Chemical Engineering Journal 174 (2011) 341350

Contents lists available at ScienceDirect

Chemical Engineering Journal

journal homepage: www.elsevier.com/locate/cej

CPFD simulation of a fast uidized bed steam coal gasier feeding section
Alireza Abbasi a,b , Paul E. Ege b , Hugo I. de Lasa a,
a
Department of Chemical and Biochemical Engineering, University of Western Ontario, London, ON, Canada N6A 5B9
b
Reactech Process Development Inc., Markham, ON, Canada

a r t i c l e i n f o a b s t r a c t

Article history: Coal gasication in uidized beds is a process that can be strongly inuenced by gassolid suspension
Received 20 February 2011 ow patterns. Fast uidized beds can be designed to maximize coal gasication yields providing an
Received in revised form 2 June 2011 optimum syngas composition with minimum operational upsets. In order to accomplish this, a com-
Accepted 8 July 2011
prehensive model for steam coal gasication is valuable. With this end, a 2D CPFD (computational
particle uid dynamics) dynamic model is considered in the present study. The proposed model uses
Keywords:
a LagrangianEulerian approach and describes the ow patterns in the gasier feeding section, as well as
Coal gasication
the local particle velocities, particle solid fractions and gas composition. As a reference and for compari-
Fluidized beds
Computational particle uid dynamics
son, an ideal PFR (plug ow reactor) model is also considered. It is found that compositions from the 2D
Suspension chocking CPFD model provide close gas compositions with respect to the PFR. It is observed that the 2D CPFD model
is valuable for predicting particle ows in the feeding near region keeping it unaffected by fast uidized
bed upsets such as suspension chocking. It is also found that the 2D CPFD model is particularly useful for
describing fast uidized beds operation involving signicant amounts of rich ash recycled feeds.
2011 Published by Elsevier B.V.

1. Introduction of the combined reactor hydrodynamics and kinetics [69]. To

Fluidized beds have an important role in many industrial
processes including petrochemical, pharmaceutical, and mineral
industries. A most valuable area of potential applications for u-
idized beds is in coal combustion and coal gasication for power
generation, chemical production, and synthesis gas. Fast uid
beds also known as transport line reactors. These reactors have
attracted the attention of researchers since the 1970s [13]. Fast
uidized bed coal gasiers have the potential of processing large
coal particle ow in compact units of low diameter/length ratios.
Traditionally, two two-phase models have been proposed to
describe the performance of dense uidized bed reactors [4]. The
two-phase model includes a dilute phase and a dense emulsion [5].
Each phase has separate governing equations plus a term in each
equation describing mass interchange between the two phases
[4].
These models while being suitable for dense phase uidized
beds require signicant changes and adaptations when dealing
with fast uidized beds. In fast uidized beds the existence of
phases has to be accounted in a very different manner with
interpenetrating gas and particulate phases. In this respect, CFD
(computational uid dynamics) and CPFD (computational parti-
cle uid dynamics) modeling provide valuable tools for simulation
Corresponding author. Tel.: +1 519 661 2144; fax: +1 519 661 3498.
E-mail address: hdelasa@eng.uwo.ca (H.I. de Lasa).
address these simulation issues two approaches have been applied:
the EulerianLagrangian approach and the EulerianEulerian
approach. In the rst approach, the uid phase is treated as a contin-
uum by solving the time-averaged NavierStokes equations, while
the dispersed phase is accounted for by tracking a large number
of particles through the calculated ow eld. The dispersed parti-
cle phase can exchange momentum, mass, and energy with the gas
phase. In the dispersed particle phase, each particle is affected in
its trajectory by three-dimensional forces [10].
In the EulerianEulerian approach, the different phases are
treated mathematically as interpenetrating continua. Since the vol-
ume of a phase cannot be occupied by the other phases and as a
result the concept of phasic volume fraction is introduced. These
volume fractions are assumed to be continuous functions of space
and time and their sum is equal to one. Conservation equations for
each phase are then derived obtaining a set of equations, which
have similar structure for all phases. These equations are closed by
providing constitutive relations that are obtained from empirical
information or, in the case of article by application of kinetic the-
ory [11]. The EulerianEulerian approach has wide application in
multiphase ow. It has however, important limitations such as not
being able to account for particle size distribution and/or the shear
stress for the particles.
Given the above and the required simulation features of
accounting for particle size distribution at various stages of the
fast coal gasication process, we select for the present study, an
EulerianLagrangian approach. This model captures the needed

1385-8947/$ see front matter 2011 Published by Elsevier B.V.

doi:10.1016/j.cej.2011.07.085
342 A. Abbasi et al. / Chemical Engineering Journal 174 (2011) 341350

description of particleuid interactions, particleparticle interac- The trajectory calculation of the discrete phase is made by inte-
tions and coal and unconverted coal particle size distribution. Each grating the force balance on the particles. The particle motion as a
phase in this model has its own set of carefully selected governing result is dened as follows:
hydrodynamic equations. d P p
The CPFD and other simplied models simulations of the present (vp ) = Dp (vf vp ) +g (5)
dt p p p
study show that product yields are not too affected by uid bed
hydrodynamics. Moreover, it is also proven that fast uid bed where vp is the particle velocity, p is the particle density,  p is the
operation requires good predictions of the choking of the parti- particle volume fraction, and  p is the particle normal stress. Dp is
cle suspension and it is in this area where the CPFD simulation the interphase drag coefcient dened as follows:
 
