Lecture 6

REACTOR DESIGN
Lecture 6
NON-ISOTHERMAL REACTOR SIZING AND DESIGN

PART ONE
Batch Reactor
Non-Isothermal Operation •
Operate under unsteady state

Neither inflow nor outflow of reactants or products
If the reaction mixture is perfectly mixed so:
•Constant rate of reaction throughout the reactor volume
•Composition ≠ f (Position) ideal restrictions
•Composition =f (time )
•Temperature ≠ f (Position)
•Temperature ≠ f (time)
Mole Balance
F j ,o = F j = 0
V dN j
Fjo +  rj dV − Fj =
dt
V dN j
 rj dV =
dt
...............................1.3
dN j
rjV = ………………………..
dt
Chemical reactors can liberate or absorb very large amounts of energy , and the handling of this
energy is a major concern in reaction engineering. It is important to estimate the temperature
increase or decrease in an adiabatic reactor in which no heat is add or removed, and exothermic
reactor and also the composition of the reaction mixture at any time.
Energy Balance
Heat Heat Addition Heat

Generated and Removal by Accumulated
by Reaction + wall = by Reaction
 dT 
− H r (T )  ( − rAV )  = UA(T − T )
Q a V  C p ,i Ci 
 dt 
T = reaction temperature K
Ta= wall temperature K
TR= reference temperature K
A = heat transfer area m2
Cpi = specific heat KJ/Kmol
U = overall heat transfer KJ/s.m2.K
∆Hr=enthalpy change in the reaction per mole of Reacting
1. Material Balance in Chemical Reactions
In a chemical reaction, we can express the number of moles of each species in the system based on the initial mole
fraction of each species and the conversion X of the main reactant A.
Consider a generic reaction:
aA+bB→cC+dD
The conversion X is defined as the fraction of the initial amount of reactant A that has reacted. It is given by:
• Initial Mole Fraction Θi
The initial mole fraction Θi of species i
is defined as:
Where:
•Ni is the initial number of moles of species i.
•NA0 is the initial number of moles of reactant A.
To find the number of moles of any species iii at a given conversion X, we use the following formula:
Energy and mole balance equations with the rate
law are coupled and then solved
dX
Mole balance equation N Ao = −rAV
dt
H r is calculated as
H r (T ) = H (TR ) + T
T
o
r C p dT
R
The rate law is required as a function of temperature and composition
Variable Volume (Variable Density ,T and/or P)

"Variable T in non-isothermal"
The volume for batch system as a function of conversion as :-
The volume for batch system as a function of conversi
 NT  T  P0  Z 
V = V0 
N 

T 
 P Z 

 T0  0   0 
 T  P0  Z 
V = V0 (1 +  X )
T 
 P Z 

 0   0 
The symbol ε(Epsilon) in this context is known as the "fractional change in volume per mole of conversion" or
sometimes simply the "volume expansion factor".‫عامل التمدد الحجمي أو التغير الحجمي النسبي‬
If the compressibility factor will not change significantly during the course of the
 T  P0 
reaction Zo=Z V = V0 (1 +  X )  
 T0  P 
• This table shows the concentration expressions for different species in a gas-
phase reaction system, taking into account conversion, temperature,
pressure, and volume changes. Let’s break down the terms and variables
used in the equations.
• General Form of the Concentration Expressions
• The concentration Ci of a species i (where i could be A, B, C, D, or an inert I) is
given by the formula:
Each concentration expression can be divided into several parts,

explained below.
1.Ni and Ci0:
1.Ni0: Initial number of moles of species i.
2.Ci0: Initial concentration of species i.
In adiabatic operation of a batch reactor
Energy and mole balance equations with the rate law are
coupled and then solved:
 C p ,i (T − To ) − H r (T ) X
X =
i T = To +
− H r (T )   i C p ,i + CpX
;Where To = initial temperature

• To determine the maximum conversion that can be achieved in an
exothermic reaction carried out adiabatically, we find the intersection of
the equilibrium conversion as a function of temperature , with temperature
–conversion relationships from the energy balance
WAYS TO SPECIFY THE SIZING OF A CSTR
• Continuous – Stirred Tank Reactor CSTR
Although the CSTR is well mixed and the temperature is uniform throughout the reaction
vessel , these conditions do not mean that the reaction is carried out isothermally. Isothermal
operation occurs when the feed temperature is identical to the temperature of the fluid inside
the CSTR.
F Ao , To
Energy Balance in CSTR
FA , T , X
FA , T , X
dT (− H R )(−ri ) − UA(T − Ta )
=
dV  Fi Cpi

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REACTOR DESIGN

NON-ISOTHERMAL REACTOR SIZING AND DESIGN

Operate under unsteady state

Heat Heat Addition Heat

The rate law is required as a function of temperature and composition

Variable Volume (Variable Density ,T and/or P)

Each concentration expression can be divided into several parts,

;Where To = initial temperature

Energy Balance in CSTR

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