BITS Pilani

Pilani Campus

Module 2: Flowsheet synthesis

Lecture-8
Reactor Design
Course: Process Plant Design CE 1705/1701

Nandana Chakinala
Department of Chemical Engineering
CE 1705/1701 Process Plant Design

Strategy
• Choice of reactor is first decision of reactor design and
most important as it effects the product distribution, hence
determines the rest overall separations required

1. Reaction path – studied in process synthesis

2. Reactor type – understand the types of reaction systems
3. Catalysts
4. Size
5. Operating conditions (T & P)
6. Phase
7. Feed conditions (concentration and temperature)

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CE 1705/1701 Process Plant Design

Types of reaction systems

1. Single reactions

2. Multiple reactions in parallel with by-products

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CE 1705/1701 Process Plant Design

Types of reaction systems

3. Multiple reactions in series with by-products

4. Mixed parallel and series reactions

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CE 1705/1701 Process Plant Design

Types of reaction systems

Polymerization reactions
5.1 Free radical/addition

5.1 Polycondensation

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CE 1705/1701 Process Plant Design

Types of reaction systems

6. Biochemical reactions
6.1 Metabolic pathways to convert feed to products
(yeast/algae..)

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CE 1705/1701 Process Plant Design

Types of reaction systems

6.2 reaction promoted by enzymes

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CE 1705/1701 Process Plant Design

Reactor performance

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CE 1705/1701 Process Plant Design

Reaction rate
• Number of moles formed per unit time per unit volume of
reaction mixture

• Constant reactor volume

• Elementary and non-elementary reactions

• Rate constant and order to be determined experimentally
• If reaction mechanism involves multiple steps

• More complex for non-elementary reactions

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CE 1705/1701 Process Plant Design

Idealized reactor models

1. Batch

2. CSTR
• 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

The rate of reaction is high at Ci,in and decreases to Ci,out where it is the lowest. The
area under the curve now represents the space–time.

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CE 1705/1701 Process Plant Design

Idealized reactor models

3. Plug flow
• steady uniform movement of the reactants is assumed,
• No mixing along the direction of flow
• RT in PFR is same for all fluid elements like batch reactor
• The rate of reaction in a CSTR 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.

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CE 1705/1701 Process Plant Design

Idealized reactor models

For heterogeneous reactions, the reaction rate is based on

mass of catalyst rather than reactor volume

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CE 1705/1701 Process Plant Design

Autocatalytic reaction

In contrast, the rate starts low as little product formed

Rate reaches maximum and then decreases
As reactant consumed
Combination suitable to minimize reactor volume

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Choice of idealized reactor model -
guidelines
1. Single irreversible reactions – not autocatalytic
• Isothermal – Always use PFR
• Adiabatic – a. Plug flow if reaction rate decreases with conversion
b. CSTR operating at maximum reaction rate followed
by plug flow
2. Single reversible reaction – adiabatic
• Max T if reaction is endothermic
• Series of adiabatic beds with intermediate cooling if exothermic
Parallel reactions Basic guidelines of reactors
Basic guidelines of reactors
4. Consecutive reactions

• For a certain reactor conversion, the FEED should have a

corresponding residence time in the reactor.
• The mixed-flow model would be expected to give a poorer
selectivity or yield than a batch or plug-flow reactor for a
given conversion.
CE 1705/1701 Process Plant Design

Basic guidelines of reactor

5. Mixed parallel and series

• For parallel by-product reaction, for high selectivity

• The series by-product reaction requires PFR

• So, for mixed reactions, if
• If a1<a2; some level of mixing b/w PFR and CSTR will give best
overall selectivity

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Basic guidelines of reactors
5. Parallel reactions – T effect
Basic guidelines of reactors
6. Series reactions – T effect
E1>E2 → High T at initial stage that favors conversion of A to R,
Low T at later stage that suppresses R to S
E1<E2 → Use low T all along
Effect of reactor cost on EP-3
▪ From I/P-O/P structure max profit is obtained at
zero conversion, and zero purge composition
▪ For zero conversion, recycle flow is infinite
▪ EP3 is determined by subtracting reactor cost,
annualized compressor cost from EP2
▪ Results of HDA process

Not true optimum

Simple analysis rapidly restricting
Range of design variables
CE 1705/1701 Process Plant Design

Reactor Design procedure

What is desired product? Production rate, purity, concentration
Choosing process chemistry: Patent and literature search

Side reactions Competing reactions

Optimum T,P requirement

Reaction kinetics & Catalytic/non

Phase catalytic

Process Most suitable

Development (MEB) catalyst and design

Reaction type and Recycle Separation

Nos system
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CE 1705/1701 Process Plant Design

Reactor design procedure

Auxiliary equipment

Env. Concerns Economic

evaluation
Raw material cost,
cost of equip,
Safety product quality

Design verification

Final
implementation
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CE 1705/1701 Process Plant Design