3 f vf vp 
becomes very essential. The proposed uid dynamic approach of
this study is most appropriate for fast uidized beds being consis- Dp = Cd (6)
tent with the earlier works [1,3,12]. This model also contains special 8 p (3Vp /4)1/3
description (conditions/closure equations) for fast uidized beds Cd represents the drag coefcients and depends on the Reynolds
being very essential to accomplish ow regime diagram, particle number.
size distribution, and component concentration proles.
24
Re < 1000Cd = (1 + 0.15Re0.687 )f2.65 ,
Re
2. The CPFD mathematical model Re 1000Cd = 0.442.65 (7)
f

Using the EulerianLagrangian approach, the uid phase is

described as a continuum by solving the NavierStokes equations,
whereas the dispersed phase is treated by tracking a large number
of particles through the calculated ow eld. The dispersed phase
is coupled with the continuum phase able to exchange momen-
tum, mass and energy. In the computational particle uid dynamics
(CPFD) scheme each particle has three-dimensional forces exerted
on them such as uid drag, gravity, staticdynamic friction, particle
collision and other forces. Using this method, the collision force on
each particle is modeled as a spatial gradient [13]. However, the
direct element method (DEM) considers particle-to-particle inter-
actions using a springdamper model and direct particle contact.
While using the CPFD method a numerical particle is accounted for
via an ensemble of particles displaying the same properties such
as chemical composition, size, and density. In contrary to the DEM
method, the dispersed phase in CPFD method is not limited and
can vary from a low to a large solid volume fraction. In CPFD, the
numerical particle numerical approximation is established within
a numerical control volume (domain) where the properties of the
uid are considered constant. The motion of uid and dispersed
phases are governed by respective mass and momentum conserva-
tion equations. The volume averaged uid mass, momentum and
energy equations are dened as follows [14]:
 
2f vf vp   3Vp 1/3
Re = (8)
f 4
where f is the gas viscosity and Vp is the particle volume. The
proposed drag coefcient has been shown to have a good agree-
ment with experimental results, indicating that the cluster-based
drag coefcient model is suitable to describe various statuses in
fast-uidized beds [15].
Particle-to-particle collisions are modeled by the particle nor-
mal stress,  p . The particle normal stress model used here is from
[13]:
Ps P
p = (9)
max[cp p , (1 p )]
where Ps is a positive constant that has units of the pressure,  cp
is the particle volume fraction at close packing limit. The constant
is recommended to be in between 2 5[16]. The constant
is a small number on the order of 107 . Thus, the particle stress
dened by Eq. (9) depends only on the concentration of particles
and neglects the size and velocity of particles. The proposed particle
normal stress model has been used successfully with a dependency
on each solids velocity vector. The model applies the particle nor-
mal stress to a solid up to the point where the solid reaches the

(f f ) + (f f vf ) = Sf (1) particle-mean velocity [9].

t

3. Simplied fast uidized bed models

(f f vf ) + (f f vf vf ) = P +  + f f g F (2)
t
A continuous multiphase chemical reactor is a vessel where
chemical reactions take place. The ow patterns in such a reac-
(f f E) + [(f E + P)f vf ] = .q + Q (3)
t tor unit are rather complex and require the use of a computational
uid dynamics approach as the one described in Section. However,
where  f is the uid volume fraction, vf is the uid velocity, f is a PFR (plug ow reactor) model offer the opportunity for the simu-
the uid density, Sf is the uid source term, P is the uid pressure, lation of fast uidized bed reactors as shown in the early studies of
 is the uid stress tensor, and g is the gravitational acceleration. F de Lasa and Gau [2]. A material balance on the differential volume
represents the momentum exchange rate per volume between the of a uid element on species i in a PFR can be expressed as follows
uid and particle phase. q is the energy transfer due to conduction, [5]:

species diffusion and viscous dissipation. Q is the energy source d  vi,j Rj
term and the energy E is dened as follows: (Fi,x ) = A (10)
dx
r,j
  j
P vf vf
E= H + (4) where Fix is the molar ow rate of species i at position x. vi,j and
f 2
Rj are the stoichiometric coefcient and the reaction rate for step j.
vr,j is the stoichiometric coefcient used as the basis for the Rj and
where H is the enthalpy for ideal gases, and is written as a summa-
 A is the reactor cross-section.
tion of the mass fractions weighted species enthalpy. H = Yi Hi The mathematical solution of this relatively simple model
i involves a set of ordinary differential equations that can usually be
 A. Abbasi et al. / Chemical Engineering Journal 174 (2011) 341350 343

Table 1
Reactions considered in the coal gasication model.

