Xi Gao 2010

Three-dimensional CFD model of the temperature eld for a pilot-plant tubular loop
polymerization reactor
Xi Gao, De-Pan Shi, Xi-Zhong Chen, Zheng-Hong Luo
Department of Chemical and Biochemical Engineering, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China
a b s t r a c t a r t i c l e i n f o
Article history:
Received 17 April 2010
Received in revised form 20 June 2010
Accepted 27 June 2010
Available online 6 July 2010
Keywords:
Polyolen
Loop reactor
CFD
Temperature eld
A three-dimensional (3D) computational uid dynamics (CFD) model, using an EulerianEulerian two-uid
model which incorporates the kinetic theory of granular ow, the energy balance and heat transfer
equations, was developed to describe the steady-state liquidsolid two-phase ow in a loop propylene
polymerization reactor composing of loop and axial ow pump. The entire temperature eld in the reactor
was calculated by the model. The predicted pressure gradient data were found to agree well with the
classical calculated data. Furthermore, the model was used to investigate the inuences of the circulation
ow velocity, the slurry concentration, the solid particle size and the cool water temperature on the
temperature eld in the reactor. The simulation results showed that the whole loop can be divided into four
sections. In addition, the simulation results also showed that the continuous stirred-tank reactor (CSTR)
assumption is invalid for the entire eld in the loop reactor.
2010 Elsevier B.V. All rights reserved.
1. Introduction
Polypropylene is one of the most widespread polymers, and can be
produced by various technologies including Hypol technology, Unipol
technology, Spheripol technology, etc. [1]. The last one is certainly the
most important at present. The key part of this technology consists of
a loop reactor and a uidized-bed reactor (FBR) [2]. In the loop
reactor, polymerization takes place in a liquid phase and the polymer
matrix is produced as a solid suspension in the liquid stream [35].
Accordingly, the polymerization system is considered a mixture of a
liquid phase (monomer and hydrogen) and a solid phase (polymer
and catalyst), namely a liquidsolid two-phase system. In order to use
the loop reactor more effectively, there is a need to obtain a
fundamental understanding of the liquidsolid two-phase ow
behaviors of such a system, including the temperature eld.
Moreover, the polymerization is a highly exothermic reaction [46],
and it may lead to the appearance of hot spots in the two-phase
system if the heat of polymerization can not be efciently removed
from the reactor [5,6]. These hot spots can inuence the reactor safety
and polymer properties [7,8]. Therefore, it is imperative that good
ow and heat transfer qualities are achieved to ensure a good liquid
solid contact and uniformity of temperature in the loop reactor. For
these reasons, computational uid dynamics (CFD) is becoming more
and more an engineering tool to predict ow and temperature elds
in various types of apparatus on an industrial scale [911].
Furthermore, the CFD is an emerging technique and holds great
potential in providing detailed information of the complex uid
dynamics [1114].
In general, two different categories of CFD models are used: the
Lagrangian and the Eulerian models [1117]. The Lagrangian model
solves equations of motion for each particle taking into account
particleparticle collisions and the forces acting on the particle,
whereas in the EulerianEulerian model, the two phases are both
considered continuous and fully interpenetrating. Up to now,
considerable attention was devoted to the application of CFD to
different reactors [1123]. However, most of past studies were
concentrated on the application of CFD to gassolid uidized-bed
reactors (FBRs) based on the Eulerian model [15,16,18,19,22,23]. Less
attention was paid to the CFD modeling of liquidsolid loop reactor.
Recently, we suggested a three-dimensional (3D) CFDmodel based on
the EulerianEulerian approach to describe the steady-state liquid
solid two-phase ow in the tubular loop propylene polymerization
reactor [24]. The entire oweld in the loop reactor was calculated by
the model. In addition, the effects of the circulation ow velocity and
the sold particle size on the solid holdup in the reactor were also
investigated. Although our previous model can predict the ow eld
described via the solid holdup distribution in the loop reactor, there
were still no any temperature distribution/temperature eld data.
Furthermore, according to our knowledge, so far, there was no open
report regarding the application of CFD to modeling the temperature
eld in the loop propylene polymerization reactor. However, as
described above, obtaining the temperature eld is very important to
use the loop reactor more effectively, especially for the safety
operation of the reactor and polymer properties.
Powder Technology 203 (2010) 574590
Corresponding author. Tel.: +86 592 2187190; fax: +86 592 2187231.
E-mail address: luozh@xmu.edu.cn (Z.-H. Luo).
0032-5910/$ see front matter 2010 Elsevier B.V. All rights reserved.
doi:10.1016/j.powtec.2010.06.025
Contents lists available at ScienceDirect
Powder Technology
j our nal homepage: www. el sevi er. com/ l ocat e/ powt ec
In this work, we develop a 3D CFD model based on the
EulerianEulerian approach to describe the steady-state liquid
solid two-phase ow in the tubular loop propylene polymerization
reactor. The model incorporates the kinetic theory of granular
ow, the energy balance and heat transfer equations. The
suggested model can predict the entire temperature eld in the
loop reactor. Furthermore, the model is used to investigate the
inuences of the circulation ow velocity, the slurry concentra-
tion, the solid particle size and the cool water temperature on the
temperature eld in the reactor.
