Introduction to Reactor Design

Reactor Design – compute, using a suitable mathematical model, the

volume of reaction (translated in geometrical dimensions, eventually) for a
given chemical process taking place under some known constraints
Initial Environmental
Operating
Ideal – the flow id either perfectly mixed or with total displacement

Homogeneous – there is only one phase flowing through the reactor and
taking an active part at the chemical process

Isothermal – the chemical process develops at the same temperature.

The thermal effect is disregarded, as is the heat transfer to/from the
reaction mixture

June 5, 2008 FILS – Chemical Reactors 1

Ideal Homogeneous Isothermal Chemical Reactors
 Introduction to Reactor Design
The main problem of reactor design is how best to include the factors
affecting the chemical process in a mathematical model which has to be
as complicate as needed. Maybe the best approach is “start by trying the
simplest model and then only add complexity to the extent needed”,
b)

Feed
Product
a) Steady-state same
composition at any
Three general types point
c) Product
• the batch Feed

• the steady-state flow Composition at any

Composition
point is unchanged
• the unsteady-state flow (fed- changes with time
with time
batch/semi-continuous reactor) B A B B
Product
d)
A A
Volume and
composition Only volume Only composi-
change changes tion changes

June 5, 2008 FILS – Chemical Reactors 2

Ideal Homogeneous Isothermal Chemical Reactors
 Introduction to Reactor Design
The starting point for all design is the material balance expressed for any
reactant (or product), for unsteady-state conditions around an arbitrary
elementary reaction volume.

Element of  rate of   rate of   rate of reactant   rate of 

y        
x reactor volume  reactant   reactant   loss due to   accumulation 
 flow into    flow out   chemical reaction   of reactant 
Reactant Reactant        
 element   of element   within the element   in element 
(Heat) enters (Heat) leaves  of volume   of volume   of volume   of volume 
       
z
Reactant (Heat)
Reactant (Heat) dissapears by reaction
accumulates within For non-isothermal reactors, energy balances
within the element
the element must be used together with material balances

 rate of heat   rate of heat   rate of disappearance 

       rate of accumulation 
 flow into    flow out of  

of heat by reaction  
  of heat within

 element of   element of   within element of   
       element of volume  
 volume   volume   volume 

June 5, 2008 FILS – Chemical Reactors 3

Ideal Homogeneous Isothermal Chemical Reactors
 Introduction to Reactor Design
Type of
Restrictions Equations
balance

 
 uq   
ρ≠const. t q  x , y , z q
0
Total mass
(continuity) uq
ρ=const. 
q x, y, z q
0

ρ, DAB≠const.
 Aj 
 uq  A j    wA j 
t
  q
 q
  DAB
q


 rA*j
Mass of Aj
q x, y, z q  x, y, z  

species
ρ,DAB=const.
C Aj 
 uq C Aj  D  2C Aj
t
 
q  x, y , z q
AB 
q x, y,z q 2
 rAj

uq uq   2 uq 1 
Moment ρ,η=const. t
 
q  x, y,z
uq
q



q  x, y , z q 2

 q
 g q , q  x, y , z

λ,ρ,cp=const. T
  uq
T   2T 
H RAj rAj 
Heat 
t q  x , y , z q  c p

q  x , y , z q
2

 c p

Balance equations for the fluid element

June 5, 2008 FILS – Chemical Reactors 4

Ideal Homogeneous Isothermal Chemical Reactors
 Introduction to Reactor Design
Type of balance Equation

dmAj
   u S  in wAj ,in    u S  out wAj ,out  N A* j Str  r¶A*j V
Aj molar species {dt 1 4 4 2 4 4 3 1 4 44 2 4 4 43 14 2 43 {
molar flow in molar flow out molar flow exchanged molar flow transformed
mass accumulation by the chemical process
with the surroundings


d m cµp T     u S 
Heat dt 4 3
142
c· p ,in Tin    u S  out c· p ,out Tout  Q
{  H RA j r¶A*j V
1 4 44 2 4 4 43 1 4 4 4 2 4 4 4 3 heat transfer with 1 4 4 2 4 4 3
in  
heat flow in heat flow out reaction generated heat
heat accumulation surroundings

Balance equations for the whole reactor volume

June 5, 2008 FILS – Chemical Reactors 5

Ideal Homogeneous Isothermal Chemical Reactors