Combustion Theory and Modelling

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Modelling coal gasification in an entrained flow

gasifier

Xiang Jun Liu , Wu Rong Zhang & Tae Jun Park

To cite this article: Xiang Jun Liu , Wu Rong Zhang & Tae Jun Park (2001) Modelling coal
gasification in an entrained flow gasifier, Combustion Theory and Modelling, 5:4, 595-608, DOI:
10.1088/1364-7830/5/4/305

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 INSTITUTE OF PHYSICS PUBLISHING COMBUSTION THEORY AND MODELLING
Combust. Theory Modelling 5 (2001) 595608 PII: S1364-7830(01)17286-4

Modelling coal gasification in an entrained flow gasifier

Xiang Jun Liu1,3 , Wu Rong Zhang1 and Tae Jun Park2
1 Thermal Engineering Department, University of Science and Technology Beijing,

Beijing 100083, Peoples Republic of China

2 Energy Environment Research Department, Korea Institute of Energy Research (KIER),

PO Box 103, Yusung, Taejon, 305-343, Korea

E-mail: liuxj@me.ustb.edu.cn

Received 20 September 2000, in final form 10 September 2001

Downloaded by [Monash University Library] at 18:02 03 December 2017

Published 29 October 2001

Online at stacks.iop.org/CTM/5/595

Abstract
Coal gasification processes in a slurry-feed-type entrained-flow gasifier are
studied. Novel simulation methods as well as numerical results are presented.
We use the vorticitystream function method to study the characteristics of gas
flow and a scalar potential function is introduced to model the mass source
terms. The random trajectory model is employed to describe the behaviour of
slurry-coal droplets. Very detailed results regarding the impact of the O2 /coal
ratio on the distribution of velocity, temperature and concentration are obtained.
Simulation results show that the methods are feasible and can be used to study
a two-phase reacting flow efficiently.

1. Introduction

Direct combustion of coal results in serious environmental problems. Among the current
clean coal technologies (CCT), integrated gasification combined cycle (IGCC) technology
is widely regarded as a practical coal-utilizing technology due to its advantages of high-
energy conversion efficiency and low pollutant emissions that can meet the ever more stringent
environmental regulations.
The slurry-feed-type entrained-flow coal gasifier is an effective reactor. Its advantages
over other gasification processes include high capacity, simplicity, rapid response and high
turn-down ratio. Construction of a commercial-scale IGCC power plant using this type of
gasifier has been scheduled. Nevertheless, building a commercial-scale IGCC power plant is
still risky because many aspects are not clear. Further studies of this gasification process are
highly desirable (Park 1996).
Nevertheless, it is very difficult to elaborate on the gasification process in detail even
using the most advanced testing instruments, and the challenges are the large temperature
and composition gradients, the rapid variation of the reaction rate resulting from the high
3 Author to whom correspondence should be addressed.