Reaction name Chemical reaction Reaction rate (mol/m3 s) 106

 E
 s s Xsl PH PCO
Steam gasication [17,18] C + H2 O CO + H2 R1 = k1 exp RT1g 12
(PH2 O PH ), PH = 2
2O 2O exp(17.2916326/Tg )

E

 s s Xsl
P2
CO2 gasication [17,18] C + CO2 2CO R2 = k2 exp RT2g (PCO2 PCO ), PCO = CO

 
12 2 2 exp(20.9220282/Tg )
 X
Methanation [17,18] 1
2
C + H2 1
2
CH4 R3 = exp 7.087 8078 s s sl
Tg 12
(PH2 PH )
 0.5
2

PCH
PH = 4
exp(13.43+10999/Tg )
2
 E

Carbon combustion [19] 2C + O2 2CO R4 = k4 s exp RT4g PO2
 E5
0.5
 E
0.5
Water gas-shift [20] CO + H2 O CO2 + H2 R5 = k5 exp RTg [CO] [H2 O] k6 exp RT6g [H2 ] [CO2 ]

solved in a quite straightforward manner even for complex reaction
kinetics. The numerical solutions of Eq. (10) or a set of equations
such as Eq. (10) offers the opportunity of a simulation that repre-
sents the limiting (ideal) behaviour for a fast uidized bed unit.
4. Reaction kinetics
Description of chemical changes in a coal gasier normally
requires the consideration of a complex reaction network. One pos-
sible approach is to assume that the pyrolytic process of the raw
coal conversion is complete at conditions very close to the gasier
entry.
Coal Char + Volatile + H2 O + Ash (12)
with the sum of the mass fraction of products is calculated to be
unity in the raw coal [21].
YChar + YVolatile + YH2 O + YAsh = 1 (13)
Thus, char is formed from coal particles and the continue equa-
tion of solid phase can ensure the mass balance of char. Following
this, the unconverted coal or xed carbon fraction of the coal, des-
ignated as char, reacts with steam via the reactions reported in
Tables 1 and 2. Main reactions considered in this network and tak-
ing place after pyrolysis or contributing in Eq. (12) are: (a) steam
gasication, (b) CO2 gasication, (c) methanation, (d) carbon com- tion [5] involving the following:
Tref
bustion and (e) water gas-shift reaction. It is assumed that all
reactions except the water gas-shift are heterogeneous reactions
taking place throughout the entire volume of the char particles.
Methanation is considered as well to be a slow reaction [17].
Tables 1 and 2 report various suggested reaction rates for these
reactions as well as their equilibrium constants. Regarding equi-
the gas phase. This approximation is considered adequate for the
small particles of the present study given the difference, between
gas temperature and solid temperature is negligible [17].
Due to the potential variability of the volatiles composition,
there is no standard stoichiometric for the steam gasication of
volatiles. In the present work, a so called non-stoichiometric
approach is used where the volatile matter with an elemental
formula Cx Hy Oz reacts with steam as follows:
Volatile + H2 O 1 CH4 + 2 H2 + 3 CO + 4 CO2 (14)
where , 1 , 2 , 3 , 4 coefcients are adjusted to comply with
the hydrogen, oxygen and carbon elemental balances and chemical
equilibrium for water gas shift and methane steam reforming as
proposed by Salaices et al. [22].
It is further assumed in the proposed model that the sulfur
content in the coal is small and therefore H2 S is not affecting sig-
nicantly either the product composition or the enthalpy balance
in the gasier.
5. Enthalpy balances
The enthalpy balance is a key and complementary assessment
for the simulation of the gasier operation. A valuable approach to
perform enthalpy balances is the use of Vant Hoff box approxima-

