Iv-5 - Continuous Chemical Reactors

Continuous Flow Reactors
A continuous reactor has a stream of fluid flowing through.
Plug flow
Flow Ideal
Perfect mixing
Steady-state means that there is no accumulation of any property,
whatsoever.
Homogeneous means that there is a single phase flowing through the

reactor.
June 5, 2008 FILS – Chemical Reactors 1

The Discontinuous/Batch Reactor
Steady-state Plug Flow Reactor
C A0, XA = 0 FMA FMA + dFMA C Af , XAf
Dv0, F MA0 XA XA + dXA Dvf , FMAf
In a plug flow reactor the composition of the fluid varies from point to
point along a flow path (there is a gradient of property – the system is with
distributed parameters); consequently, the material balance for a reaction
component must be made for a differential element of volume dV
0
6 44 7 4 48
input
{  output  disappearance by reaction  accumulation
123 1 4 4 4 42 4 4 4 43
 moles   moles   moles   moles A reacting   volume of 
A,    FMA A,    FMA  dFMA A,   rA dV   
 time      
  time   volume of fluid 
 time   time  fluid 


Single reaction chemical processes
Rewriting in mathematical symbols:
FMA   FMA  dFMA   rA dV

dFMA  d  FMA0  1  X A     FMA0 dX A
FMA0 dX A  rA dV
V X Af

X Af
dV dX A V dX A
0 FMA0  
0
rA  X A 

FMA0 C A0
  rA  X A 
0

Differential form
dX A rA  X A  rA  X A 
 
dV FMA0 FV 0 C A0
equivalent
dz
dφ
Integral form

X Af
V dX A

FMA0 C A0
 
0
rA  X A  C A0, XA = 0 FMA FMA + dFMA C Af , X Af
Dv0, F MA0 XA X A + dX A Dvf , FMAf

Constant volume Variable volume – better way
X Af
V0 dX A A
FV 0
  D  C A0 
0
rA  X A  dX A

FMA0
d
rA   
 
Residence time = Space-time dV F FMA0
m
dz
u
{
S
Variable volume
rA   m 
X Af
V dX A dm
FV 0
 t  C A0 
0
rA  X A ,   dz

 A  u

Mean residence time m 
Fm
The volume of reaction
The performance of
the plug-flow reactor
The characteristic equations
X Af
V0 dX A
FV 0
  D  C A0 
0
rA  X A 
The operating
The volumic flow conditions
Residence time = Inlet concentration of

Space-time the limiting reactant

Multiple reactions chemical processes
d  m ,i ri   m 
 , i   1, 2,K , R
dz  u
Vector of reactions’ mass extents
i
 m ,i 
Fm
Mass extent Local fluid velocity
of reaction “i”
Average density

Constant volume
PFR’s characteristic equations DCR’s characteristic equations
X Af X Af
V0 dX A dX A
FV 0
  D  C A0 
0
rA  X A 
t  C A0 
0
rA  X A 
Formally, for the constant volume case, the equations are the same,
so the integrated form of the DCR could be used directly for the PFR
Variable volume
PFR’s characteristic equations DC’s characteristic equations
X Af
V dX A
X Af
dX A
FV 0
 t  C A0 
0
rA  X A ,  
t  C A0   1   X A  rA  X A ,  
0

Solving the characteristic equations for the variable volume case

X *Af
V0 D dX A X Af*  conservative value

FMA0 C A0
 
0
rA  X A ,  
Solving the characteristic equations for the variable volume case means
using the characteristic equation associated with the constant volume case
but computing the reaction rate with the real concentrations, corresponding
to the ever changing volume.
This way, a conservative value of the performance could be estimated.