2. 3D Model for the loop polymerization reactor
The Spheripol technology is one of the most widespread
commercial methods used to produce polypropylene. Commonly, its
key part is constituted of two liquid-phase loop reactors and a gas-
phase FBR. In this work, a pilot-plant polypropylene loop reactor of
the Spheripol technology in a Chinese chemical plant shown in Fig. 1
was selected as our object and the loop reactor selected is the same as
that reported in our previous work [24].
In the present study, to simulate the 3D reactors, a 3D physical
model of the reactor system must be available. Hence, the 3D physical
models and their meshes were both constructed in Gambit 2.3.16
(Ansys Inc., US) rstly.
3. CFD Model
Based on the kinetic theories of granular ow and heat transfer, a
3D EulerianEulerian two-uid model was used to describe the
liquidsolid two-phase ow and temperature elds in the above loop
reactor [25,26].
3.1. EulerianEulerian two-uid equations
The continuity equations for phase n (n=l for the liquid phase and
s for the solid phase) were written as
l
v
l
= 0; 1
s
v
s
= 0: 2
The momentum balance equations for the liquid and solid phases
were written as
l
v
l
v
l
=
l
p +
l
P
P
+ K
sl
v
s
v
l
+
l
l
g
P
P
l
=
l
l
v
l
v
l
T
; 4
s
v
s
v
s
=
s
pp
s
+
s
P
P
+ K
ls
v
l
v
s
+
s
s
g
P
P
s
=
s
s
v
s
v
s
T
+
s
2
3
s
v
s
P
P
I: 6
The energy balance equations for the liquid and solid phases were
written as
l
h
l
v
l
=
P
P
l
: v
l
q
l
+ Q
ls
7
s
h
s
v
s
=
P
P
s
: v
s
q
s
+ S
s
+ Q
sl
: 8
3.2. Kinetic theory of granular ow (KTGF)
From the above momentum balance equations, one knows that
these equations include certain unknown parameters, i.e.,
s
,
s
and
p
s
. In order to solve them, the kinetic theory of granular ow must
be introduced to describe the effective stresses in the solid phase
resulting from particle streaming (kinetic contribution and direct
collisions) collision contribution [16,18,2729].
In addition, according to Refs. [3033], one can know that in
the numerical simulations of two-phase ow reactors, the kinetic
theory of granular ow, treats the colliding particles similarly as
colliding molecules in an ideal liquid/gas. For denser ows, where
particles are in a sustained contact, the effective stresses between
particles become much larger than those predicted by the kinetic
theory of granular ow. Thus, the frictional stress models must be
used in combination with the kinetic theory of granular ow to
describe the much larger stresses associated with enduring
particleparticle contact. In the present work, the concentration
of particles is low in the loop reactor, and the ow of particles is
dominated by particleparticle contact. Constitutive models for
the stresses of particles in the loop reactor can be deduced from
the kinetic theory of granular ow. Therefore, the next constitu-
tive equations for the stresses of particles obtained directly from
the kinetic theory of granular ow, namely Eqs. (9)(19), are
applied.
For the kinetic theory of granular ow, the concept of granular
temperature was rstly used to describe the vibration of the particle
rate coming from the collision interaction. The granular temperature
was dened as follows [25]:
s
=
1
3
0
s
0
s
: 9
Corresponding granular temperature equation in the solid phase
was described via the following equation [26]:
3
2
s
v
s
s
= p
s
P
P
I +
P
P
s
: v
s
+ k
s
+
ls
: 10
There were many similar models for the solid pressure and
bulk viscosity. The selected models in this work were as follows
[28,34]:
P
s
=
s
s
1 + 2g
0
s
1 + e
s
; 11
Fig. 1. Loop reactor and axial ow pump.
575 X. Gao et al. / Powder Technology 203 (2010) 574590
s
=
4
3
2
s
s
d
s
g
0
1 + e
s
_
; 12
g
0
=
1
1
s =
s;max
1
=
3
:
13
The collision dissipation of energy,
s
, was modeled using the
correlation by Lun et al.[28]:
s
=
121e
2
s
g
0
d
s
p
s
2
s
1:5
s
: 14
In addition, a transport equation for the granular temperature was
also needed and shown as follows [35]:
k
s
=
150
s
d
s
s
_
3841 + e
ss
g
0
_
1 +
6
5
s
g
0
1 + e
s
_
2
+ 2
s
2
s
d
s
1 + e
s
g
0
_
:
15
Furthermore, there were a number of similar models for the solid
phase dynamic viscosity. The model chosen in the present work was
as follows [28,36,37]:
s
=
s;col
+
s;kin
+
s;fr
; 16
where,
s;col
=
4
5
s
d
s
g
o
1 + e
s
_
; 17
s;kin
=
10d
s
_
96
s
1 + e
s
g
0
_
1 +
4
5
1 + e
s
s
g
0
_
2
; 18
s;fr
=
p
s
sin
2

I
2D
_ : 19
As described earlier, Eqs. (9)(19) describe the stresses of particles
obtained directly from the kinetic theory of granular ow. However,
from Eqs. (11), (16)(19), one can know that solid frictional viscosity
is considered and solid pressure is depended on the kinetic part. In
practice, Eqs. (9)(19) are applied and validated in many open reports
[3136].