H1 = Fi,x Cp,i dT (16)
Tin
i

H2 = Hri Ri V (17)
i

librium constants for these set of reactions, they are in all cases 
Tr

very close to the recent values suggested by Salaices et al. [22]. H3 = Fi,x Cp,i dT (18)
Tref
Concerning kinetic rate parameters for these equations, the con- i
stants reported in Table 2 and selected for the calculations are with
the ones recommended for sub-bituminous coal steam gasication
[17,23]. Regarding the Arrhenius expression for the various gasi- H1 + H2 + H3 = Q (19)
cation reactions, this expression is based on the temperature in
where H1 , H3 specify the enthalpy changes for species coming
and leaving the control volume, V. H2 is the total heat of reaction
Table 2 in the control volume.
Coal gasication kinetics constants.
One should notice that in Eq. (18) all reactants and products
Kinetics constants Values species are considered as molecular species at Tref , which is the
k1 (1/atm s) 930
reference temperature for the heat of reaction (usually 25 C).
E1 (cal/mol) 45,000 Moreover an overall gasication stochiometry can established with
k2 (1/atm s) 930 the overall extent of gasication as follows:
E2 (cal/mol) 45,000
k4 (1/atm s) 1.79 106 Coal + H2 O 1 CH4 + 2 H2 + 3 CO + 4 CO2 (20)
E4 (cal/mol) 27,000
k5 (1/atm s) 7.68 1013 where 1 , 2 , 3 , 4 and coefcients are dened at each position
E5 (cal/mol) 304.6 of the gasier.
k6 (1/atm s) 6.4 1012 Finally and on this basis, the overall heat of reaction can calcu-
E6 (cal/mol) 326.4
lated with the enthalpy of formation of all species involved in Eq.
344 A. Abbasi et al. / Chemical Engineering Journal 174 (2011) 341350
Table 3
The input parameters for the simulation.
Computation particle per cell, Np
Time step, t
Particlewall normal retention coefcient, en
Particlewall tangential retention coefcient, et
Diffuse bounce, Df
Dimensionless constant of the solid-phase stress model, 3
Dimensionless constant of the solid-phase stress model,
Pressure constant of the solid-phase stress model, Ps
Solid volume fraction at closest packing,  cp
Gravitational acceleration, g
Particle feed per average volume, Nf
Particle/uid slip ratio,
Maximum volume iterations, Iv
Volume residual, rv
Maximum pressure iterations, IP
Pressure residual, rP
Maximum velocity iterations, Iu
Velocity residual, ru
Maximum momentum redirection from collision,
40% Regarding the proposed simulation of the feeding gasier sec-
Total number of clouds, Nc
(20). Thus, given Eq. (19) and assuming that the gasier is properly
insulated and heat losses from the gasier can be neglected (Q = 0)
the temperature at every axial position can be calculated using Eq.
(19).
6. System set-up and simulation parameters
The coal gasication model was established in a computational
domain of 15 cm 120 cm 1 cm (Fig. 1). A grid of 18 120 1 is
used to mesh the domain. The input parameters for the simula-
tion are reported in Table 3. This adopted dimensioning with a
total height of 1.20 m represents a possible feeding section con-
guration for a uidizer entrained gasier. It is in this section of
the gasier where one could notice the early signs of suspension
choking.
One can observe in Fig. 1 that the feeding section of the gasi-
er to be modeled is congured with three zones as follows: (a)
Fig. 1. (a) The schematic representation of the entrained uidized bed gasier. (b) Selected conguration for the simulation of the entrained uidized bed gasier in the near
feeding section.
Zone 1: an 18 cm air and steam mixing section where air and steam
are concurrently contacted at 1250 K and distributed uniformely
3 across the radius of the gasier section, (b) Zone 2: a 25 cm recycled
54 s char feeding section where recycled particles with high ash content
0.1
designated simply in the upcoming manuscript sections as ash
0.99
0
rich are fed, mixed and contacted with the raising steam and air,
(c) Zone 3: a 73 cm coalchar feeding section where coal is fed and
108 coal particles are gasied.
1 Pa This conguration which is selected as the basis of the sim-
0.6
ulation of the present study is a modied version of gasier
9.8
20,000 arrangement reported in [24] and recommended by the Cen-
1 tral Research Institute the Electrical Power Industry (CRIEPI). This
1 entrained uidized bed with an expected total height of 57 m and
106
an anticipated feeding section of 1.2 m height operates in a recircu-
2000
108
lating mode. Under this type of operation a cyclone separates the
50 unconverted char (ash rich particles) from the gas and a down pipe
107 returning them to the bottom of the gasier [23,24].
231,052
tion there are a number of model assumptions: (a) air and steam are
distributed uniformly at the bottom of the reactor, (b) the ash rich
particles provide a good fraction of the heat required for coal gasi-
cation, (c) coal is fed to the reactor from a side port, (d) the bed is
initially formed of a 97% N2 and 3% char (volume fraction) suspen-
sion, (e) N2 is used to simulate the carrier gas assisting the feeding
the ash rich and coal particles, (f) solid particles are assumed to
remain unchanged in size with this assumption considered reason-
able given the properties of sub-bituminous coals [25], (g) the coal
particles are hypothesized to remain with the same density given
the relatively low coal conversion expected in the gasier feeding
section.
The operating conditions and stream fed to the gasier unit used
in this simulation are reported in Table 4. The particle sizes were
chosen based on the coal dust particle size survey of underground
mines on Pittsburgh [26]. Converted char and ash size distribution
particles are reported in Table 5.
Large eddy turbulence model was used in the simulation given
this is an expected uid dynamic pattern in fast uidized beds. As
 A. Abbasi et al. / Chemical Engineering Journal 174 (2011) 341350 345

Table 4
Operating conditions and stream fed to the Gasier unit.

Inlet Mass fraction Temperature, K Pressure, MPa

Air + H2 O = 2.5 g/s 0.180 O2 , 0.550 N2 , 0.270 H2 O 1250 1.1

C + Ash + N2 = 100 g/sDesignated as Rich ash particle ow 0.005 C, 0.993 Ash, 0. 002 N2 Case 1 = 1150, Case 2 = 1350 1.1
Coal + N2 = 2.1 g/s 0.377 C, 0.311 volatile, 0.229 H2 O, 0.051 ash, 0.031 N2 298 1.1
Volatile 0.550 CH4 , 0.156 H2 , 0.220 CO, 0.073 CO2

well a quasi-second order upwind scheme was applied for convec-

tion terms. This scheme gives an accurate nite difference stencil
for the approximation of spatial derivative.
The process with all described assumptions was simulated with
the BARRACUDA-CPFD package for char recycle ow at 1150 K
and 1350 K. The selected temperatures are to maintain the tem-
perature prole recommended gasier arrangement given the
reference [24]. Each simulation was then run over 10 s to achieve
pseudo-steady state. No major changes were observed in efuent
conditions after 3 s.
Furthermore to compare the CPFD simulation with a simplied
approach, the same feeding reactor section dimensions were con-
sidered in PFR (plug ow reactor) model. This PFR model with the
same coal and steam feed was simulated in Matlab software. The
kinetics described via equations provided in Table 1 and assum-
ing the carbon combustion reaction forming CO, R4 , is completed
in the bottom reactor section. As well as the gasier, the plug ow
is separated in three zones: (a) the air and steam mixing section,
(b) the recycled ash rich particles feeding section, (c) the coal feed-
ing section. The selected incoming 1150 K and 1350 K temperatures
were considered for the recycled ash rich section on the basis of
expected desirable operating range conditions for coal gasier units
as reported by Watanabe and Otaka [24].

