CHEMICAL REACTOR DESIGN

Plug Flow Reactor (PFR)

HDA Process

The purpose of this section is to design equipment which will be held the reactions
involved in appropriate conditions.
In this process, toluene streams, hydrogen and methane entering the system at a
temperature of 975 K. These come from the oven where the temperature has risen
and the pressure maintained in working conditions. When leaving the reaction system,
enters a heat exchanger to lower its temperature, provides the energy needed to
evaporate the toluene and heat the hydrogen feed stream system.
This chapter is intended to explain the basis of design and provide a descriptive
overview of what happens in the main plant equipment. The Annex XX shows the
calculations for detailed design.
The main feature is that the main reaction is exothermic and releases heat, such that
the temperature in the reactor would increase so that the temperature values to be
avoided for prevent the formation of coke.
This is achieved by cooling the system to maintain constant temperature. Removing
the heat produced in the reaction will be maintained isothermal reactor. To accomplish
this purpose a multitubular reactor, which is designed as a shell and tube type
exchanger AET, allowing better control of the temperature is chosen.
The reactives flow on the inside of the tubes, where they will react in its trajectory and
on the outside, a water mass of high pressure condensation temperature.
After applying the equation for plug flow reactors (PFR) (developed in Annex XX) the
final volume is 10.00 m3.
The result of this volume, it is also conditioned by the choice of working temperature.
As the temperature increases, the reaction volume decreases. Within the temperature
range in which you can play, finally chose the reaction take place at 958.15 K. This is
reflected in the figure below, wherein a decrease of 25 C in the reaction temperature,
would increase twice the reactor volume 20 m.

Reactor Volume versus Temperature (x = 0.75)

80
70
60
50
40

Volume (m3)

V (m^3)

30
20
10
0
880

900

920

940

960

980

1000

Temperature (K)
Figure XX.

Reactor volume versus temperature

The importance of the study of these joined the study of parallel reactions conditions,
is in determining the overall selectivity of toluene to benzene.
The production of this is improved using the concept of selectivity either to accelerate
its rate of reaction or suppress the rates of formation of undesired products. This value
determines the optimum operating conditions for the desired products.
Selectivity is defined as the ratio between the moles of benzene produced in the
reactor and the moles of toluene converted; the following expression is cited to find the
selectivity.
s=1

0.0036
( 1x )1.544

[1]

Selectivity is related to conversion (x) of the reaction. As shown in the figure below,
with increasing the conversion, the selectivity declines slightly to values close to 80%.

Selectivity versus Conversion Rate

0.000

0.200

Logarithmic (S)

0.400

0.600

0.800

1.000

1.200

Conversion Rate
Figure XX.

Selectivity versus Conversion Rate

Therefore, the conversion is to be fixed in 75%, in order to obtain a sufficiently high

selectivity (96.94%).
For the HDA process to take place must have a number of restrictions:

The reactor temperature can not exceed 985 K (712 C)

The reactor effluent must be quenched.
The ratio of hydrogen/toluene must be 5:1.

These restrictions are to avoid a possible coking. The reaction can be carried out at a
temperature of 893.15 K to 985.15 K and a pressure of 34 to 38 bar.
Given these limitations and explained with respect to the reaction volume, the decision
is taken to study the reaction, and thus its design, at a temperature of 958.15 K and a
pressure of 37 bar.
The reaction kinetics that takes place is conveniently described in terms of the limiting
reagent to the reaction:
0.5

r Tol=k [ C Tol ] . [ C Hid ]

r Ben=5.987 x 10

[2]

255616
(
)
.e T . C 2

Ben

2.553 x 1 0

255616
(
)
. e T .C

Where,
r Tol

( mol
L.s )

= Reaction rate of toluene

. CH

[3]

0.5

(( )

mol
. s1
L
mol
CTol
L
mol
C Hid
L
mol
r Ben
L.s
mol
C Ben
L
mol
CD
L
mol
CH
L
k

(
(
(
(
(
(

)
)
)
)
)
)

= Kinetic constant of toluene

= Concentration of toluene
= Concentration of hydrogen
= Reaction rate of benzene
= Concentration of benzene
= Concentration of diphenyl
= Concentration of Hydrogen

Only the reaction (2) is taken into account, since it is exothermic and preponderant
with respect to the reaction (3).

