BITS, PILANI – K. K.

BIRLA GOA CAMPUS

KINETICS & REACTOR DESIGN

2023 - 2024
PROF. SRINIVAS KRISHNASWAMY
PROFESSOR &
Dr. SAURABH PATNAKAR
DEPARTMENT OF CHEMICAL ENGINEERING
BITS PILANI, K. K. BIRLA GOA CAMPUS
Lecture information

 M W F : 9:00 am

 Instructor for Tutorial: Dr. Saurabh

Patankar;

 Tutorial timings: Tuesday 8:00 am

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What is KRD or CRE?
 Study of reaction rates and reaction
mechanisms
 Deals with chemically reactive systems of
engineering significance
 It quantifies the interactions of transport
phenomena and reaction kinetics in relating
reactor performance to operating conditions
and feed variables
 Helps you design safe, energy and cost
efficient reactors to yield required quality
products
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What is this course important?

 Continuous need to improve existing processes

 Continuous development of new processes to

replace existing ones

 Use of improved feedstocks

 Increased quality products

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Information needed to predict
what a reactor can do

INPUT OUTPUT
REACTOR

CONTACTING KINETICS
PATTERN

OUTPUT = F (INPUT, KINETICS, CONTACTING)

PERFORMANCE EQUATION

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What is involved in reactor design?
Mass
Heat Fluid
Transfer
Transfer Mechanics

REACTANT(S) PRODUCT
REACTOR
(Ethylene)
(Ethane)

Thermodynamics Reaction
Kinetics

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Is KRD difficult?

All truths are easy to understand once they are

discovered; the point is to discover them.
Galileo Galilei

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KRD Applications (Ethylene
production)

C 2 H6 → C 2 H4 + H 2
(High-temperature tubular reactors) – 1200 oC

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 KRD Applications (Smog formation)

Allows us to estimate the

extent of smog formation ...

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KRD Applications (Catalyst Converter)
KRD Applications (Bio-kinetics)

 The challenge is to
grow large quantities
of viable cell….
 KRD Applications (Pharmacokinetics)

KRD can be applied to describe

Human body-drug interaction

http://habanero.ibme.wustl.edu/PK-model.jpg
KRD Applications (Fuel Cells)

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KRD Applications (Micro-fluidics)

Channel Channel Micro-channels

on a wafer

Compact reactors for compact fuel cells

Production of hazardous chemicals in controlled quantities
Potential application in bio-chemical systems
Reaction Nomenclature
 Homogeneous reaction : One phase
 Heterogeneous reaction: At least 2 phases
 There is not always a clear cut (biological
reactions, burning gas flame): Non-
homogeneity in composition and temperature
exist
 Catalytic reactions
 Single / Multiple reactions

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Rate of reaction ( - rA)
 Tells us how fast a number of moles of one
chemical species are being consumed to form
another chemical species
 Species – Component or element with given
identity (kind, number or configuration of
atoms)
 Effect chemical and physical properties
 Chemical reaction – Identity loss due to change
in structure or configuration of atoms
 Decomposition, Combination and Isomerization

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Rate of reaction ( -rA)
To Summarize a given number of molecules of a chemical
species has reacted or disappeared if the molecules lose
their chemical identity

Chloral + Chlorobenzene → DDT + water

A + 2B → C + D

Rate of reaction of A i.e. –rA is the number of moles of A

reacting or disappearing per unit time per unit volume
(mol / m3.s)

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Species losing Identity

Three ways a chemical species can lose

its chemical identity:

1.Decomposition

2.Combination

3.Isomerization

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Rate of reaction ( -rA)
To Summarize a given number of molecules of a chemical
species has reacted or disappeared if the molecules lose
their chemical identity

Chloral + Chlorobenzene → DDT + water

A + 2B → C + D

Rate of reaction of A i.e. –rA is the number of moles of A

reacting or disappearing per unit time per unit volume
(mol / m3.s)

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Rate of reaction ( -rA)

Example: A → B
If B is being created at 0.2 moles /dm3/s

rB = 0.2 mole/dm3/s, then A is disappearing at

the same rate: -rA = 0.2 mole/dm3/s

For a catalytic reaction, we refer to -rA',

which is the rate of disappearance of species A
on a per mass of catalyst basis
In the context of catalytic reactions, "per mass of catalyst basis" means that the rate of reaction is measured
in relation to the amount of catalyst present.

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Rate of reaction ( -rA)

Wish things were so

easy and simple!!!

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Rate of reaction ( -rA) : Issues
 Mathematical definition of rate
 The Sodium Hydroxide example
 General definition
 Rate equation is an algebraic equation
 -rA = f (species conc., temp, pressure, catalyst
type) at any point in the system
 Rate equation is independent of reactor type

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Take a break.. Solve a problem

Consider the reaction in which the rate of disappearance

of A is 5 moles of A per dm3 per second at the start of
the reaction. (A + 2B → 3C)

At the start of the reaction

(a) What is -rA? 5
(b) What is the rate of formation of B? 10
(c) What is the rate of formation of C? 15
(d) What is the rate of disappearance of C?
(e) What is the rate of formation of A, -rA?
(f) What is -rB?
d)c is not disappearing so rate of disappearing of c is 0

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 read book of this - pg no-8

The General mole balance equation

doubt: why are we not considering generation in this equation?