7. Results and discussion

The main objectives of present study was to investigate the

effect of various operational parameters in the uid dynamics of Fig. 2. The contour of particle volume fraction and particle size distribution at 10 s
simulation. Operating conditions: (a) 100 g/s ash rich particle recycle ow at 1150 K,
the near gasier feeding section using the CPFD model and to com-
(b) 2.1 g/s coal feed at T = 298 K, (c) 2.5 g/s air/steam ow (1.648 molar ratio) at
pare product compositions predictions from both the CPFD and PFR T = 1250 K. Total feeding pressure: 1.1 MPa.
models.
Fig. 2 reports the contour of particle volume fraction and particle
as well as the uid velocity display local variations conned to
size distribution at 10 s for recycles ow temperature of 1150 K or
the bottom of the gasier feeding section. This local densication
Condition 1. Condition 1 was specically selected for the numerical
of the bed provides of early signs of choking. Furthermore tem-
calculation given it is at the bottom of the column feeding sec-
perature contours in Fig. 3a show in most cases relatively small
tion where the supercial gas velocity supersede several times the
particle terminal velocity or Gs /Gg ratio of the solid uxes is 27.06
and choking of the suspension may be promoted [27]. Observed
numerical results show that the solid distribution and ow, while
relatively uniformly throughout the unit start, display local varia-
tions with some densication in the bottom feeding of the reactor.
Fig. 3 displays uid temperature, dp/dz and uid velocity con-
tours for Condition 1. One can see again that the dp/dz contours

Table 5
Rich ash and carbon particles size distribution.

Cum percentage Radius (m)

