
packed bed or plate In-line static
agitated with light liquid with heavy liquid
column mixer
contactor dispersed dispersed
Heat transfer to and from stirred tanks
Stirred tank with external Stirred tank with internal

jacket coil

Heat transfer to and from stirred tanks
Stirred tank with external heat Stirred tank with reflux for heat
exchanger removal

Heat transfer arrangements for fixed-bed catalytic reactors
Adiabatic fixed bed Cold shot or hot shot

Heat transfer arrangements for fixed-bed catalytic reactors
Fixed bed with intermediate Tubular reactor with

cooling/heating indirect cooling/heating

A moving bed or fluidized bed allows the catalyst to be continuously

withdrawn and regenerated
Moving bed
hydrocracker
reactor

A moving bed or fluidized bed allows the catalyst to be continuously

withdrawn and regenerated
Fluidized bed
catalytic cracker
reactor

Summary
We have looked at the following
Types of Reaction System: Parallel, Series Parallel, Polymerization etc.

Reactor Models: Selection of Suitable Reactor for a Specified Reaction
System
Plug flow
CSTR
Semi Plug flow
Choice of Reactor Model
Reactor Conditions
Together, they form the overall guidelines for deciding the conceptual
design for the reactor/reactor network

• © 2017 INSTITUTE OF TECHNOLOGY PETRONAS SDN BHD
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Process Design

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CDB 3044

PROCESS PLANT DESIGN

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

1. Distinguish and differentiate the various reaction system

2. Select appropriate reactor system according to the reaction system

3. Specify suitable range for the design/operating parameter of reactors

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

What is chemical reactor ?

Chemical Reactor is a device in which change in composition of matter occurs by

Why is chemical reactor such an important unit operation?

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

• Once the product specifications have been fixed, need to deicide

• Different paths to the same product should be evaluated

• Example, suppose ethanol is to be manufactured.

• A third path could employ a biochemical reaction (or fermentation) that

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

The issues that must be addressed for reactor design include

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

Example i : Isomerization – without byproduct

Example ii : Production of Acetone from Isopropyl Alcohol – with byproduct

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

Multiple Reaction in Parallel

Feed(s)  Product Feed(s)  Product + Byproduct 1

Example : Production of ethylene oxide

CH2=CH2 + 3 O2 → 2 CO2 + 2 H2O Byproduct parallel reaction

2 (CH2CH2)O + 5 O2 → 4 CO2 + 4 H2O Byproduct parallel/series reaction

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

Multiple Reaction in Series

Feed(s)  Product  Byproduct(s) or Feed(s)  Product + Byproduct 1

2 CH3OH + O2 → 2 HCHO + 2 H2O Main reaction

A series reaction involving the formaldehyde

HCHO → CO2 + H2 Byproduct series reaction

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

Mixed Parallel and Series Reactions.

Feed(s)  Product Feed(s)  Product

Example : Production of ethanolamines from ethylene oxide and ammonia

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

1. Reaction with Termination steps (Addition polymerization or free radical polymerization)

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

2. Reaction without Termination steps

The best known polyester being used as a film and as a

HO-(CH2)n-COOH + HO-(CH2)n-COOH  HO-(CH2)n-COO- (CH2)n –COOH + H2O

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

2. The reaction is promoted by enzymes. (Enzymes are the catalyst proteins

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

And how do they differ ?

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

A low selectivity is achieved A high selectivity is achieved

Concern is to get conversion and selectivity to be as high as possible

Using single (simple) reactor will not allow high

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

Maintaining as high concentration of A & C will ensure high reaction kinetics.

However, high concentration of C and F will lead to more production of H.

So, what would be the suitable reactor here ??????

This is actually possible in a complex

REACTANT CONSUMED IN THE PROCESS

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

SELECTIVITY REACTOR YIELD

CONSIDER : Unwanted formation of byproducts

Dr. Mohd Hilmi Noh & Dr. Rajashekhar Pendyala

Benzene is to be produced from Toluene based on the reaction;