Basic reactor principles

The mathematical model is based on

1. Reaction rate expression (including mechanism and T
functionality)
2. Material balances (Inflow, outflow, mixing, diffusion
effect)
3. Energy balances (heat reaction, latent and sensible
heats)
4. Economic evaluation
5. Special constraints on reactor system

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CE 1705/1701 Process Plant Design

Non ideality

Non ideality: major cause is imperfect distribution of

material and energy within the reactor due to transport
limitations
Consequences of non ideal transport- non ideal contact b/w
species, reduced reaction rate, undesired reactions,
fouling and kinetic variations due to T variations

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CE 1705/1701 Process Plant Design

Macroscopic and microscopic

level
1. Macroscopic limitation could be due to imperfection in
mechanical design which could lead to incomplete
mixing and inadequate heating/cooling
▪ Could be overcome to some extent
▪ Some control over these limitations could be achieved such as
changing catalyst morphology design
2. Microscopic level transport issues cannot be rectified
by changes or improvements in mechanical design
due to their scale
▪ Usually seen in case of heterogeneous systems like fluid-solid

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 CE 1705/1701 Process Plant Design

RTD

1. Relates reactor flow and its effect on non-ideality

2. Flow pattern produces distribution of particle
residence times that results in distribution of reactants

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CE 1705/1701 Process Plant Design

Catalytic reactions

Homogenous
Heterogeneous
Langmiur-Hinselwood concept
General form of reaction rate

Depending on rate controlling step, reaction order the

specific kinetic expression varies

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CE 1705/1701 Process Plant Design

L-H model

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CE 1705/1701 Process Plant Design

L-H model

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CE 1705/1701 Process Plant Design

Reaction rate

Depending on the rate limiting step and reaction order the

specific kinetic expression varies

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CE 1705/1701 Process Plant Design

Reaction rate

Depending on the rate limiting step and reaction order the

specific kinetic expression varies

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CE 1705/1701 Process Plant Design

Enzymatic reactions

Reactant and enzyme undergo irreversible reaction to form

complex and reactant portion of a complex breaks down
to form product and enzyme is regenerated
General expression

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CE 1705/1701 Process Plant Design

Reactor and catalyst

Selection of catalyst is crucial step in design as it effects

the reactor type, residence time requirement, provide
greater selectivity and reduce capital operating costs
Characteristics of catalyst
• Chemical Composition
• Physical form- solid or liquid-shape and size of catalyst
• Physical structure
• Surface area
• Stability of the catalyst

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Back-up
1. Tutorial
Consider two parallel 1st order isothermal reaction in
a batch or tubular reactor. Assume that reactant is
fed pure.
Use kinetic analysis to determine selectivity as a
function of conversion
S= moles of product / moles of A converted
1. Tutorial - Solution
1. Tutorial - Solution
2. Tutorial
Consider two parallel isothermal reactions in a batch or tubular
reactor. Assume 1st order for first reaction and 2nd order for second
reaction.
Use kinetic analysis to determine selectivity as a function of
conversion
3. Tutorial
Consider 1st order consecutive isothermal reactions
Based on kinetic analysis, develop an expression for
selectivity as a function of conversion
S = Moles of R formed / Moles of A consumed
3. Tutorial - Solution
Write rate expressions of all components
3. Tutorial - Solution
3. Tutorial - Solution
Problem: Synthesis of acetone
from IPA
1. Dehydrogenation of IPA
1. Feed: Azeotrope 70 mol% IPA
2. Heat of reaction 25800 Btu/lbmol
3. Heat capacity 22 Btu/mol oF
4. Reactor conversion 80%
5. Tin = 572oF
6. Heat of reaction is supplied by condensing dowtherm liquid in the
reactor shell, T of condensation 600oF
7. Dowtherm liquid vaporized in a furnace. Thermal efficiency furnace
is 60%, heat losses in the pipe 20%
8. The fuel cost of furnace Rs 500/MMBtu
9. Process operates 8000 hrs/yr
Problem: Synthesis of acetone
from IPA
1. Draw I/P-O/P structure of flowsheet
2. Determine the flow rates of all components at inlet
and outlet of the process
3. Draw recycle structure of the process & determine
the recycle MB
4. Determine the annual fuel cost
5. Determine reactor area
Solution: Synthesis of acetone
from IPA
1. Draw I/P-O/P structure of flowsheet
Solution: Synthesis of acetone
from IPA
1. Draw I/P-O/P structure of flowsheet
Solution: Synthesis of acetone
from IPA
1. Draw I/P-O/P structure of flowsheet
Solution: Synthesis of acetone
from IPA
3. Recycle structure
Per pass conversion 80%
The separation system of the process should contain two distillation
columns, the first removing the main product acetone and second column
removing excess water from IPA to distill off IPA azeotrope, which will be
recycled at reactor inlet
Solution: Synthesis of acetone
from IPA
3. Recycle structure
Solution: Synthesis of acetone
from IPA
5. Reactor heat effect
Solution: Synthesis of acetone
from IPA
4. Annual fuel cost