0 6.00E06
3 1.20E05
6 1.70E05
9 2.00E05
20 2.50E05
45 3.50E05
65 4.50E05
75 4.70E05
Fig. 3. The contour of uid temperature, pressure drop and uid velocity at 10 s sim-
85 5.00E05
ulation. Operating conditions: (a) 100 g/s ash rich particle recycle ow at 1150 K,
95 6.00E05
(b) 2.1 g/s coal feed at T = 298 K, (c) 2.5 g/s air/steam ow (1.648 molar ratio) at
100 7.00E05
T = 1250 K. Total feeding pressure: 1.1 MPa.
346 A. Abbasi et al. / Chemical Engineering Journal 174 (2011) 341350
Fig. 4. The contour of gas species at 10 s simulation. Operating conditions: (a) 100 g/s ash rich particle recycle ow at 1150 K, (b) 2.1 g/s coal feed at T = 298 K, (c) 2.5 g/s
air/steam ow (1.648 molar ratio) at T = 1250 K. Total feeding pressure: 1.1 MPa.
uid temperature variations across the column radius. These data
supports a close to PFR model which neglects radial temperature
variations across the unit section.
Fig. 4 reports product composition at various radial and axial
positions at 10 s of simulation for Condition 1. These results show
that the product fraction can change with both axial and radial
position. As well simulation shows local variation with time,
though time average values appear to be fairly stable. Regarding
O2 consumption, the contour of Fig. 4g, supports the simplifying
assumption that all O2 reacts in the very bottom of the column
feeding section (Zone 1). This oxygen depletion takes place con-
currently with pyrolysis as a preamble to the gasication taking
place in the rest of the gasier unit.
Choking is commonly dened as a phenomenon where a sud-
den change in the solids holdup occurs in a gassolid uidization
system. The gas ow under these conditions is not capable of sus-
taining the gas solid suspension [27].
To study the ow behaviour of the gassolids in a fast u-
idized bed in the near feeding region and the possibility of the
bed losing stability with choking, the particle volume fraction was
calculated at 1 m column height which corresponds to about the
middle of the gasier bed feeding section as reported in Fig. 5.
Results in Fig. 5 show that the particle volume fraction for the
ow with ash rich recycled stream fed at 1150 K (Condition 1)
are 0.02 and the uctuations standard deviations are limited to
0.008. This represents a bed with mild local solid particle den-
sication. For instance, the choking conditions for the FCC type A
particles are about 0.04 [28]. Thus the CPFD model is valuable to
conrms that in the case of Condition 1 bed choking is unlikely to
take place with this providing a stable operating condition for the
gasier.
Using the same methodology the particle volumetric concentra-
tion for an ash rich particle stream recycled at 1350 K or Condition
2 is also reported in Fig. 5. A similar average solid concentration
of 0.02 is observed with solid concentrations uctuations limited
to uctuations with a standard deviation of 0.014. This also con-
rms that in the case of Condition 2 the gasier is operated under
conditions where chocking of the bed is avoided.
 A. Abbasi et al. / Chemical Engineering Journal 174 (2011) 341350
Fig. 5. Transient particle volume fraction distributions at 1 m. Operating conditions:
(a) 100 g/s ash rich particle recycle ow at 1150 K and1350 K, (b) 2.1 g/s coal feed
at T = 298 K, (c) 2.5 g/s air/steam ow (1.648 molar ratio) at T = 1250 K. Total feeding
pressure: 1.1 MPa.
Fig. 6. The outlet gas species mass fractions. Operating conditions: (a) 100 g/s ash
rich particle recycle ow at 1150 K, (b) 2.1 g/s coal feed at T = 298 K, (c) 2.5 g/s
air/steam ow (1.648 molar ratio) at T = 1250 K. Total feeding pressure: 1.1 MPa.
The efuent product compositions as calculated for the two dif-
ferent recycles temperatures and the same operating conditions
(recycle ow is ow of 100 g/s, the coal feed is 2.1 g/s with T = 298 K
and air steam ow is 2.5 g/s with T = 1250 K) are reported in Figs.
6 and 7. In both cases, the simulations take approximately 3 s to
reach a stable state numerical solution. It is understood the cal-
culated product concentrations will uctuate over time with their
average value at a given axial position being very stable.
Fig. 7. The outlet gas species mass fractions. Operating conditions: (a) 100 g/s ash
rich particle recycle ow at 1350 K, (b) 2.1 g/s coal feed at T = 298 K, (c) 2.5 g/s
air/steam ow (1.648 molar ratio) at T = 1250 K. Total feeding pressure: 1.1 MPa.
347
Fig. 8. PFR gas species mass fractions prole along the bed feeding section. Oper-
ating conditions: (a) 100 g/s char ow at 1150 K, (b) 2.1 g/s coal feed at T = 298 K,
(c) 2.5 g/s air/steam ow (1.648 molar ratio) at T = 1250 K. Total feeding pressure:
1.1 MPa.
Figs. 8 and 9 report the axial concentration prole in the PFR. The
total char conversion in Condition 1 is 26.3% while it is found to be
27.7% for Condition 2. On this basis of the results reported in Fig. 8
one can postulate that for an ash rich particle recycle ow at 1150 K
or Condition 1, there is little change of various gases once combus-
tion and devolatilazation is complete. Fig. 9 reports the product
distribution changes in the case of Condition 2 when the recycle
ow temperature is increased up to 1350 K. In contrast with the
operation at 1150 K, at 1350 K both CO and H2 O are now reduced
with CO2 and H2 fractions increased suggesting a signicant gain
in importance of the water gas shift reaction.
Fig. 10 compares the axial temperature proles using both PFR
and CPFD models. Figs. 11 and 12 describe the chemical species
product fractions at 1.10 m total unit height which corresponds to
