REACTOR

DESIGN

undamentals of Reactor Design

Chemical Reaction Engineering
A specialty in chemical
engineering or industrial chemistry
dealing with chemical reactors.

Chemical Reaction
Chemical Energetics
Chemical Kinetics
Thermodynamics
Fluid Mechanics
Heat Transfer
Mass Balance

Chemical REACTION
Brief representation of the
chemical change in terms of
symbols and formulas of the
reactants called chemical equation
Example:

Zn + HCl ZnCl2 + H2

Daltons Atomic Theory

atoms are neither created nor

destroyed
Skeleton Equations

chemical equation which no

attempt has been made to
equalize the number of atoms
of various elements

Balancing Chemical Equation

to equitize the number of

atoms of various elements
Balanced Chemical Equation

a chemical equation in which

the number of atoms of each
element in the reactant side is
equal to the product side
Example:
Zn + 2 HCl ZnCl2 + H2

Conditions:

a. It should represent a true chemical

change.
b. It should be balanced.
c. It should be molecular.
Significance:

o Qualitative Significance
o Quantitative Significance

Qualitative Significance
A chemical equation shows
the various names of
reactants and products.
Example:

2H2 + O2 2H2O

Quantitative significance
It expresses:
The relative number of molecules
of the reactants and products
The relative number of moles of
reactants and products
The relative volumes of gaseous
reactants and products

Example:

2H2 + O2 2H2O
o Two molecules of hydrogen react with one
molecule of oxygen to form two molecules of
water.
o Two moles of hydrogen react with one mole
of oxygen to form two moles of water.
o Two volumes of hydrogen react with one
volume of oxygen to form two volumes of
water vapor.

o 4g of hydrogen with 32g of oxygen to form

36g of water.
Atomic Mass:

H2 = 1 g
O2 = 16 g
2H2
O2
2H2O

(4)(1g) = 4g
(2)(16g) = 32g
= 36g

the Chemical Equation More Informative:

The physical states of reactants and products
can be indicated by using the abbreviations

(aq)
(aq) 2 (g) +
Zn(s) + 2HCl
ZnCl
H2
In order to indicate the strength of acid or
base, dil for dilute or conc for concentration
is written before the formula of acid or base.

(aq)HCl
(aq)
Zn(s) +dil2
ZnCl2(g)
+ H2

 The reaction conditions such as presence of

catalyst, temperature, pressure, etc., may be
written above the arrow between the reactants
and products.
V2O5, 7750K

Heat change taking place during the reaction

N2(g) + 3H2(g) 2NH3(g) + 93.6 KJ

or
N2(g) + 3H2(g) 2NH3(g)
H* = -93.6 KJ

*H (change in enthalpy) that is heat evolved

or absorbed in a reaction at constant
temperature and pressure.
Enthalpy is the amount of heat content used
or released in a system at constant pressure.

Stoichiometry
derived from the Greek words
Stoicheron - element
Metron - measure.
area of chemistry and chemical technology
on which determination of quantities of
reactants and products of chemical reaction
is based.

Chemical Kinetics
The study of chemical reaction rates and reactor
mechanisms.
Reaction Kinetics is the branch of chemistry
that quantifies rates of reaction.
Where:
K = rate constant
C = concentration of
substance
.. = order of reaction

The Collision Theory of Reaction Rates

Qualitatively explains how chemical

reactions occur and why reaction rates
differ for different reactions.
Molecules must collide before they can react.
Arrhenius Equation

formula for the temperature dependence of

the reaction rate constant

Arrhenius Equation
R = universal gas constant
(8.314 x 10^-3 kJ/ mol K)
T = temperature (K)
Where:
K = reaction rate
A = the pre-exponential factor
(frequency factor)
Ea = the activation energy / Energy barrier that must be
exceeded in order for molecules to have sufficient energy for
collision. (J/mol)

SAMPLE PROBLEM:
The reaction:
has a rate
coefficient of 1.0 x 10-10 s-1 at 300 K and an
activation energy of 111 kJ mol-1. What is the
rate coefficient at 273 K?
Given:
@ Condition 1

K = 1.0 x 10-10s1

Ea = 111 kJ mol1

T1 = 300 K

@ Condition 2

T2 = 273 K
Reqd:
K2 = ?

Solution:

1.0 x 10-10/s

- 111 kJ/ mol

(8.314 x 10-3 kJ / mol-K)(300K)

A = 2.13 x 109 / s

(2.13 x
=

111 kJ/ mol

9 (8.314 x 10-3 kJ / mol-K)(273K)
10 / s)

K = 1.23 x 10-12 /s

Chemical Energetics
The branch of science which deals with the
energy changes associated with chemical
reactions.

