CHEMICAL

ENGINEERING
KINETICS/REACTOR
DESIGN
Tony Feric, Kathir Nalluswami, Manesha
Ramanathan, Sejal Vispute, Varun Wadhwa
Presentation Overview

Non-
Reactor Isothermal
Kinetics Design
Design
BASICS OF KINETICS
Definition of Rate

1 , , [mol]
= ( )=( ) =
L [s]
Rate = measure of how fast the
concentration changes

, = 8, 8
Rate of formation of the jth species is
given by the sum of its rates in each
reaction i

Source: Essentials of Chemical Reaction Engineering 4th Ed. by H. Scott Fogler

Rate Law
Rate law is an empirical relationship between rate and
conversion:
A + 2B R + S
= A , C, D, E A CH

k = Rate constant
= Reaction order with respect to A
= Reaction order with respect to B

k is temperature dependent because as the temperature

increases, # of successful collisions increases exponentially
[
Arrhenius Equation: = exp

A = Pre-exponential factor
R = Gas constant (8.314 J/mol.K)
Ea = Activation energy of the reaction
T = Temperature (Kelvin)
Reaction Mechanisms
Elementary reaction: Perfect connection between rate law and stoichiometry
occurring by collisions (molecularity 2)
E
_`a
= ^ ,
,bc

Reaction mechanism is a sequence of elementary steps having its own

activation energy Ea and rate constant k

Correct Orientation
Sufficient Energy

Source: Dr. Raghavan CHBE440, Dept. of CHBE

BASICS OF REACTOR
DESIGN
Isothermal Reactor Mass Balance
Input - Output + Generation = Accumulation

General

Batch

CSTR
(Steady state)

PFR

Source: Dr. Raghavan CHBE440, Dept. of CHBE

 Reactor Design Equations
In terms of Conversion In terms of Concentration
(Constant Density)

Batch

step change in
CSTR concentration to
(Steady state)
exit value

PFR concentration
changes
continuously

Source: Dr. Raghavan CHBE440, Dept. of CHBE

Reactors in Series
For a single reactor, CSTRs
require more volume than a
PFR to reach the same
conversion

CSTRs used in series to

reduce the total volume
required to reach a given
conversion

Source: Dr. Raghavan CHBE440, Dept. of CHBE

Series Reactions:
Comparison of PFR and CSTR
(Rxn: A B C)

In PFR (solid line), higher concentration of product B in all cases compared to

the CSTR (dotted line)

To maximize intermediate concentration, use a moderate residence time

Source: Dr. Raghavan CHBE440, Dept. of CHBE
Parallel Reactions:
Comparison of PFR and CSTR
(Rxn: A B ; A C)
PFR (solid line) and CSTR
(dotted line)

For both products (B and C), PFR

gives greater exit concentration
compared to CSTR

Rate selectivity and overall

selectivity of B is the same in
both reactors

Source: Dr. Raghavan CHBE440, Dept. of CHBE

Design Equations: Multiple
Reactions vs. Single Reaction
D

In each reactor, vj r is replaced by d 8, 8 for multiple reactions

8bc

Source: Dr. Raghavan CHBE440, Dept. of CHBE

NON-ISOTHERMAL
REACTOR DESIGN
Non-Isothermal Reactors
Non-isothermal reactors are advantageous because most reactions are
exothermic heat generated is used to increase rate and conversion

Heat generated/removed does the following:

Changes temperature in reactor
Changes rate constant (Arrhenius Equation)
Changes concentrations of gaseous reactions
Change HR (Hj=Cp,j T)

Source: Dr. Raghavan CHBE440, Dept. of CHBE

Non-Isothermal CSTR
At steady state, heat removed = heat generated.

Assumptions:
Heat accumulation = 0 (steady state)
Exothermic reaction
Heat is removed via coolant

U = overall heat transfer coefficient

Ac = area of heat transfer
Tc = temperature of coolant

Source: Dr. Raghavan CHBE440, Dept. of CHBE

Non-Isothermal PFR
At steady state, heat removed = heat generated.

Assumptions:
Heat accumulation = 0 (steady state)
Exothermic reaction
Heat is removed via coolant

U = overall heat transfer coefficient

Ac = area of heat transfer
Tc = temperature of coolant

Source: Dr. Raghavan CHBE440, Dept. of CHBE

Non-Isothermal PFR (cont.)
Temperature ODE

Where

Concentration ODE
 Non-Isothermal Adiabatic
Adiabatic No heat added or removed in system; set Q = 0.

Adiabatic temperature rise: the

maximum temperature rise

Shows a linear relationship

between temperature and
conversion

Source: Dr. Raghavan CHBE440, Dept. of CHBE

Conclusion: Importance of
Reactor Design

Key to
Distinguishes
controlling a
Chemical chemical plant's
Engineers from safety and
other engineers efficiency
Controls overall
process
economics

Reactor design
is the heart of
any chemical
process
QUESTIONS?