a close to the expected total height gasier feeding section. Data
reported in these gures was obtained in the case of the CPFD using
radial and time averages values.
One can notice that there is close agreement for both tempera-
tures and molar fractions of various chemical species. Thus, these
results conrm that there are minor discrepancies in H2 , H2 O, CO
and CO2 concentrations and temperatures using either the CPFD
or the PFR at 1.10 m axial position. Based on this analysis, one can
conclude that the PFR model is very effective for the description of
thermal and concentration changes in the gasier feeding section.
In summary, a PFR simplied model is adequate to predict con-
centration of species and thermal gradients in a gasier as the type
proposed by the CRIPI of Japan. This pseudo homogeneous PFR
model is simple to handle and can be solved even for fairly complex
Fig. 9. PFR gas species mass fractions prole along the bed feeding section. Oper-
ating Conditions: (a) 100 g/s ash rich particle recycle ow at 1350 K, (b) 2.1 g/s coal
feed at T = 298 K, (c) 2.5 g/s air/steam ow (1.648 molar ratio) at T = 1250 K. Total
feeding pressure: 1.1 MPa.
348 A. Abbasi et al. / Chemical Engineering Journal 174 (2011) 341350
Fig. 10. CPFD and PFR temperature prole along the bed for recycles ow temper-
atures of 1150 K and 1350 K with a ash rich particle recycle ow of 100 g/s. The coal
feed is 2.1 g/s with T = 298K and air steam ow is 2.5 g/s with T = 1250 K. Total feeding
pressure: 1.1 MPa.
Fig. 11. Comparison of efuent compositions for CPFD and PFR models. Operating
conditions: (a) 100 g/s ash rich particle recycle ow at 1150 K, (b) 2.1 g/s coal feed
at T = 298 K, (c) 2.5 g/s air/steam ow (1.648 molar ratio) at T = 1250 K. Total feeding
pressure: 1.1 MPa.
Fig. 12. Comparison of the efuent results from CPFD and PFR. Operating conditions:
(a) 100 g/s ash rich particle recycle ow at 1350 K, (b) 2.1 g/s coal feed at T = 298 K,
(c) 2.5 g/s air/steam ow (1.648 molar ratio) at T = 1250 K. Total feeding pressure:
1.1 MPa.
gasication kinetics as the one of the present study. Model differ-
ential equations can be solved equation solvers such as the ones
available in Matlab and Mathcad . There are also other software
packages that provide solutions for general PFR reactors with user
dened kinetics such as Comsol .
However these simplied models experience severe limitations
to properly account for the reactor uid dynamics such is the one
observed in the feeding section of the gasier of the present study.
It is in this respect, that more comprehensive simulation tools such
the CFD or the CPFD techniques of this study are needed to add
critical information to the gasier model description.
In this respect, CPFD is called to provide detailed information at
every point inside the reactor mesh an at any time step during the
simulation. Thus in this context, simulation results are very use-
ful for investigating gas-suspension ow phenomena, suspension
dynamic behaviour and local suspension of ow effects. However
even if very valuable CPFD simulations may be time consuming.
Thus, CPFD simulation is recommended for testing specic condi-
tions where gasication and gasier design are well established.
Furthermore CPFD simulations can also surpass PFR modeling
when there is a need for evaluating the effect of design changes to
existing systems. In the specic case of the present study CPFD is
called to describe the uid dynamic of a gasier in the near feeding
region, a critical region where early warnings of suspension choking
will manifest. It is in fact with the help of CPFD that one can establish
conditions for stable and free of choking gasier operation.
Finally one can also argue that PFR simulation provides a valu-
able support to the calculations with CPFD. Time and cross-section
averaged values for CPFD gasier models should provide close com-
position and temperatures with respect to the ones resulting from
PFR if the numerical calculations with CPFD model converged ade-
quately.
8. Conclusion
The following are the conclusions of the present study:
(a) The PFR and the CPFD simulations of the present study provide
valuable and complementary information about the operation
of the feeding gasier section.
(b) The PFR model gives good estimations of temperature and
chemical composition of the various species.
(c) The PFR model also revealed itself as a valuable tool for
checking adequate CPFD gasier simulations and calculation
convergence. This is accomplished showing that the time and
cross-section averaged temperature and concentrations for the
CPFD closely approximate the ones for the PFR.
(d) The CPFD simulation provides valuable description of local and
dynamic particle concentration, gas and particle velocities.
(e) The CPFD simulation gives important information for the oper-
ation and design of coal gasiers. The CPFD model allows
predicting early signs of suspension choking in the gasier feed-
ing section. As a result, using CPFD one can determine safe
operating conditions for fast uidized bed coal gasiers.
List of symbols
A reactor cross section (m2 )
Cd drag coefcient, dimensionless
Cp,i specic heat i (J/mol K)
Df diffuse bounce
Dp interphase drag coefcient (m/s2 )
en particlewall normal retention coefcient
et particlewall tangential retention coefcient
E dened by Eq. (4) (J/kg)
F momentum exchange rate per volume between the uid
and particle phase (N s/m3 )
 A. Abbasi et al. / Chemical Engineering Journal 174 (2011) 341350 349

