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abstract
Article history:
Received 18 October 2010
Received in revised form
10 May 2011
Accepted 24 May 2011
Available online 1 June 2011
A three-dimensional (3D) computational uid dynamics (CFD) model, using an EulerianEulerian twouid model incorporating the kinetic theory of granular ow, is adopted to describe the steady-state
liquidsolid two-phase ow under conditions employed in a tubular loop propylene polymerization
reactor composed of loop and axial ow pump. The model is validated by comparing its simulation
result with the classical calculated data as well as a set of data collected from certain pilot plant in
China. The entire ow behaviors and the effects of guide vane on them in the reactor are also
investigated numerically. Especially, the whole eld in the loop reactor with the guide vane is obtained
via the above model. The results show that a guide vane weakens the turbulent intensity, reduces the
component of the rotating velocity, and contributes to the uniform distribution of the particles in the
reactor. The second ow phenomenon is successfully predicted in the loop reactor with the guide vane.
& 2011 Elsevier Ltd. All rights reserved.
Keywords:
Chemical reactors
Complex uids
Computation
Multiphase ow
Polyolen loop reactor
Guide vane
1. Introduction
A computational uid dynamics (CFD) model is adopted to
describe the steady-state liquidsolid two-phase ow in tubular
loop propylene polymerization reactors recently (Shi et al.,
2010a,b). The entire ow behaviors described by the solid holdup
distributions in the tubular loop reactors are obtained. It is noted
that the simulated object is a pilot-plant scale polypropylene loop
reactor consisting of loop and axial ow pump with post-guide
vane, and some important two-phase ow behavior parameters,
such as the turbulent energies, the velocity vectors and the uid
trajectories, are not mentioned, although many ow features,
such as the excellent solid mixing, heat and mass transfer properties, can be related to these behavior parameters (Boothroyd,
1971; Akilli et al., 2001; Sheintuch and Nekhamkina, 2004).
Furthermore, the inuence of adding a guide vane installed on
the back of the axial ow pump is also not considered. Adding a
guide vane may decrease the turbulent intensity (Traube, 1967;
Tang and Zhu, 2004), however, a guide vane is an important
energy recovery apparatus, which increases the efciency of
conversion from rotating kinetic energy to axial kinetic energy
(Traube, 1967; Tang and Zhu, 2004). The inuence of adding a
guide vane installed on the back of the axial ow pump especially
needs to be further investigated for proper scale-up and design of
0009-2509/$ - see front matter & 2011 Elsevier Ltd. All rights reserved.
doi:10.1016/j.ces.2011.05.039
reactors (Traube, 1967; Tang and Zhu, 2004; Naqvi et al., 2007;
Kim and Suh, 2008; Kim et al., 2009; Chi et al., 2010).
Refer to Mahecha-Botero et al. (2006, 2008, 2009a, b, c),
Ranade et al. (Khopkar and Ranade, 2006; Gunjal and Ranade,
2007; Utikar and Ranade, 2007; Kulkarni et al., 2008; Kasat et al.,
2008; Rampure et al., 2009) and us (Shi et al., 2010a, b) for a
survey of the papers on ow elds in reactors. There are still few
studies on the ow elds in loop polymerization reactors, especially for the inuence of adding a guide vane on the ow elds in
loop polymerization reactors. Recently, Liu et al. (2007) used a
three-dimensional (3D) EulerianEulerian model to study the
liquidsolid ow in a loop polymerization reactor. They only
simulated part of the loop reactor, ignoring the axial ow pump.
Mohanarangam et al. (2008) reported a numerical investigation
into the physical characteristics of dilute gas-particle ow over a
square-sectioned 901 bend based on a modied Eulerian two-uid
model. The modied EulerianEulerian model was found to yield
good agreement with the measured values. Tian et al. (2008) also
investigated the dilute gassolid two-phase ows in a curved 901
duct bed by the CFD simulation. Their objective was to investigate
the effect of wall roughness on the particle ow properties.
Therefore, besides the gas velocity distributions, the uid trajectories in the bed were also obtained. More recently, our group
(Gao et al., 2010) used an EulerianEulerian model incorporating
the kinetic theory of granular ow, the energy balance and the
heat transfer equations, to describe the steady-state temperature
eld in a loop propylene polymerization reactor. Unfortunately,
the ow behaviors in the loop reactors are not systemically
4128
3. CFD Model
An EulerianEulerian two-uid model that incorporates the
kinetic theory of granular ow is used to describe the liquidsolid
two-phase ow in loop polymerization reactors.