3.3. Drag force model
In the present work, the transfer of forces between the liquid
and solid phases was described by empirical drag laws based on
Gidaspow et al.'s model [36]. Gidaspow et al.'s model incorporates
Wen et al.'s model [38] into the Ergun's equation [39] and was
shown as follows:
at
l
N 0:8; K
sl
=
3
4
C
D
v
s
v
l
d
s
2:65
l
; 20
where
C
D
=
24
l
Re
s
1 +
3
20

l
Re
s

0:687
_ _
; 21
Re
s
=
l
d
s
v
s
v
l
l
; 22
at
l
0:8; K
sl
= 150
s
1
l
l
d
2
s
+
7
4
v
s
v
l
d
s
: 23
3.4. Heat exchange coefcient
The heat transfer rate between different phases was the function of
temperature difference and was described as follows [26]:
Q
sl
= h
sl
T
s
T
l
; 24
h
sl
=
6
l
l
Nu
s
d
2
s
; 25
at Re
s
10
5
,
Nu
s
= 710
f
+ 5
2
f
1 + 0:7Re
0:2
s
Pr
1=3
+ 1:332:4
f
+ 1:2
2
f
Re
0:7
s
Pr
1=3
:
26
3.5. Turbulence model
The standard k- model was used in this study and solved the
transport equations for k and [14,29]. The k- model was written as:
m
k v
m
_
=
_
t;m
k
_
+ G
k;m
m
; 27
m
v
m
_
=
_
t;m
_
+

k
C
1
G
k;m
C
2
m
; 28
where,
m
=
N
i =1
i
; 29
v
m
N
i =1
v
m
N
i =1
i
; 30
t;m
=
m
C
k
2
; 31
G
k;m
=
t;m
_
v
m
+
_
v
m
_
T
_
: v
m
: 32
3.6. Boundary conditions
As described in our previous work [24], the effects of the inlet and
outlet of the loop reactor onthe hydrodynamics were ignored due to the
high-circulation ux in the loop comparing to the inlet/outlet ux. Both
the inlet andoutlet of the reactor were considereda wall. Inaddition, the
continuous phase/liquid was assumed to obey the no slip boundary
condition at the wall. For the solid phase, a partial slip model suggested
by Johnson et al. [40,41] was used and shown as follows:
s
v
s;w
n
=

s
s
g
0
s
_
2

3
p

s;m
v
s;w
; 33
where, is the reection coefcient of the wall, which describes the
interaction between the solid phase and the wall. And, its value is the
range of 01. Among them, 0 describes the action of free slip and 1
describes the action of no slip.
The general boundary conditions for granular temperature at the wall
follow the equation suggested by Johnson et al. [40,41]. In this work,
their equation was also applied as corresponding boundary conditions.
q
s
=
3
p

s
g
0
s
_
6
s;m
_
v
2
s;w
3
2
_
1e
2
w
_
_
; 34
where, q
s
represents the exchange of pseudo-thermal energy between
the particles and the wall.
Onthe other hand, the polymerizationis a highly exothermic reaction,
andthe heat must be removedfromthe loopreactor as soonas possible in
order to keep the temperature in the reactor constant. In practice, there is
a jacket installed on the straight pipe of the reactor. Most of the
polymerization heat can be removed via the cool medium in the jacket.
Therefore, the boundary condition for the straight pipe of the reactor
follows the convection heat transfer equation shown in Eq. (35) [42]:
q =
T
f
T
c
1= h
i
+ b= k + 1= h
o
: 35
For the curve section and the axial ow pump, the boundary
condition follows the adiabatic heat transfer equation shown as
Eq. (36) [42]:
q = 0: 36
During the polymerization in the loop reactor, the growth rate
of the polymer particles is very slow, their growth in diameter is
mainly determined by the residence time of the polymer particles
in the reactor. Accordingly, under the steady-state conditions, the
assumptions of the constant particles in volume corresponding to
a constant volume fraction of the solid phase and the constant
temperature for any particle were used in this work. Therefore,
the heat of polymerization was described by Eq. (37). Here, we
pointed out that the heat value of polymerization equals that of
the convection heat transfer [43].