1364-7830/01/040595+14$30.00 2001 IOP Publishing Ltd Printed in the UK 595

 596 X J Liu et al

heating rates, and the low residence times. Alternatives to real-time experimental studies
are numerical simulations using a proper model, which enable us to gain an insight into the
operation of gasifiers.
Modelling of the coal gasification process has received significant attention over the last
two decades. Several mathematical models have been developed, in particular, for entrained
flow gasifiers. Wen and Chaung (1979) and Govind and Shah (1984) developed models for
Texacos slurry-fed entrained gasifiers. Ni and Williams (1995) developed a multivariable
model for Shells coal gasifiers. Recently, Liu et al (2000) studied numerically the gasification
process in a pressurized entrained-flow coal gasifier. Nevertheless, the majority of the
gasification models developed so far are still one dimensional and do not consider the influence
of char recycling.
Taking gas turbulence and coal particle dispersion into account, two- and three-
dimensional comprehensive pulverized coal gasification and combustion models (PCGC-2,
3) were developed by Smoot and Smith (1985) and Hill and Smoot (1993), while PCGC-2 has
been applied to bench-scale entrained-flow gasifiers (Brown et al 1988). Recently, Chen and
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Horio (2000) also developed a three-dimensional entrained-flow coal gasification model. The
common features of these CFD coal gasification models are that they treat the gas phase in the
Eulerian framework and solve the mass, momentum and energy conservation equations using
the SIMPLE algorithm (Patankar 1980).
For the axisymmetric flow calculation, an advantageous approach over the SIMPLE
algorithm is the vorticitystream function method (Gosman et al 1969). By defining
ur ux
vorticity: = (1)
x r
1 1
stream function: ux = ur = (2)
r r r z
the time-averaged equations for conservation of mass and momentum can be expressed in
terms of a vorticity and a stream function rather than the primitive variables p, ux and ur .
Therefore, the obstacle in the velocity field calculation is ingeniously removed by eliminating
the pressure terms (Anderson 1984).
However, the general vorticitystream function method is not directly applicable to two-
phase flow. This paper investigates the method of using the vorticitystream function to model
a two-phase coal gasification process and to fulfil the two-phase coupling calculation. In
our method, a scalar potential function is introduced to fulfil the mass source terms, and the
comprehensive model covers the two-phase turbulent flow, heat transfer and chemical reactions.
The prototype of the simulation is based on the KIER 0.5 T/D entrained-flow gasifier. Details
of the simulation method and the numerical results are presented in the rest of this paper.

2. Introduction of the scalar potential function

For a steady two-phase reacting flow, the gas-phase continuity equation can be expressed as:

dmk
( V ) = Spm = nk (3)
k
dt
where Spm , nk and mk denote the mass source term, the particle number density, and the particle
mass, respectively. In addition,
V = u + w
 (4)
( u) = 0. (5)
 Modelling coal gasification in an entrained flow gasifier 597

Hence, there exists a stream function for axisymmetric flow, denoted as ,

1 1
ux = ur = . (2)
r r r z
From equations (3)(5), we have
( w)
 = Spm (6)
where
w
 = (7)
and is the scalar potential function. For axisymmetric flow,
1 1
wx = wr = (8)
x r
2 = Spm . (9)
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3. Two-phase turbulent reacting models

3.1. The transport equations governing the gassolid reacting flow

Simulation of the gasification process in a slurry feed entrained-flow coal gasifier is very
complicated since it includes the simulation of turbulent gas flow, two-phase turbulent flow,
two-phase heat transfer and two-phase combustion and gasification. In this paper, the governing
equations for gas and particle phases are based on the time-averaged conservation equation of
mass, momentum, species and energy. The models we used include the k two-equation
turbulence model (Launder and Spalding 1972), the random trajectory model (Shuen et al
1983) with Lagrangian coordinates and the four-flux model (Gosman and Lockwood 1972)
for radiative heat transfer. For a two-phase reaction, the coal devolatilization model (Kobayshi
1977) and the unreacted-core shrinking model (Wen 1968) are used to estimate a series of coal
reactions. For the gaseous turbulent reaction, two different reactions rates are calculated: the
first reaction rate uses the Arrhenius reaction rate presented later in table 4, and the second
reaction rate is determined by the eddy break-up (EBU) turbulent gaseous reaction model
(Spalding 1971); the smaller one is assumed to be the governing rate.
The corresponding governing equations for gas and particle phases are listed in tables 1
and 2. The model constants for these equations are given in the appendix.

3.2. Gassolid reacting rates

The transport equation of each gaseous species can be expressed as:
   
1 e fi 1 e fi
(ufi ) + (rvfi ) = + r + S fi (10)
x r r x f x r r f r
where


m
Sfi = H2 O RH2 O + Rdev i + Ri (11)
n=1

1 fi = fH2 O
H2 O = (12)
0 fi = fH2 O .
 598 X J Liu et al

Table 1. Governing equations for the gas phase (e = + C k 2 /).

Terms Equations

Mass ( V ) = Spm
 
Momentum ( V V ) = P + 23 k + F + Spv
 

= e ( V ) + ( V )  T
 
e
Energy ( V h) = h + QR + Sph
h
 

( e
Turbulent energy ( V k) = 3 k V + V +
2
k
k
 
 
Dissipation rate ( V ) = 23 C1 C3 V +

 ( 
+ C1 V C2
k
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Table 2. Governing equations for particle phase.