3.1. EulerianEulerian two uid equations
The continuity equations for phase n (n l for the liquid phase,
s for the solid phase) can be written as
rUal rl !
v l 0,
rUas rs !
v s 0:
!
rUal rl v l v l al rp rUtl Ksl !
v s v l al rl g,
T
!
t l al ml r!
v l r v l ,
!
! !
rUas rs !
v s v s as rprps rUts Kls v q v s as rs g,
!
!
t s as ms r!
v s r v s as ls 23ms rU v s I :
ls
r
4 2
Ys
as rs ds g0 1 es
;
3
p
where
g0
Ys
1
1as =as,max 1=3
1 0 0
mm:
3 s s
10
Furthermore, a transport equation for the granular temperature is also needed. The following equation has been proposed by
Ding and Gidspow (1990):
3
2
11
p Ys
44133Z
12 2
16
Z 4Z3as g0
4133ZZas g0 ;
5
15p
12
where
Z 121 es :
13
gYs
121e2s g0
p
rs a2s Y1:5
s ,
ds p
14
fls 3Kls Ys :
16
where
4
ms,col as rs ds go 1 es
5
Ys
17
2
4
1 1 es as g0 ,
5
96as 1 es g0
Ys p
p sin y
ms,fr p
15
ms,kin 10ds rs
4129
18
19
I2D :
!
aS al rl 9!
v s v l 9 2:65
3
CD
al
,
4
ds
20
where
CD
Res
"
0:687 #
24
3
1
al Res
,
20
al Res
21
!
rl ds 9!
v s v l9
,
ml
22
!
as 1al ml 7 as rl 9 v s v l 9
:
4
ds
al d2s
23
vs,w ,
24
@n
2 3as,m
where f is the reection coefcient of wall, which describes the
interaction between the solid phase and the wall. Its value ranges
from 01. Among them, 0 describes the condition of free slip and
1 describes the condition of no slip.
Fig. 2. The applied grid for the whole loop reactor in this work: (a) the radial
section, (b) the elbow containing axial ow pump, (c) the vertical pipe.
4130
4. Simulation conditions
The simulation results dependence on the range of parameter
values are presented in Eqs. (1)(25). Most of the parameters are
directly linked to the properties of the liquid and solid phases. All
above parameter values adopted in this work are listed in Table 1.
In addition, we also point out that three important parameters
including the restitution coefcient (es), particlewall restitution
coefcient (ew) and specularity coefcient (f) were investigated
in our previous works (Shi et al., 2010a, b). Therefore, the same
values of the three parameters are applied and listed in Table 2.
Unless otherwise noted, the parameters used for the following
simulation are those in Tables 1 and 2.
4
R (rad s 1)
as,i
rl (kg m 3)
rs (kg m 3)
ml (pa s)
400
0.35
417
900
5.54 10 5
Where R is the rotating speed of the axial ow pump and as,i is the initial solid
phase volume fraction.
Table 2
Main parameters used in KTGF.
ew
es
as,max
0.9
0.9
0.63
0.0001
Fig. 3. Comparisons of the CFD simulated data with the pilot plant data and the
classical calculated data according to the empirical equation.
Fig. 4. Liquid phase velocity contour of the vertical ascending pipe and elbow
contains axial ow pump.
distribution can be obtained when the uid ows into the vertical
ascending pipe.
5.2.2. The effect of the guide vane on the turbulent energy
Fig. 5 illustrates the effect of the guide vane on the turbulent
energies. As described in Fig. 5, in both reactors, which are with
and without the guide vane, the turbulent energy near the reactor
wall is higher than that in the reactor center as a result of the
higher uctuation of the ow velocity near the wall. In addition, it
is also shown that the turbulent energy near the wall of the loop
reactor without a guide vane is larger than that with a guide vane,
namely, more energy loss occurs in the reactor when without a
guide vane. Accordingly, the simulated results prove that adding a
guide vane can weaken the turbulent intensity and reduce the
energy loss in the loop reactor.
5.2.3. The effect of the guide vane on the velocity vector
The owing motions of the rotating torus in the loop reactors
with and without the guide vane are also simulated via the above
model. The simulated velocity vectors in three typical positions in
the two loop reactors are shown in Fig. 6. From Fig. 6, it is found
that a more straight velocity vector prole can be obtained in the
loop reactor with a guide vane, than that without a guide vane. In
addition, an obvious curving prole can be found in Fig. 6b, which
means that adding the guide vane reduces the component of the
rotating velocity in the reactor. Furthermore, according to Fig. 6b,
with the owing of the uid along the reactor, the component of
the rotating velocity decreases.