S
s
= r
P
H; 37
where, r
p
is the polymerization rate and is described by a mechanism
model based on Zacca et al.'s equation [43]. Zacca et al.'s equation is
shown as follows:
r
P
= k
P0
exp
_
E
R273:15 + t
b
_
MC
4
g
cat
: 38
4. Simulations
4.1. CFD modeling strategy
As discussed earlier, the CFD with the EulerianEulerian approach
was used to study the liquidsolid interactions in this work. The
standard k- model was used to take into account the turbulence,
whereas the kinetic theory of granular ow was used to close the
momentum balance equation for the solid phase. The above equations
were solvedby the commercial CFDcode FLUENT 6.3.26 (Ansys Inc., US)
in a double precision mode. The phase coupled SIMPLE algorithm was
used to couple pressure and velocity [24,44], the multiple reference
frame model (MRF) was used to simulate the axial owpump and they
Table 1
Model parameters [945].
Descriptions Values
Thermodynamic and physical parameters
Liquid phase
C
P, l
(KJ/(kmolK)) 61346384.0T+0.628T
2
M
m
(g/mol) 44
l
(kg/m
3
) 417
l
Viscosity (Pas) 5.5410
5
l
(W/(mK)) 0.2960.0006053T+0.125610
7
T
2
Solid Phase
C
P, s
(KJ/(kmolK)) 1022+3.602 T
[c*] (mol/g) 0.025
d
p
(mm) 0.5
g
cat
(g/m
3
) 0.1955
[M] (mol/m
3
) 7.0710
5
cat
(kg/m
3
) 2840
s
(kg/m
3
) 900
s
(W/(mK)) 0.205
Model parameters linking to boundary conditions
b (m) 0.01
h
o
(W/(m
2
K)) 6583.7
K (W/(mK)) 16.27
T
c
(C) 65
Kinetic parameters
E (J/mol) 50.410
3
k
p0
(m
3
/(mols)) 2.6910
3
Table 2
Main parameters used in KTGF [24,45].
e
s
e
w

s

0.9 0.9 0.35 0.0001
Fig. 2. Comparisons of the CFD simulated data with the classical calculated data
according to the empirical equation.
Fig. 3. Temperature distributions in the loop reactor with the axial ow pump rotating
at 400 rad/s.
are associated by using an interface. In addition, a commercial grid-
generation tool, GAMBIT 2.3.16 (Ansys Inc., US) was used to generate
the 3D geometries and their grids. Simple grid sensitivity was carried
out, the least cells needed to conserve the mass of solid phase in the
modeling were studied, and totally, a total of 610,000 cells are needed
for the loop reactor. Furthermore, the simulations were executed in a
Pentium 4 CPU running on 2.83 GHz with 4 GB of RAM.
4.2. Model parameter investigation
The actual data depend on the range of parameter values
presented in Eqs. (1)(38). Most of the parameters are directly linked
to the properties of the liquid and solid phases. Some parameters are
polymerization kinetic and heat transfer parameters, respectively. All
above parameter values used in this work were listed in Table 1. In
addition, many researchers [942] studied the liquidgassolid two-
phase ows, a set of reference values of these parameters could be
selected. In this work, three important parameters including the
restitution coefcient (e
s
), particlewall restitution coefcient (e
w
)
and specularity coefcient () were investigated. We obtained the
same result as that in our previous works [24,45]. Therefore, the same
values of the three important parameters were applied and listed in
Table 2. Unless otherwise noted, the parameters used for the
following simulation were those in Tables 12.
5. Results and discussion
5.1. Model verication
Compared with our previous models [24,45], this model incorpo-
rates energy balance equations and heat transfer equations. These
equations couple with the other equations in this model. Therefore,
Fig. 4. Temperature distributions in the ascending straight pipe section at different circulation ow velocities (a: circulation ow velocity of 400 rad/s; b: circulation ow velocity of
500 rad/s; and c: circulation ow velocity of 600 rad/s).
although our previous model was veried, this model suggested in
this work must be re-veried. Similarly, the slurry pressure gradient
in the loop reactor was selected as the testing parameter. Fig. 2 gives
the comparisons between the data obtained by the classical Newitt
model [46,47] and the CFD simulated data at different circulation ow
velocities. Fig. 2 shows that the simulated pressure gradient data are
in agreement with the classical calculated data.
5.2. Temperature distribution in the entire loop reactor
The temperature distribution reects directly the heat transfer
efciency of the loop reactor. Therefore, it is one of the most
important parameters in the loop reactor and the entire temperature
eld in the reactor was calculated by the above model in this work.