Fcoal molar ow rate of coal (mol/s) vr,j reference stoichiometric coefcient based on Rj , dimen-
Fix molar ow rate of species i at position x (mol/s) sionless
g gravitational acceleration (m/s2 ) vp particle velocity (m/s)
Gg gas ux (kg/m2 s)
Gs solid ux (kg/m2 s) Species designations
H enthalpy for ideal gases (J/kg) Ash rich solid particles with a high ash content as described in
Hi enthalpy for ideal gas of species i (J/kg) Table 4
IP maximum pressure iterations Char solid particles at the outlet of the gasier
Iu maximum velocity iterations Coal solid particles with content of char, volatile, H2 O, and ash
Iv maximum volume iterations as described in Eq. (12)
Nf particle feed per average volume
Np computation particle per cell
Nc total number of clouds Acronyms
P uid pressure (N/m2 ) CPFD computational particle uid dynamics
Pi partial pressure (N/m2 )
Ps positive constant (N/m2 ) Acknowledgments
q energy transfer due to conduction, species diffusion and
viscous dissipation (J/m2 s) We would like to acknowledge the valuable support of the
Q heat losses from the PFR model (J/s) MITACS program and the Reactech Process Development Inc. who

Q energy source term (J/m3 .s) supported a PDF position for Dr. Alireza Abassi at the University
rP pressure residual of Western Ontario. We are also grateful to the Natural Sciences
ru velocity residual and Engineering Research Council of Canada (NSERC) who also con-
rv volume residual tribute nancially to the development of this research.
Rj reaction rate of species j (mol/m3 s)
Sf uid source term (kg/m3 s) References
Tg gas temperature (K)
Tref reference temperature for the heat of reaction (K) [1] Molerus, Hydrodynamische Stabilitt des Fliebetts, Chem. Ing. Tech. 39 (1967)
341348.
V volume of the reactor (m3 ) [2] H. de Lasa, G. Gau, Inuence des agrgats sur le rendement dun racteur
Vp particle volume (m3 ) transport pneumatique, Chem. Eng. Sci. 28 (1973) 18751884.
x position in the PFR model (m) [3] Y. Yous, G. Gau, P. Le Goff, Racteur multitubulaire transport pneumatiqu,
Int. Symp. One uidization Toulouse Soc. Chem. France (1973).
Xsl mass fraction of the xed carbon in the solids, dimension- [4] W.C. Yang, Handbook of Fluidization and Fluid-Particle Systems, Marcel Dekker,
less Inc., 2003.
Yi mass fraction of species i, dimensionless [5] U. Mann, Principles of Chemical Reactor Analysis and DesignNew Tools for
Industrial Chemical Reactor Operations, John Wiley & Sons, Inc., 2009.
[6] S. Zimmermann, F. Taghipour, CFD modeling of the hydrodynamics and reac-
tion kinetics of FCC uidized-bed reactors, Ind. Eng. Chem. Res. 44 (26) (2005)
Greek letters 98189827.
1 and 1 stoichiometric coefcient of CH4 , dimensionless [7] J. Jung, I.K. Gamwo, Multiphase CFD-based models for chemical looping
2 and 2 stoichiometric coefcient of H2 , dimensionless combustion process: fuel reactor modeling, Powder Technol. 183 (3) (2008)
401409.
3 and 3 stoichiometric coefcient of CO, dimensionless [8] B. Dou, V. Dupont, P.T. Williams, Computational uid dynamics simulation of
4 and 4 stoichiometric coefcient of CO2 , dimensionless gassolid ow during steam reforming of glycerol in a uidized bed reactor,
and stoichiometric coefcient of H2 O, dimensionless Energ. Fuel. 22 (6) (2008) 41024108.
[9] D.M. Snider, S. Banerjee, Heterogeneous gas chemistry in the CPFD
particle/uid slip ratio
EulerianLagrangian numerical scheme (ozone decomposition), Powder Tech-
maximum momentum redirection from collision nol. 199 (1) (2010) 100106.
constant number, dimensionless [10] FLUENT 6.3 Users Guide; FLUENT Inc.: Lebanon, NH, 2006.
[11] L. Huilin, H. Yurong, D. Gidaspow, Hydrodynamic modelling of binary mixture
constant number, dimensionless
in a gas bubbling uidized bed using the kinetic theory of granular ow, Chem.
s solid porosity, dimensionless Eng. Sci. 58 (7) (2003) 11971205.
H1 enthalpy changes for species coming the control volume [12] L.S. Leung, Vertical pneumatic conveying: a ow regime diagram and a
(J/s) review of choking versus non-choking systems, Powder Technol. 25 (2) (1980)
185190.
H2 total heat of reaction in the control volume (J/s) [13] D.M. Snider, Three fundamental granular ow experiments and CPFD predic-
H3 enthalpy changes for species leaving the control volume tions, Powder Technol. 176 (1) (2007) 3646.
(J/s) [14] C.E. Brennen, Fundamentals of multiphase ow, Cambridge University Press,
2005.
Hr heat of reaction (J/mol) [15] L.M. Zou, Y.C. Guo, C.K. Chan, Cluster-based drag coefcient model for sim-
t time step (s) ulating gassolid ow in a fast-uidized bed, Chem. Eng. Sci. 63 (4) (2008)
V control volume (m3 ) 10521061.
[16] F.M. Auzerais, R. Jackson, W.B. Russel, The resolution of shocks and the effects
f gas viscosity (N s/m2 ) of compressible sediments in transient settling, J. Fluid Mech. 195 (1988)
f uid density (kg/m3 ) 437462.
p particle density (kg/m3 ) [17] M. Syamlal, L.A. Bisset, METC Gasier Advanced Simulation (MGAS) Model,
DOE/METC92/4108, DE92 001111, 1992.
 cp particle volume fraction at close packing limit, dimen-
[18] M. Syamlal, C. Guenther, A. Gel, S. Pannala, Advanced coal gasier designs using
sionless large-scale simulations, J. Phys.: Conf. Ser. 180 (2009) 012034.
f uid volume fraction, dimensionless [19] Q. Li, M. Zhang, W. Zhong, X. Wang, R. Xiao, B. Jin, Simulation of coal gasica-
tion in a pressurized spout-uid bed gasier, Can. J. Chem. Eng. 87 (2) (2009)
p particle volume fraction, dimensionless
169176.
Re Reynolds number, dimensionless [20] F. Bustamante, R.M. Enick, R.P. Killmeyer, B.H. Howard, K.S. Rothenberger,
 uid stress tensor (N/m2 ) A.V. Cugini, B.D. Morreale, M.V. Ciocc, Uncatalyzed and wall-catalyzed forward
p particle normal stress (N/m2 ) watergas shift reaction kinetics, AIChE J. 51 (5) (2005) 14401454.
[21] L. Yu, J. Lu, X. Zhang, S. Zhang, Numerical simulation of the bubbling uidized
vf uid velocity (m/s) bed coal gasication by the kinetic theory of granular ow (KTGF), Fuel 86 (56)
vi,j stoichiometric coefcient of species j, dimensionless (2007) 722734.
350 A. Abbasi et al. / Chemical Engineering Journal 174 (2011) 341350

[22] E. Salaices, B. Serrano, H. de Lasa, Biomass catalytic steam gasication ther-
modynamics analysis and reaction, experiments in a CREC riser simulator, Ind.
Eng. Chem. Res. 49 (15) (2010) 68346844.
[23] C.Y. Wen, C.Y., H. Chen, M. Onozaki, Users Manual for Computer Simu-
lation and Design of the Moving Bed Coal Gasier, DOE/MC/16474-1390,
NTIS/DE83009533, 1982.
[24] H. Watanabe, M. Otaka, Numerical simulation of coal gasication in entrained
ow coal gasier, Fuel 85 (1213) (2006) 19351943.
[25] Slezak, J.M. Kuhlman, L.J. Shadle, J. Spenik, S. Shi, CFD simulation of entrained-
ow coal gasication: coal particle density/size fraction effects, Powder
Technol. 203 (1) (2010) 98108.
[26] K.L. Cashdollar, M.J. Sapko, E.S. Weiss, M.L. Harris, C.K. Man, S.P. Harteis, G.M.
Green, Recent Coal Dust Particle Size Surveys and the Implications for Mine
Explosions, Centers for Disease Control and Prevention, October, National
Institute for Occupational Safety and Health, Pittsburgh Research Laboratory,
Pittsburgh, PA, 2009.
[27] B. Du, L.S. Fan, Characteristics of choking behavior in circulating uidized beds
for group B particles, Ind. Eng. Chem. Res. 43 (18) (2004) 55075520.
[28] D. Bai, A.S. Issangya, J.R. Grace, A novel method for determination of choking
velocities, Powder Technol. 97 (1) (1998) 5962.