5.2.4. The effect of the guide vane on the uid trajectory
The uid trajectories in the two reactors with/without the
guide vane are obtained and shown in Fig. 7. In practice, Fig. 7
describes the uid path lines behind the axial ow pump in the
steady state simulation. According to Fig. 7, in the loop reactor
without a guide vane the uid system comprising of the liquid
and solid phases ows with obvious rotating motions. However,
the uid system ows along obvious line paths in the loop reactor
with a guide vane, which is shown in Fig. 7a. As to the rotating
4131
Fig. 6. Velocity vector of vertical ascending pipe. ((a) With post-guide vane. (b)
Without post-guide vane; top, middle, bottom: top, middle, bottom of the vertical
pipe after the pump).
Fig. 7. Fluid path lines. ((a) With post-guide vane. (b) Without post-guide vane).
Fig. 5. Turbulent energy contour of vertical ascending pipe. (a: With post-guide vane; b: Without post-guide vane; top, middle, bottom: top, middle, bottom of the vertical
pipe after the pump).
4132
5.2.5. The effect of the guide vane on the solid holdup distribution
The above agglomeration phenomenon can be proved via
describing the solid holdup distribution in the loop reactor.
Fig. 8 illustrates the solid holdup distributions in the vertical
ascending pipes of the two reactors with and without a guide
vane. From Fig. 8, one knows that there is an obvious particle
congregating phenomenon near the wall of the reactor without a
guide vane. Such a phenomenon leads to a low solid holdup in the
center and a high solid holdup near the wall of the loop reactor
yet. In addition, as shown in Fig. 8a, the solid holdup distribution
in the loop reactor with a guide vane is more uniform when
compared with that in Fig. 8b. In addition, Fig. 8a also shows that
due to the action of the centrifugal force there is still a small
particle congregating phenomenon in the top of the vertical
ascending pipe of the loop reactor with a guide vane.
Fig. 8. Particle volume fraction contour of vertical ascending pipe. ((a) With postguide vane. (b) Without post-guide vane).
5.3. The whole ow eld in the loop reactor with the guide vane
According to the investigation in Section 5.2, adding a guide
vane weakens the turbulent intensity and reduces the component
of the rotating velocity. In addition, as described earlier, the guide
vane is an important energy recovery apparatus and can increase
the efciency of conversion from rotating kinetic energy to axial
kinetic energy (Traube, 1967; Tang and Zhu, 2004). In practice,
the loop reactor with a guide vane is widely applied in the
polymerization industry. In order to further understand the
inuence of a guide vane, the whole ow eld in the loop reactor
with a guide vane is described.
5.3.1. The velocity distribution of the liquid phase in the whole loop
The velocity of the liquid phase is one of the most important
parameters in the loop reactors. In the above simulation, only the
velocity distributions of the liquid phase in certain positions of the
loop reactor are simulated. Here, the velocity distribution in the
whole loop reactor is obtained. From Fig. 9, the velocity distribution
within the loop with a guide vane is uniform as a whole. In addition,
an obvious high velocity area is found at the inner side of bends,
which is shown in Fig. 9a. With the uid owing along the loop, the
velocity distribution develops toward uniform. Specically, the velocity distribution of the liquid phase in the down bend/elbow situated
the bottom of the loop is described and shown in Fig. 9b. According to
Fig. 9b, one observes that there is an obvious velocity gradient within
the bend. It means that the second ow appears in the loop
(Mohanarangam et al., 2008; Tian et al., 2008). In Section 5.3.2, the
second ow phenomenon is described in detail. In addition, some
simulated positions in this loop/bend are also described in Fig. 9.
5.3.2. The second ow in the loop
The velocity distribution of the liquid phase in the left bottom
bend shown in Fig. 9b is rstly simulated. Fig. 10 describes the
velocity distribution of the liquid phase in the down bend. From
Fig. 10, the velocity proles of the liquid phase are uniform before it
ows into the elbow (s/D 0.5) after the development in the
vertical descending pipe. But when the uid ows into the elbow
(y 01), the velocity at the inner side of elbow accelerates; however,
it will slow down at the outer side. Therefore, a high velocity region
is formed next to the inner wall. Along the elbow (y 01-301), this
Fig. 9. Liquid phase velocity contour of the whole tubular loop reactor. ((a) Whole tubular loop reactor. (b) Left bottom elbow).
4133
4134
phase are almost the same, and there is no velocity slip between the
two phases. At the initial interface of the vertical ascending pipe,
shown at Fig. 12a, the velocity in the inner side of the tubular loop is
higher than that in the outer side. In the middle of the vertical pipe, as
shown at Fig. 12b, the velocities are fully developed. When it comes
to the end of the vertical ascending pipe, the velocity at the inner side
of the tubular loop is higher than that at the outer side again.