Terms Equations
 
Momentum duk /dt = ug + ug uk /r g
 
dvk /dt = vg + vg vk /r

xk = uk dt

rk = vk dt

Mass mk = mw + mv + mhr

 
mw,s mw,
mw = dk ShD ln 1 +
1 mw,s
mw,s = Bw exp (Ew /RTk )
   

Ev1 Ev2
mv = mc 1 Bv1 exp + 2 Bv2 exp
RTk RTk
   

Ev1 Ev2
dmc /dt = mc Bv1 exp + Bv2 exp
RTk RTk
mhr = mCOx + mCCO2 + mCH2 O + mCH2
 
1
1 1 1 1  
mci = ai + + 1 Pi Pi
kdiff,i ks,i Y 2 kdash,i Y
dTk   ln(1 + B)
Energy mk Ck = dk2 T 4 Tk4 + dk N u (T Tk )
dt B


mw Lw mv1 7h1 mv2 7h2 + mci Ql
l

RH2 O denotes the quantity of gas originating from moisture evaporation. The evaporation
rate is calculated based on the diffusion model (Smoot 1993). Rdev is the quantity of gas
originating from coal de-volatilization. It is modelled as a pair of parallel first-order irreversible
reactions (Kobayshi 1977). i is the proportion of evolved volatile. For Kideco coal, the
compositions of CO, CO 2 , H2 and CH4 are 40.02%, 27.5%, 20.12% and 12.36%, respectively
(Lee and Park 1998). m n=1 Ri is the total source term of each species caused by homogeneous
and heterogeneous reactions. In the following sections we introduce how to calculate this term.
 Modelling coal gasification in an entrained flow gasifier 599

3.2.1. Chargas heterogeneous reactions. In an entrained-bed gasifier, most of the chargas

reactions can be considered as surface reactions because of the high operation temperature
(above 1000 C). Since the system is very dilute, it is possible to neglect particle-to-particle
interaction. We assume that the ash layer formed remains on the coal particle during the
reaction. The unreacted-core shrinking model (Wen 1968) is used to estimate the solidgas
reaction rates. In this model the effects of ash layer diffusion, gas film diffusion and chemical
reaction are considered. The overall rate can be expressed as
 
1
1 1 1 1  
rate = + + 1 Pi Pi g cm2 atm1 s1 (13)
kdiff ks Y 2 kdash Y
where Y = rc /R = [(1 x)/(1 f )]1/3 ; f is the conversion based on original dry coal when
pyrolysis is finished; x is the conversion based on original dry coal at any time after pyrolysis
is completed; kdiff is the gas film diffusion constant; ks is the ash film diffusion constant;
kdash = kdiff 2.5 is the ash film diffusion constant; is the voidage in the ash layer and is
assumed to be a constant ( = 0.5) in this paper; Pi is the partial pressure of the ith component
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gas; Pi Pi is the effective partial pressure of the ith component, taking into account the
reverse reaction effect.
The chargas heterogeneous reactions considered in this paper include the charO2
reaction, the charsteam reaction, the charCO2 reaction and the charhydrogen reaction.
Calculations of kdiff , ks , Pi Pi in equation (13) are listed in table 3. Products of the
charO2 reaction are CO and CO2 . However, experimental results show that [CO]/[CO2 ] =
2500 exp(6249/T ) (Arthur 1951) which implies that the content of CO2 is much less and
could be neglected when the temperature is higher. In this paper, we consider the production
of CO only.
Table 3. Rate expressions for the chargas heterogeneous reactions. (Ts and Tg are the temperatures
of the char particle and gas, respectively.)