(
k =6.3E10e

52000

Cal
mol

R .T

[4]

Where,
0.5

(( )

mol
. s1
L
Cal
R
mol . K
T (K)
k

= Kinetic constant of toluene

= Ideal gas constant (1.987)
= Temperature

The overall reaction order is 1.5. It can considers that the term [C Hid]0.5 is constant, as it
is in excess. Thus, one can consider the following expression:
k ' =k [ C Hid ]

0.5

r Tol=k ' [ C Tol ]

[5]
[2.1]

To calculate the volume of the reactor, design equation is performed is the model
equation piston flow (developed in Annex XX).
V=

Qln[1xTol ]
k'

[6]

As toluene, hydrogen and methane entering 958.15 K, a current is needed to keep

this temperature constant. The stream is condensed water is chosen high pressure. It
flows in countercurrent with a flow rate of 504.10 kmol / h perfectly serves to remove
heat from the highly exothermic reaction. Water enters 522.75 K changed their status
to steam at 523.45 K. The heat is finally exchanged 4.18x10 7 J / s.
Design of the constituent elements of the reactors
Tubes
The tubes are constructed of stainless steel AISI TP347L, with an outside diameter of
1.25 inches (0.0318 m). The tube length is 40 feet (12.192 m) and the thickness is
0.165 in (0.00419 m), that is, 8 BWG. This has been determined under the formula of
ASME B31.3 (2004).
The tubes have a rotated triangular (60) arrangement, justified by the high amount of
heat exchange and mass flow through them. In one step by tubes and a pitch of 1 9/16
in (0.0397 m) and depending on the outer diameter of the tubes, the reactor containing
a total of 1881 tubes.

Shell
As the outer diameter of the tubes, the number of tubes, the pitch and the
arrangement of the tubes, the outer diameter of the tube bundle is determined and
with it, is finally determined the inner diameter of the casing, taking a value of 98 in.
The number of steps per shell is one. The shell is constructed of carbon steel SA-285.

Baffles
The shell should be provided with ten baffles that guide the movement of fluid in the
direction perpendicular to the axis of the tubes. Are of the type segmented and are
circular almost the same diameter as the shell and which will have a simple horizontal
or vertical cutting.
These baffles are mounted within the shell so that the cuts in consecutive plates are
rotated 180. Obviously these sheets must be perforated to allow them to pass the
tubes. The spacing between them of 52.75 in (1.314 m).

Figure XX.

Types of baffles. Single segmental baffles

Figure XX.

Rod baffles

Figure XX.

Baffle cut

Figure XX.

Baffle cut orientation

Stationary head
This element receives fluid to circulate inside the tubes with the purpose to collect it
and distribute it. A head type A is chosen, this is removable channel and cover.

Figure XX.

Removable channel and cover

Rear head
The other head is responsible for returning the fluid circulating inside the tubes to
send it out of the reactor, due that the equipment only consists of a single passage
through the tube side. The Pull-Through Floating Head is chosen, ease of
maintenance, inspection and repair.

Figure XX.

Pull-through floating head

Pitch
Pitch is not more than the distance between the centers of the tubes. To Pitch
selection has chosen to use the standard value. Then is fixed to an outer diameter of
1.25 in (0.0318 m) and tube arrangement triangular rotated 60 with a value of 1 9/16
in (0.0397 m).

Figure XX.

Rotated triangular (60 )

Shell type
The envelope of the reactor is of type E, being the single-pass shell side.

Figure XX.

One-pass shell

Table XX.