Irreversible and Reversible

chemical processes
for variable volume case

Single reaction chemical processes – variable volume
Irreversible first order chemical processes A    products

k
XA t
1 X A dX A
rA  k C A  k C A0  1 X A
 k  dt
1   X A 0 0
1   X A
 1 
1 
kt  ln    XA
 1 X A 


k
k = 0.05 k=0.075
0.8 0.8
0.6 0.6
XA
XA
0.4 0.4
0.2 0.2
eps = 0 eps = 0
eps > 0 eps > 0
eps < 0 eps < 0
0 0
0 5 10 15 20 25 0 5 10 15 20 25
time, s time, s

Reversible first order chemical processes   k d   p P

A
kr
 1 X A 1 M PA  pX A 
rA  kd C A  kr CP  k C A0   
 1   X A K C 1   X A 
XA
 1   X A  dX A  k  1  p   dt t
0 M PA 
 K C 

1 0
KC
 XA
p
1
KC
14 2 43
X Ae
 1 X Ae  
 p   X Ae 
k  1  t  ln    XA
 K C  X
 Ae  X A 

MPA = 0, k = 0.05 MPA = 0.5, k = 0.05
0.8 0.8
Reversible first order

chemical processes 0.6 0.6
  k d   p P
A
XA
XA
0.4 0.4
kr
0.2 0.2
eps = 0 eps = 0
eps > 0 eps > 0
eps < 0 eps < 0
0 0
0 5 10 15 20 25 0 5 10 15 20 25
time, s time, s
MPA = 0, k = 0.075 MPA = 0.5, k = 0.075

0.8 0.8
0.6 0.6
XA
XA
0.4 0.4
0.2 0.2
eps = 0 eps = 0
eps > 0 eps > 0
eps < 0 eps < 0
0 0
0 5 10 15 20 25 0 5 10 15 20 25
time, s time, s

A B    products
k
Irreversible second order chemical processes

2A  k
  products
rA  k C A CB  k C 2  1  X A   M BA  X A 
 1   X A 
A0 2
 1   X A  dX A
XA 2 t
0  1  X A   M BA  X A   k C A0  dt
0
2  1 
XA  1 
C A0 k   2 X A     1
2
 ln  
1 X A  1  X A 

CA0 = 0.5, k = 0.05 CA0 = 0.5, k = 0.075
Irreversible second order

0.5 0.5
chemical processes 0.4 0.4
A  B  k  products 0.3 0.3
XA
XA
2A    products
k 0.2 0.2
0.1 eps = 0 0.1 eps = 0

eps > 0 eps > 0
eps < 0 eps < 0
0 0
0 5 10 15 20 25 0 5 10 15 20 25
time, s time, s
CA0 = 1.5, k = 0.05 CA0 = 1.5, k = 0.075

0.8 0.8
0.6 0.6
XA
XA
0.4 0.4
0.2 0.2
eps = 0 eps = 0
eps > 0 eps > 0
eps < 0 eps < 0
0 0
0 5 10 15 20 25 0 5 10 15 20 25
time, s time, s

Second-order Reversible Reactions   k d   R  S

A B
kr
rA  kd C ACB  kd CR CS C A 0  C B 0 & CR 0  CR 0  0
M RA M SA  M RA  M SA 
1  M BA  
rA  kd C 2 KC
 X 2

 1  M BA  M RA  M SA  X A  KC

1  X A 
A0 A
2
 1 1 
 1 1 
 KC KC 
The integral form of the characteristic equation
 1   X A  dX A
XA 2
 M M 
kd C A0  1  RA SA t 
 KC  0  X A  p   X A  q 
 1 p  2  1 q   2
 M M   p   q 
kd C A0  1  RA SA  p  q  t   2 X A  q  p   ln    ln  
 K C   p  X A   q  X A 

CA0 = 0.5, k = 0.05, MBA = 2, MRA = MSA = 0 CA0 = 0.5, k = 0.075, MBA = 2, MRA = MSA = 0
Reversible second order 0.6 0.6
chemical processes
  k d   R  S
0.4 0.4
A B
XA
XA
kr
0.2 0.2
eps = 0 eps = 0
eps > 0 eps > 0
eps < 0 eps < 0
0 0
0 2 4 6 8 10 12 14 16 0 2 4 6 8 10 12 14 16
time, s time, s
CA0 = 0.5, k = 0.05, MBA = 2, MRA = MSA = 0.5 CA0 = 0.5, k = 0.075, MBA = 2, MRA = MSA = 0.5
0.6 0.6
0.4 0.4
XA
XA
0.2 0.2
eps = 0 eps = 0
eps > 0 eps > 0
eps < 0 eps < 0
0 0
0 2 4 6 8 10 12 14 16 0 2 4 6 8 10 12 14 16
time, s time, s