Energy

Produc
ts

Reacta
nts

Progress of
Reaction

Exothermic
Change
Reacta
nts

Energy

Endothermic
Change

Produc
ts

Progress of
Reaction

Thermodynamics
The branch of science which deals with the
quantitative relationship between heat and
other forms of energies.
Laws of Thermodynamics
First Law: Conservation of Mass Principle
Second Law: entropy of any isolated system almost
always increases not thermal equilibrium almost
always increases
Third Law: entropy approaches constant value as the
temperature approaches absolute zero

Therefore the design of a reactor must satisfy the

following requirements:
o Chemical Factors (Kinetics)
o Mass Transfer Factors
o Heat Transfer Factors
o Safety Factors
o Economic Factors
Design Procedure and Reactor Designing
An industrial chemical reactor is a complex device
in which heat transfer, mass transfer, diffusion and
friction must be considered and it must be safe and
controllable.

General Procedure For Reactor Design

1. The kinetic and thermodynamic data on the desired
reaction is initially collected. Values will be needed for
the rate of reaction over a range of operating
conditions, for example, pressure, temperature, flow
rate and catalyst concentration. This data may be
normally obtained from either laboratory or pilot plant
studies.
2. Data on physical properties is required for the design
of the reactor. This may be either estimated, or
collected from the literature or obtained by taking
laboratory measurements.

3. The rate controlling mechanism which has a

predominant role is then identified, for example,
kinetic, mass or heat transfer.
4. A suitable reactor type is then chosen, based on
experience with similar studies or from the laboratory
and pilot plant work.
5. Selection of optimal reaction conditions is initially
made in order to obtain the desired yield.
6. The size of the reactor is decided and its performance
estimated. Since exact analytical solutions of the design
relationship are rarely possible, semi-empirical methods
based on the analysis of idealized reactors are used.

7. Materials for the construction of the reactor is/are

selected.
8. A preliminary mechanical design for the reactor
including the vessel design, heat transfer surfaces etc.,
is made.
9. The design is optimized and validated.
10. An approximate cost of the proposed and validated
design is then calculated.

Reactor Designing Mathematical Models

A model of a reaction process is a set of data and equation
that is believed to represent the performance of a specific
vessel configuration (mixed, plug flow, laminar, dispersed,
etc.).
SYMBOLS

EQUATIONS

in which mathematical model is expressed

and their relationship to the quantities in real
world
link the symbols and through which the values
of certain variables are computed

Principle: First a mechanism is assumed and then

a model is designed accordingly.

Basic Elements of Reactor Designing

Key Process Variables:

Residence Time Distribution ()

Volume (v)
Temperature (T)
Pressure (P)
Concentrations of chemical species (C1, C2, C3------C4)
Heat transfer coefficients (h, U)

RESIDENCE TIME DISTRIBUTION (RTD)

A description of time that different fluid elements
spend inside the reactor.

TEMPERATURE
affects rates of reaction.
Mass Balance
A mass balance (also called a material balance) is
an accounting of material entering and leaving a
system. Fundamental to the balance is the
conservation of mass principle

IN = OUT + ACC
IN OUT + PROD CONS = ACC
- Integral Mass Balance
- Differential Mass Balance

Integral Mass Balance

made by initially identifying the system boundaries,
that is how the system is connected to the rest of the
world and how the rest of the world influences the
system

Differential Mass Balance

Designed by assuming the interior of the system

REACTOR MODELS
Ideal Batch Reactor
Ideal CSTR
Ideal PFR

Ideal Batch Reactor

It is a closed system. The mass balance for a substance
A becomes:

IN + PROD = OUT + ACC

Where:
rA - the rate at which substance A is produced

V - the volume (which may be constant or not)

nA - the number of moles (n) of substance A.

Ideal Continuously Stirred Tank Reactor (CSTR):

It is an open system.
The mass balance becomes:
IN + PROD = OUT + ACC

Where:
QO - the volumetric flow in of the system

Q - the volumetric flow out of the system

CA,O - the concentration of A in the outflow
CA - the concentration of A in the inflow

Ideal Plug Flow Reactor (PFR)

It is an open system with no mixing along the reactor
but perfect mixing across the reactor.

Where:
Q - Volumetric flow in and out of the system
CA - Concentration of A

THE
END!