❑ System variables
spatially uniform
❑ This is modeling
❑ Spatial variation makes
things more complex
ye kaise aaya

Accumulation :This term represents the change in the number of moles of species
A within the system over time. If the number of moles of
A in the system is increasing, this term will be positive; if it is decreasing, the term will be negative.

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 Batch Reactor

Uniform concentration varying with time

the concept of uniform concentration varying with time means that the concentration of the reactants and products is the
same throughout the reactor at any given moment but changes as the reaction progresses over time.

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Batch Reactor design equation
No inflow or outflow-

Assumptions

Well mixed

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Continuous flow reactors (CSTR)

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Continuous flow reactors (PFR)

The reactor is well-mixed, meaning that the concentration of reactants and products is uniform throughout the reactor at
any given time.

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In a CSTR operating at steady-state, the conditions inside the reactor do not change with time. This means that:

The concentrations of reactants and products remain constant over time.

The flow rates of the inlet and outlet streams are steady and do not vary with time.

Continuous flow reactors (PBR)

Accumulation refers to the change in the number of moles of a species in the reactor over time.
At steady-state, there is no net change in the number of moles of reactants or products within the reactor. The amount of
material entering the reactor is exactly balanced by the amount leaving, plus or minus what is generated or consumed.

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 CSTR design equation
Assumptions

• Well mixed
• Temp and concentration same
at exist and outlet
• Steady State (Time derivative zero)

IMPLICATION

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characterized by the flow of reactants through a cylindrical pipe where the chemical reaction occurs. The key feature of a PFR is
that the fluid flows through the reactor in a "plug" manner, meaning that there is no mixing in the flow direction (axial direction),
V
but there may be mixing in the radial direction.

FA FA


PFR design equation  

V V + V


Assumptions

• Axial Concentration variation

• No radial variation
• Steady State (Time derivative zero)

IMPLICATION

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Flow Pattern:
The flow of reactants in a PFR is assumed to be in the form of "plugs," where each plug of fluid moves through the reactor with
the same velocity.
The concentration, temperature, and reaction rate can vary along the length of the reactor, but at any given cross-section
perpendicular to the flow, these properties are uniform.

PFR design equation

In a PFR, there is no back-mixing or axial mixing (mixing along the flow direction). This means that the reactants entering
32 the reactor do not mix with the products downstream, and each fluid element has a different residence time, depending
on its position along the reactor length.
PFRs are typically operated under steady-state conditions, meaning that the concentrations, temperatures, and other variables
at any given position in the reactor do not change with time.

PBR design equation

Assumptions

• Axial Concentration variation

• No radial variation
• Steady State (Time derivative zero)
• Heterogeneous reactions

Implication of differential
and integral form

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CSTR vs. PFR:
In a CSTR (Continuous Stirred-Tank Reactor), the contents are well-mixed, resulting in a uniform concentration throughout the reactor. In contrast, a PFR has a
concentration gradient along its length.
PFRs are generally more efficient than CSTRs for certain reactions because the reactants are immediately exposed to the maximum concentration, leading to higher
reaction rates.
Batch Reactor vs. PFR:
A Batch Reactor is operated in a closed system where the reactants are added, the reaction occurs over time, and the products are removed at the end. In contrast, a PFR is

Bored and Angry!!! Problem Time

a continuous process where reactants flow in and products flow out continuously.

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Multiple Choice

Which equation is used in arriving at the design

equation for a batch reactor?

A. Gj = V * rj

B. dNj/dt = 0

C. Fjo = Fj = 0

D. E=mc2

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Batch Reactor time

Calculate the time to reduce the number of moles

by a factor of 10 in a batch reactor for the above
reaction with -rA = kCA, when k = 0.046 min-1

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Did I forget something?

CA = NA / V

FA = CA v

PV = NRT

You know me. I do

this deliberately.

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 fogler solution- pg-1-26

Signs of Things to come

A 200-dm3 constant-volume batch reactor is pressurized to 20 atm.

with a mixture of 75% A and 25% inert. The gas-phase reaction is
carried out isothermally at 227 oC.

a. Assuming that the ideal gas law is valid, how many

moles of A are in the reactor initially? What is the initial
concentration of A?

b. If the reaction is first order:

Calculate the time necessary to consume 99% of A.

V = 200-dm3
P = 20 atm c. If the reaction is second order:
T = 227 oC
calculate the time to consume 80% of A. Also calculate the
pressure in the reactor at this time if the temperature is 127 oC

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Industrial Reactors

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Industrial Reactors

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Industrial Reactors

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Objective Assessment of Chapter
 Understand the importance of KRD in the
context of the Chemical Engg. curriculum
 Understand rate of a reaction
 Getting familiar with modeling through
general mole balance
 Understand type of reactors and design
equations for the same
 Start solving KRD problems

Now this is not the end. It is not even the

beginning of the end. But it is, perhaps,
the end of the beginning.

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