Space-time, Space-velocity and Mean Residence Time
Space-time A space-time of 2 min means that

 time required to process one  every two minutes one reactor
1 
 D    reactor volume of feed measured     time  volume of feed at specified
s   conditions is being treated by the
 at specified conditions  reactor
Space-velocity
 number of reactor volumes of  A space-velocity of 5 hr-1 means
1  
s   feed at specified conditions which    time1  that five reactor volumes of feed at
D   specified conditions are being fed
 can be treated in unit time  into the reactor per hour
Mean Residence Time

t   t E  t  dt
0

Space-time, Space-velocity and Mean Residence Time
It may be more convenient to measure the volumic feed rate at some

standard state, especially when the reactor is to operate at a number of
temperatures.
If, for example, the material is gaseous when fed to the reactor at high
temperature but is liquid at the standard state, care must be taken to
specify precisely what standard state has been chosen.
The relation between the space-velocity and space-time for actual entering
conditions and at standard conditions is
1 C Astd0 V C Astd0 1 C Astd0

 std
D  std  D 
s FMA0 C A0 s C A0

Space-time vs. Mean Residence Time (Holding Time)
Suppose 1 liter/sec of gaseous reactant A enters a plug flow reactor.
V 1 liter
D    1 sec
FV 0 1 liter/sec
However, since the gas reacts progressively as it passes through the plug
flow reactor, it expands correspondingly-not immediately on entering, and
not all at one time as it leaves.
 1 
tD   ,1  sec
 2 
The precise value of the holding time is determined by the particular
kinetics of the system.

Space-time vs. Mean Residence Time (Holding Time)
Suppose 1 liter/sec of liquid reactant A enters a plug flow reactor.
V 1 liter
D    1 sec
FV 0 1 liter/sec
For the liquid-phase system, the expansion would be negligible, one liter
would leave for each liter entering; thus, the holding time and space-time
would be identical.
tD   D
Holding time does not appear anywhere in the performance equations,

while it is seen that space-time do naturally appear. Hence, space-time is
the proper performance measure for PFR.
Steady-state Perfectly Mixed Reactor
C A0, XA = 0
Dv0, FMA0
C A , XA
V, XA , CA , rA Dvf , FMAf
A perfectly mixed flow reactor is characterized by the absence of property

gradients; it is known as a concentrated parameter system.
The characteristic equation is find through a mass balance made around
the reactor as a whole.
0
6 44 7 4 48
input  output  disappearance by reaction  accumulation
Rewriting in mathematical symbols:

FMA0  FMA  rA V
FMA  FMA0  1  X A 
FMA0 X A  rA V
V X A XA V C A0V C A0 X A
   
FMA0 rA  X A  rA  X A  FV 0 FMA0 rA  X A 
The characteristic equation relates in a simple way the four terms XA, rA, V,
FMA0; thus, knowing any three allows the fourth to be found directly.
V XA

FMA0 rA  X A 
The driving force responsible for the
accomplishment of the chemical
process is at its minimum.
Conditions within
reactor and at exit
1
rA
Area=V/FMA0
0
XA
More generally, if the feed on which conversion is based enters the reactor
partially converted (subscript 0) and leaves at the exit conditions (subscript f),
the characteristic equation reads:
V X A X A f  X A0 V  0
  V  V0  1   X Af 
FMA0 rA  X Af  rA  X Af 
V  0
V0 R X A f  X A0 V0 C A0 X Af
  R  
FV 0 C A0 rA  X Af  FV 0  1   X Af  rA  X Af ,  
V0 C A0 X Af C A0  C Af
R   
FV 0 rA  X Af  rA  C Af 
Multiple reactions chemical processes
ri   m 
 m ,i  , i   1, 2,K , R

Vector of reactions’ mass extents
i
 m ,i 
Fm
Mass extent
of reaction “i”
Mean density