Fig. 3 illustrates the temperate eld in the entire loop reactor at a
certain circulation ow velocity. From Fig. 3, one can nd that there is
a uniform temperature distribution in the ascending straight pipe
section of the reactor. Namely, the assumption of continuous stirred-
tank reactor (CSTR) in the ascending straight pipe section of the loop
reactor is reasonable from a heat transport viewpoint. However, an
obvious asymmetrical temperature distribution can be found in the
upper curve section with the liquidsolid two-phase system owing
into the upper curve section. In practice, there is a high temperature
area in the outside of the upper curve section at the circulation ow
velocity of 400 rad/s as shown in Fig. 3. Due to the united actions of
the difference between the densities of the solid phase and the liquid
phase and centrifugal force, the solid particles in the upper curve
section are forced into the outside of the upper curve section to form
the second ow [48]. It leads to an obvious increase of the solid
Fig. 5. Temperature distributions in the ascending straight pipe section at different slurry concentrations (a:
s
=0.3, circulation ow velocity of 400 rad/s; b:
s
=0.35, circulation
ow velocity of 400 rad/s; and c:
s
=0.4, circulation ow velocity of 400 rad/s).
holdup, which was validated by Huang's experimental work [49].
Huang applied a sound wave measurement to record the ow eld in
a similar loop reactor and found that the slurry concentration in the
outside of the curve section is higher than that in the inside of the
curve section [49]. Furthermore, from Fig. 3, one nds that with the
ow system owing into the descending straight pipe section and
the lower curve section of the reactor continuously, the temperature
eld changes to uniformand its change extent decreases. Based on the
above discussion, as a whole, for the entire ow eld in the loop
reactor, the CSTR assumption is invalid from a heat transport
viewpoint.
According to the above discussionand the physical model of the loop
reactor shown in Fig. 1, one knows that the reactor can be divided into
the ascending straight pipe section, the descendent straight pipe section
and the curve section. The curve section can be also divided into the
upper curve section and the lower curve section. Obviously, there are
different temperature elds in these sections. In order to obtain more
detailed information, the temperature elds in these sections labeled in
Fig. 3 and the inuences of the circulation ow velocity, the slurry
concentration, the solid particle size and the cool water temperature on
them are also simulated.
5.3. Temperature distribution in the ascending straight pipe section
In the ascending straight pipe section, three planes (P-2, P-3
and P-4) were selected and their temperature distributions under
different conditions were simulated in this work.
5.3.1. The effects of the circulation ow velocity on the temperature
distribution in the ascending straight pipe section
In order to simulate the effect of the circulation ow velocity
on the temperature distribution, three different cases were
Fig. 6. Temperature distributions in the ascending straight pipe section at different temperatures of the cool water in the jacket (a: T
c
=336.15 K, circulation owvelocity of 400 rad/
s; b: T
c
=338.15 K, circulation ow velocity of 400 rad/s; and c: T
c
=340.15 K, circulation ow velocity of 400 rad/s).
selected in this work. Namely, the axial ow pump rotating speeds
selected are 400 rad/s, 500 rad/s, and 600 rad/s, respectively.
Fig. 4 illustrates the temperature distributions in the ascending
straight pipe section at three different cases. From Fig. 4, one knows
that an obvious temperature gradient can be found in all planes at a
different circulation ow velocity. For all the cases in the ascending
straight pipe section as described in Fig. 4, the heat of polymerization
is removed via the pipe wall with the owing of the cool water in the
jacket installed on the straight pipe of the reactor, accordingly, the
temperature near the pipe wall is lower than that in the pipe center. In
addition, the temperature in the center decreases due to the
continuous removal of heat with the ow system owing along the
straight pipe at a certain constant velocity. However, with the increase
of the heat of polymerization due to the increase of the slurry
concentration/solid holdup near the wall driven by the centrifugal
force, the temperature near the wall increases with the ow system
owing along the straight pipe at a certain constant velocity.
Furthermore, from Fig. 4, one can also nd that the temperature in
the center increases with the decrease of the circulation ow velocity
in the same plane. In practice, the decrease of the circulation ow
velocity leads to the increase of the polymerization residence time,
accordingly, the heat of polymerization increases and the
corresponding temperature increases.
5.3.2. The effects of the slurry concentration on the temperature
distribution in the ascending straight pipe section
Fig. 5 illustrates the temperature distributions in P-2, P-3 and P-4
at different slurry concentrations. According to Fig. 5, one can nd that
an obvious temperature gradient can be still found in all planes. In
addition, Fig. 5 also shows that at a certain constant slurry
concentration, the temperatures in the center and near the wall
both increase due to the continuous polymerization with the ow
Fig. 7. Temperature distributions in the ascending straight pipe section at different solid particle sizes (a: d=0.110
3
m, circulation owvelocity of 400 rad/s; b: d=0.510
3
m,
circulation ow velocity of 400 rad/s; and c: d=0.910
3
m, circulation ow velocity of 400 rad/s).
system owing along the straight pipe. Furthermore, from Fig. 5, one
nds that the temperature in the center and near the wall both
increase with the increase of the slurry concentration in the same
plane. However, it also must be pointed out that the slurry
concentration can not increase abandonedly. At the slurry concen-
tration of 0.4 corresponding to the slurry concentration of beyond 0.5
in the outside of the curve section, the polymer density of the solid
phase in the loop reactor is saturated, and it can lead to wall stickiness.