Fig. 13 shows the velocity distributions of the liquid and solid
phases in the top horizontal pipe. From Fig. 13d, at the beginning
of the horizontal pipe, there is some velocity slip between the
liquid phase and solid phase in the outer side of the tubular loop,
and the solid phase velocity is higher than the liquid-phase
velocity, which is because the solid phase suffers a larger
centrifugal force compared with the liquid phase. From Fig. 13e,
the velocities in the middle of the top horizontal pipe are not
completely developed. And to be the same as the vertical
ascending pipe, from Fig. 13f, the velocities at the inner side of
the tubular loop are higher than that at in the outer side.
Fig. 14 shows the velocity distributions of the liquid and solid
phases in vertical descending pipe. Similar to the top horizontal
pipe, from Fig. 14g, it is found that in the initial interface of the
vertical descending pipe, there is some velocity slips between the
liquid phase and solid phase in the outer side of the tubular loop,
and the solid phase velocity is higher than the liquid-phase velocity.
Along the pipe, the slurry velocity begins to develop gradually into
fully developed, but there is a low velocity region in the center of the
pipe. The same results can be observed in the above two pipes, the
velocities in the inner side of the tubular loop are higher than those
at the outer side in the end of the vertical descending pipe.
Fig. 12. Liquid and solid phase velocity distribution of the vertical ascending pipe. (r/R 1: the inside of tubular loop reactor, r/R 1: the outside of tubular loop reactor).
4135
Fig. 13. Liquid and solid phase velocity distribution of the top horizontal pipe. (r/R 1: the inside of tubular loop reactor, r/R 1: the outside of tubular loop reactor).
Fig. 14. Liquid and solid phase velocity distribution of the vertical descending pipe. (r/R1: the inside of tubular loop reactor, rr/R 1: the outside of tubular loop reactor).
4136
6. Conclusions
In this study, a 3D CFD model is adopted to describe the steadystate liquidsolid two-phase ow under conditions employed in a
tubular loop propylene polymerization reactor. The model is validated
by comparing the simulation result with the classical calculated data
as well as the data collected from certain pilot plant in China. The
predicted pressure drop data are found to be in good agreement with
both of them. The entire ow behaviors and the effects of a guide
vane on them in the reactor are also investigated numerically.
The simulation results show that adding a guide vane weakens
the turbulent intensity, reduces the component of the rotating
velocity in the reactors, and contributes to the uniform distribution of the particles in the reactor. In addition, the second ow
phenomenon can be successfully simulated in the reactor with a
guide vane. Furthermore, the simulated results show that there is
a high velocity area within the bend of the loop reactor with the
guide vane due to the effect of centrifugal force.
Notation
Cd
dp
D
es
ew
g
I
I2D
Kls
p
ps
R
Res
vl
vs
vs,w
al
as
as,m
f
ml
ms
ms,col
ms,kin
ms,fr
y
Ys
gYs
tl
ts
ls
rl
rs
drag coefcient
particle diameter (m)
pipe diameters (m)
particleparticle restitution coefcient
particlewall restitution coefcient
gravitational acceleration (m s 2)
identity matrix
second invariant of the deviatoric stress tensor
interphase exchange coefcient (kg m2 s 1)
pressure (Pa)
particulate phase pressure (Pa)
rotating velocity of loop reactor (rad s 1)
particles Reynolds number
liquid velocity (m s 1)
solid velocity, (m s 1)
solid velocity at wall, (m s 1)
volume fraction of liquid phase
volume fraction of solid phase
maximum volume fraction of solid phase
specularity factor
viscosity of liquid phase (Pa s)
solid shear viscosity (Pa s)
solid collisional viscosity (Pa s)
solid kinetic viscosity (Pa s)
solid frictional viscosity (Pa s)
angle of internal friction (deg.)
granular temperature (m2 s 2)
collisional dissipation of energy (m2 s 2)
shear stress of liquid phase (N m 2)
shear stress of solid phase (N m 2)
solid bulk viscosity (Pa s)
liquid density (kg m 3)
solid density (kg m 3)
Acknowledgments
The authors thank National Natural Science Foundation of
China (No. 21076171) and China National Petroleum Corporation
for supporting this work. We would also like to thank Dr. Fox
R.O. and Dr. Ram G.R. (Department of Chemical & Biological
Engineering, Iowa State University) for their valuable discussion
in 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 China
National Petroleum Corporation and its subsidiary company.
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