Solving the
characteristic equations


k
Constant volume case Variable volume case

rA  k C A  k C A0  1  X A  rA  k C A  k C A0 
1 X A
1   X A
R 

C A0  X A f  X A0  R 
C A0 X Af
1  X Af
k C A0  1  X Af   1   X  k C
Af A0 
1   X Af
k  R k  R
XAf  XAf 
1  k  R 1  k  R
Important Conclusion!! The volume behavior does not affect the performance

k
Reversible first order chemical processes A kd
p P
r
Constant volume case Variable volume case

 M PA 
1
 1   KC 
rA  kd C A0  1   1
 XA  Homework !
 KC   1 
 KC 
 
·X
R  Af
 1 
k  1 
 KC 
·
 1  X Af  
·X k *  R

1  k *  R
Af

Irreversible nth order chemical processes A  k  products

Constant volume case Variable volume case n
rA  k C  k C  1  X A   1  X Af 
n n n
A A0
rA  k C  k C 
n n

A  1   X Af
A0 
 
R 

C A0  X A f  X A0 
 1  X Af  X Af  1   X Af 
n 1 n 1 n 1
k C A0
k C n 1
 R 
1 X 
A0 n
Af
XAf
k C n 1
 R 
 1 X 
A0 n 1
Af
Nonlinear equations

Iv-5 - Continuous Chemical Reactors

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Iv-5 - Continuous Chemical Reactors

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Continuous Flow Reactors

A continuous reactor has a stream of fluid flowing through.

Homogeneous means that there is a single phase flowing through the

June 5, 2008 FILS – Chemical Reactors 1

Dv0, F MA0 XA XA + dXA Dvf , FMAf

June 5, 2008 FILS – Chemical Reactors 2

Rewriting in mathematical symbols:

FMA   FMA  dFMA   rA dV

June 5, 2008 FILS – Chemical Reactors 3

June 5, 2008 FILS – Chemical Reactors 4

Residence time = Inlet concentration of

June 5, 2008 FILS – Chemical Reactors 6

June 5, 2008 FILS – Chemical Reactors 7

June 5, 2008 FILS – Chemical Reactors 8

Solving the characteristic equations for the variable volume case

June 5, 2008 FILS – Chemical Reactors 9

Irreversible and Reversible

June 5, 2008 FILS – Chemical Reactors 10

Irreversible first order chemical processes A    products

June 5, 2008 FILS – Chemical Reactors 11

Irreversible first order chemical processes A    products

June 5, 2008 FILS – Chemical Reactors 12

Reversible first order chemical processes   k d   p P

June 5, 2008 FILS – Chemical Reactors 13

Reversible first order

MPA = 0, k = 0.075 MPA = 0.5, k = 0.075

June 5, 2008 FILS – Chemical Reactors 14

Irreversible second order chemical processes

June 5, 2008 FILS – Chemical Reactors 15

Irreversible second order

chemical processes 0.4 0.4

A  B  k  products 0.3 0.3

0.1 eps = 0 0.1 eps = 0

CA0 = 1.5, k = 0.05 CA0 = 1.5, k = 0.075

June 5, 2008 FILS – Chemical Reactors 16

Second-order Reversible Reactions   k d   R  S

June 5, 2008 FILS – Chemical Reactors 17

Reversible second order 0.6 0.6

June 5, 2008 FILS – Chemical Reactors 18

Space-time A space-time of 2 min means that

June 5, 2008 FILS – Chemical Reactors 19

It may be more convenient to measure the volumic feed rate at some

1 C Astd0 V C Astd0 1 C Astd0

June 5, 2008 FILS – Chemical Reactors 20

Suppose 1 liter/sec of gaseous reactant A enters a plug flow reactor.

June 5, 2008 FILS – Chemical Reactors 21

Suppose 1 liter/sec of liquid reactant A enters a plug flow reactor.

Holding time does not appear anywhere in the performance equations,

A perfectly mixed flow reactor is characterized by the absence of property

Rewriting in mathematical symbols:

June 5, 2008 FILS – Chemical Reactors 27

June 5, 2008 FILS – Chemical Reactors 28

Irreversible first order chemical processes A    products

Constant volume case Variable volume case

June 5, 2008 FILS – Chemical Reactors 29

Constant volume case Variable volume case

June 5, 2008 FILS – Chemical Reactors 30

Irreversible nth order chemical processes A  k  products

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