5.3.3. The effects of the temperature of the cool water in the jacket on the
temperature distribution in the ascending straight pipe section
at different cool water temperatures in the jacket installed on the
ascending straight pipe. From Fig. 6, one knows that an obvious
temperature gradient can be still found in all planes. In addition, Fig. 6
shows that the temperatures in the center and near the wall both
increase with the increase of the cool water temperature due to the
different cool capabilities at different cool water temperatures and
excellent cool capability at a low cool temperature.
5.3.4. The effects of the solid particle size on the temperature distribution
in the ascending straight pipe section
Fig. 7 shows the temperature distributions in P-2, P-3 and P-4 at
different solid particle diameters. From Fig. 7, one can obtain that
there is an obvious temperature gradient in all sub-gures, which is
similar to those in Figs. 46. In addition, one can also nd that the
temperature in the center increases with the ow system owing
along the ascending straight pipe as shown in these sub-gures of
Fig. 7 at a certain constant solid particle size. In the same plane, Fig. 7
shows that with the increase of the solid particle size, the above
temperature gradient decreases. In practice, the small particles in the
reactor lead to a more uniform mix and excellent heat transfer
Fig. 8. Temperature distributions in the curve section at different circulation ow velocities (a: circulation ow velocity of 400 rad/s; b: circulation ow velocity of 500 rad/s; and c:
circulation ow velocity of 600 rad/s).
efciency. Therefore, the temperature gradient increases with the
decrease of the solid particle size.
5.4. Temperature distribution in the curve section
As described in Section 5.2, the curve section can be divided
into the upper curve and lower curve sections. Meanwhile, from
Section 5.2, one knows that the temperature eld in the lower
curve section is more uniform than that in the upper curve
section. In addition, the temperature eld in the lower curve
section is similar to that in the descending straight pipe section.
The latter would be discussed in Section 5.5. Here, only the
temperature eld in the upper curve section is obtained due to
limited space. In the upper curve section, three planes (P-5, P-6
and P-7) were selected and their temperature distributions under
different conditions were simulated.
distribution in the curve section
Fig. 8 illustrates the temperature distributions in the upper curve
section at different circulation ow velocities. Compared with the
temperature shown in Fig. 4, the temperature in the curve section
shown in Fig. 8 is higher as a whole due to the absence of the jacket
installed on the curve section. Furthermore, the temperature
distribution in the curve section is more uniform and not centrosym-
metric yet.
On the other hand, Fig. 8 shows that with the ow system owing
along the curve section, the temperature gradient decreases and the
high temperature region extends from the centre of the
corresponding plane at a certain constant velocity, which is due to
the discharge of the heat of polymerization and the absence of the cool
jacket. In addition, Fig. 8 also shows that the temperature increases
with the decrease of the circulation ow velocity in the same plane. In
Fig. 9. Temperature distributions in the curve section at different slurry concentrations (a:
s
=0.3, circulation ow velocity of 400 rad/s; b:
s
=0.35, circulation ow velocity of
400 rad/s; and c:
s
practice, as to the point, it is the same as that obtained from Fig. 4.
Namely, the decrease of the circulation ow velocity leads to the
increase of the polymerization residence time, accordingly, the heat of
polymerization increases and the corresponding temperature
increases.
distribution in the curve section
Fig. 9 illustrates the temperature distributions in the upper curve
section (P-5, P-6 and P-7) at different slurry concentrations. As
described in Section 5.4.1, as a whole, the temperature in the curve
section shown in Fig. 9 is higher than that in the ascending straight
pipe section shown in Fig. 5. And its distribution is more uniform and
not centrosymmetric yet. On the other hand, from Fig. 9, one knows
that the temperature increases with the increase of the slurry
concentration in the same plane. The above change is due to the
resulting higher heat of polymerization at a higher slurry concentra-
tion. Certainly, as described in Section 5.4.1, the slurry concentration
can not increase abandonedly in order to avoid the accident of wall
stickiness.
in the curve section
different solid particle diameters. As a whole, one can obtain that the
similar result as obtained in Sections 5.4.1 and 5.4.2 comparing Fig. 10
with Fig. 7. Namely, the temperature in the curve section is higher and
its distribution is more uniform and not centrosymmetric even if at
different solid particle diameters.
On the other hand, Fig. 10 shows that the temperature gradient
decreases and the high temperature region in the same plane extends
from the centre with the ow system owing along the upper curve
section at a certain constant solid particle size. In practice, the above
results are resultedfromthe discharge of the heat of polymerizationand
Fig. 10. Temperature distributions in the curve section at different solid particle sizes (a: d=0.110
3
m, circulation ow velocity of 400 rad/s; b: d=0.510
3
m, circulation ow
velocity of 400 rad/s; and c: d=0.910
3
m, circulation ow velocity of 400 rad/s).
the absence of the jacket of the removing heat on the curve section.