Reactor design specifications

Type of reactor
According TEMA

Stationary Head Types

Shell Types
Rear Head Types

Position
Volume (m^3)
Material
Outside Diameter, O.D. (m)
Internal Diameter, I.D. (m)
Thickness
Thickness (m)
Long (m)
Layout patterns
Pitch
Number of tubes
Number of tube passes
Heat-transfer area (m^2)
Material
Internal Diameter, I.D. (m)
Thickness (m)
Number of passes
Types of baffles
Number of baffles
Baffle spacing
Thickness (m)
Baffle Diameter
Type
Thickness (m)
*BWG = Birmingham Wire Gage

Plug flow reactor

A (Removable Channel and Cover)
E (One-Pass Shell)
T (Pull-Through Floating Head)
Horizontal
10

Tubes
Type TP347L Stainless Steel
0.0318
0.0234
8 BWG*
0.00419
L = 12.192
Rotated Triangular (60)
0.0397
1881
1
1177.99
Shell
Carbon steel
D = 1.97
F = 0.08
1
Baffles
Single segmental baffles
10
A = 1.314
E = 0.0191
1.963
Isolation
Rockwool
0.08

AET

Table XX.

Process parameters
Reaction
Main Reaction
Side Reaction

C7 H 8 + H 2 C 6 H 6 +CH 4
2C 6 H 6 C12 H 10+ H 2

Conversion rate
Selectivity
Temperature (K)
Pression (bar)
Entalphy Main Reaction (J/s)
Shell and Tube side
Parameter
Shellside
Fluid
Water
Flow rate (kg/h)
9083.81
Inlet temperature (K)
522.75
Outlet temperature (K)
523.45
Average temperature (K)
523.1
Density* (kg/m^3)
407.815
Viscosity* (Pa.s)
6.32E-05
Heat Capacity*, Cp (J/kg.K)
4376.21
Conductivity*, k (W/m.K)
0.332
Operation pressure, P (bar)
39
Reaction

Heat-transfer coefficient, h (W/m^2 K)

*Average temperature

4054.782

75.00%
96.94%
958.15
958.15
-4.18E+07
Tubeside
Gas mixture
10290.43
958.15
958.15
958.15
7.194
2.50E-05
4019.421
0.236
37
117.723

REFERENCES

1. Luyben, William L., et al. (1999). Plantwide process control. McGraw-Hill.

2. Moyano, Mara del Pilar. (2012). Diseo de un reactor qumico para la sntesis de
benceno [Design of a chemical reactor for the synthesis of benzene]. Espaa:
Universidad de Cdiz. Faculty of Sciencies.
3. Mukherjee, R. (1998). Effectively design shell and tube heat exchangers. The Heat
and Mass Transfer Dept. of Engineers India Ltd., New Delhi.

ANNEX

Annex XX. Volume of the reactor

dn A
=F A( F A +d F A )+R AdV
dt
With,
dn A
=
dt
FTol
=
dFTol =
FTol,e =
dFTol =
CTol,s =
CTol
=

0
FTol,e FTol,e*XTol
- FTol,e*dXTol
Q*CTol,e
-Q* CTol,e* dXTol
CTol,e CTol,e*XTol
CTol,s

r ToldV =d F Tol
k 'CToldV =F Tol , ed X Tol
k '(C Tol , e CTol , eX Tol )dV =QCTol , ed X Tol
k '(1X Tol )dV =Qd X Tol
d X Tol
k'
dV =
Q
(1 X Tol)
X Tol

V
d X Tol
k'
dV =
Q 0
0 (1X Tol )

With,
U
d

1X Tol
dX Tol

=
=

U
V

X Tol

k'
dU
dV =
Q 0
U
0

k'
V =ln (1X Tol)
Q

V=

Qln[1xTol ]
k'

Annex XX. Concentration of hydrogen

PV =nRT
P=

n
RT =CRT
V

C=

P
RT

PH =x H PTot
2

CH =
2

x H PTot
RT1000
2

k ' =k [ C H

0.5