Furthermore, from Fig. 10, one can obtain that the temperature in
the centre decreases with the increase of the solid particle size in
the same plane. It is well known that the centrifugal force acting
on the particle in the curve section increases with the increase of
the particle diameter. Accordingly, the slurry concentration in the
centre decreases and the heat of polymerization decreases with the
increase of the particle size. Therefore, the temperature in the centre
decreases.
5.5. Temperature distribution in the descending straight pipe section
In the descending straight pipe section, three planes (P-7, P-8 and
P-9) were selected and their temperature distributions under
different conditions were simulated in this work. In addition, here,
we pointed out that P-7 was also selected due to its location at the
joint of the upper curve section and the descending straight pipe
section.
distribution in the descending straight pipe section
Fig. 11 shows the temperature distributions in the descending
straight pipe section at different circulation ow velocities. From all
sub-gures in Fig. 11, one knows that the temperature distribution is
not centrosymmetric and the temperature in the outside is higher
than that in the inside. As shown in Fig. 11, at a certain constant
circulation owvelocity, the temperature in the centre decreases with
the ow systemowing along the pipe. In addition, Fig. 11 also shows
that the temperature in the whole pipe decreases with the increase of
the circulation ow velocity. In our viewpoint, the increase of the
circulation ow velocity leads to the decrease of the polymerization
residence time, accordingly, the heat of polymerization decreases and
Fig. 11. Temperature distributions in the descending straight pipe section at different circulation ow velocities (a: circulation ow velocity of 400 rad/s; b: circulation ow velocity
of 500 rad/s; and c: circulation ow velocity of 600 rad/s).
the corresponding temperature decreases for the same plane in the
pipe.
distribution in the descending straight pipe section
Fig. 12 illustrates the temperature distributions in the descend-
ing straight pipe section at different slurry concentrations. At
rst, according to Fig. 12, one can obtain the same result obtained
from Fig. 11. Namely, the temperature distribution is not centro-
symmetric and the temperature in the outside is higher than that
in the inside. In addition, Fig. 12 shows that at a certain constant
slurry concentration, the temperature in the outside increases
with the ow system owing along the straight pipe. Furthermore,
from Fig. 12, one can obtain that the temperature in the outside
increases with the increase of the slurry concentration due to the
high heat of polymerization corresponding to the high slurry
concentration.
5.5.3. The effects of the temperature of the cool water in the jacket on
the temperature distribution in the descending straight pipe section
at different cool water temperatures in the jacket installed on the
ascending straight pipe. From Fig. 12, one knows that an obvious
temperature gradient can be found in all planes. In addition, Fig. 13
shows that the temperature in the pipe increases with the increase of
the cool water temperature as described in Fig. 6.
in the descending straight pipe section
different solid particle diameters. FromFig. 14, one can obtain that the
temperature in the centre decreases with the increase of the solid
particle diameter in the same plane of the descending straight pipe
section. In addition, the above result and its cause is the same as those
described in Sections 5.3.4 and 5.4.3.
Fig. 12. Temperature distributions in the descending straight pipe section at different slurry concentrations (a:
s
=0.3, circulation owvelocity of 400 rad/s; b:
s
=0.35, circulation
ow velocity of 400 rad/s; and c:
s
5.6. The effects of the circulation ow velocity on the temperature
distribution in the lower curve section
In addition, in this work, the effects of the circulation ow
velocity on the temperature distribution in the down curve
section were also simulated and the results were shown in
Fig. 15. P-10 is a plane before the axial ow pump, polypropylene
particles gathered at the side of the loop, the emergence of a high
temperature area makes a uniform temperature distribution. P-11
is a plane at the hub of the ow pump, the area of the high
temperature region becomes signicantly smaller with a more
uniform temperature distribution. As can be seen from Fig. 15,
the temperature distribution of the slurry becomes uniform, axial
ow not only provides the driving force, but also has played a very
good role of mixing, as the axial speed increases, the better the
mixing.
6. Conclusions
In this study, a 3DCFD model was developed to describe the steady-
state liquidsolid two-phase ow in a tubular loop propylene
polymerization reactor. The model incorporated the kinetic theory of
granular ow, the energy balance and heat transfer equations into the
EulerianEulerian approach. The slurry pressure gradient data calculat-
ed according to the classical Newitt model were supplied to verify the
model. In addition, the entire temperature eld in the loop reactor was
obtained via the model. The model was also used to investigate the
inuences of the circulation ow velocity, the slurry concentration, the
solid particle size and the temperature of the cool water in the jacket on
the temperature eld in the reactor. The detailed conclusions include:
(1) The predicted pressure gradient data via the model were found
to agree well with the classical calculated data.
Fig. 13. Temperature distributions in the descending straight pipe section at different temperatures of the cool water in the jacket (a: T
c
=336.15 K, circulation ow velocity of
400 rad/s; b: T
c
=338.15 K, circulation ow velocity of 400 rad/s; and c: T
c
=340.15 K, circulation ow velocity of 400 rad/s).
(2) According to the temperature distributions in the studied
reactor, the whole loop can be divided into four sections;
namely, the ascending straight pipe section, the descending
straight pipe section, the upper curve section and the lower
curve section.
(3) Although a uniform temperature distribution can be found in
the ascending straight pipe section of the reactor, an obvious
asymmetrical temperature distribution can be found in the
upper curve section. Therefore, as a whole, for the entire ow
eld in the loop reactor, the CSTR assumption is invalid from
heat transport.
(4) The temperature in the whole reactor decreases with the
increase of the circulation ow velocity and it increases with
the increase of the slurry concentration. In addition, the
temperature in the centre of the reactor rises with the increase
of the solid particle diameter. Simultaneously, the temperature
in the straight pipe sections increases with the increase of the
cool water temperature.
Further studies on the 3D CFD model for the liquidsolid two-
phase ow in the loop reactor are in progress in our group.
Notation
b wall thickness, m
C
d
drag coefcient, dimensionless
[C
*
] active catalyst site concentration, kmolkg
cat
1
C
P, l
heat capacity of liquid phase, kjkmol
1
K
1
C
P, s
heat capacity of solid phase, kjkmol
1
K
1
d
p
particle diameter, m
D pipe diameters, m
e
s
particleparticle restitution coefcient, dimensionless
e
w
particlewall restitution coefcient, dimensionless
Fig. 14. Temperature distributions in the descending straight pipe section at different solid particle sizes (a: d=0.110
3
m, circulation ow velocity of 400 rad/s; b: d=0.510
3
m,
circulation ow velocity of 400 rad/s; and c: d=0.910
3
m, the circulation ow velocity of 400 rad/s).
E active energy, kjkmol
1
g gravitational acceleration, ms
2
g
cat
catalyst concentration, kgm
3
k
P0
propagation rate, m
3
kmol
1
s
1
h
i
uid side heat transfer at walls, Wm
2
K
1
h
o
cool water side heat transfer at walls, Wm
2
K
1
h specic enthalpy, kjkg
1
h
sl
heat transfer coefcient between liquid phase and solid
phase, Wm
3
K
1
H heat of polymerization, kjkmol
1
I
P
P
identity matrix, dimensionless
I
2D
secondinvariant of thedeviatoric stress tensor, dimensionless
K
ls
interphase exchange coefcient, kgm
2
s
1
[M
b
] monomer concentration, molm
3
Nu
s
Nusselt number of solid phase, dimensionless
p pressure, Pa
p
s
particulate phase pressure, Pa
Pr Prandtl number of liquid phase, dimensionless
q heat ux, Wm
2
q
sl
rate of heat transfer between phases, Wm
3
r
p
rate of polymerization, kmolm
3
R Prandtl constant, dimensionless
R
es
particles Reynolds number, dimensionless
S
s
heat ux of polymerization, Wm
3
T
c
cool water side temperature, K
T
f
uid side temperature, K
T
l
liquid temperature, K
T
s
solid temperature, K
v
l
liquid velocity, m s
1
v
s
solid velocity, ms
1
v
s, w
solid velocity at wall, ms
1
l
volume fraction of liquid phase, dimensionless
Fig. 15. Temperature distributions in the lower curve section at different circulation ow velocities (a: circulation ow velocity of 400 rad/s; b: circulation ow velocity of 500 rad/s;
and c: circulation ow velocity of 600 rad/s).
s
volume fraction of solid phase, dimensionless
s, m
maximum volume fraction of solid phase
specularity factor, dimensionless
l
thermal conductivity of liquid phase, Wm
1
K
1
s
thermal conductivity of solid phase,W m
1
K
1
k thermal conductivity of steel,W m
1
K
1
l
viscosity of liquid phase, Pas
s
solid shear viscosity, Pas
s, col
solid collisional viscosity, Pas
s, kin
solid kinetic viscosity, Pas
s, fr
solid frictional viscosity, Pas
angle of internal friction, deg
s
granular temperature, m
2
s
2
s
collisional dissipation of energy, m
2
s
2
l
P P
shear stress of liquid phase, Nm
2
s
P P
shear stress of solid phase, Nm
2
s
solid bulk viscosity, Pas
cat
catalyst density, kgm
3
l
liquid density, kgm
3
s
solid density, kgm
3
Acknowledgment
The authors thank the National Natural Science Foundation of
China (No. 20406016) and the China National Petroleum Corporation
for supporting this work. The authors also thank the anonymous
referees for comments on this manuscript.
The simulation work are implemented by advanced software tools
(FLUENT 6.3.26 and GAMBIT 2.3.16) provided by the China National
Petroleum Corporation and its subsidiary company.
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Three-dimensional CFD model of the temperature eld for a pilot-plant tubular loop

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