Process Reaction Calculation of kdiff , ks , Pi Pi

CharO2 reaction (Wen and Chaung 1979) C + 21 O2 CO ks = 8710 exp (17 967/Ts )
  
4.26 Tg 1.75  
kdiff = 0.584 Pt dp
Tg 1800
Pi Pi = PO2

Charsteam reaction (Dobner 1976) C + H2 O CO + H2 ks = 247 exp (21 060/Ts )

 
Tg 0.75  
kdiff = 10 104 Pt dp
2000
 
Pi Pi = PH2 O PH2 PCO /keq
keq = exp [17 644 30 260/(1.8Ts )]

CharCO2 reaction (Dutta et al 1977) C + CO2 2CO ks = 247 exp (21 060/Ts )
 
Tg 0.75  
kdiff = 7.45 104 Pt dp
2000
Pi Pi = PCO2

Charhydrogen reaction (Wen 1968) C + H2 CH4 ks = 0.12 exp (127 921/Ts )

 
Tg 0.75  
kdiff = 1.33 103 Pt dp
2000

Pi Pi = PH2 PCH4 /keq
keq = 0.175
34 713 exp [18 400/(1.8Ts )]
 600 X J Liu et al

Table 4. Rate expressions of homogeneous reactions. (A is the species factor of CO, H2 and CH4 ;
P is the total pressure; Tg is the gas temperature; Mv is the molecule weight of the fuel species;
Cv and C0 are the proportions of fuel gas and oxygen.)

Process Reaction Rate

Fuel gases combustion H2 + 0.5O2 H2 O Ri,k = AP 0.3 Tg Mv (Cv )0.5 C0

 
(Siminski et al 1972) CO + 0.5O2 CO2 exp 12 200/Tg
CH4 + 2O2 CO2 + 2H2 O
 
Watergas shift reaction CO + H2 O CO2 + H2 RCO,k = 0.2 2.77 105
 
(Singh and Saraf 1977) 
 27 760
xCO xCO exp
1.987Tg
(0.5Pt /250)  
Pt exp 8.91 + (5553/Tg )

= 1 PCO2 PH2
xCO = PCO /P ; xCO
Pt keq PH2 O
keq = exp (36 893 + 7234/(1.8T ))
  
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Methanesteam reforming reaction CH4 + H2 O CO + H2 RCH4 ,k = 312 exp 30 000/ 1.987Tg

(Zahradnik and Grace 1974)

3.2.2. Homogeneous reactions. There are a series of homogeneous reactions occurring in

the gasifier, including fuel gas combustion, watergas shift and methanesteam reactions. For
each reaction, both turbulent mixing and finite chemical reaction rates are considered. Kinetic
rate (Ri,k ) expressions of the respective reactions are listed in table 4.
Since the temperature level in the gasifier is high, the gaseous chemical reactions
are generally rapid compared with turbulent micromixing processes. Therefore, the EBU
(Spalding 1971) is employed here to account for the effects of turbulence on the chemical
reaction rates. In this model, the turbulent reaction rate is based on the species concentration
fluctuations and the rate of break-up of the eddies, such as
 0.5
Ri,EBU = CR f 2i /k (14)

where CR is a constant of the EBU model, fi is the concentration of CO, CH4 and H2 ,
respectively, for each reaction.
For each reaction, these two reaction rates introduced above are compared, in the
computational solution procedure, and the smaller of them is taken to represent the effective
controlling rate, i.e.
   
Ri = min Ri,EBU , Ri,k  . (15)

4. Method of solution

Using the vorticitystream function method, the gaseous governing equations listed in table 1
are rewritten and the corresponding general form can be expressed as:
   
     
c c
a b r b r
x r r x x x r r

= rS,s + rS,p . (16)

 Modelling coal gasification in an entrained flow gasifier 601

Table 5. Values of a , b , c , S,s , S,p in the general governing equation.

Equation a b c S,s S,p

Stream function = 0 1/r 2 1 /r s=

Potential function > 0 1 1 0 spm
Vorticity /r r2 r2 + t /Pr1,2 sw /r r 2 dw,p
Turbulent energy K 1 e /k 1 (Gk ) 0
Dissipation rate 1 e / 1 (C1 Gk C2 ) /k 0
Total enthalpy H 1 e /h 1 Qrg Qp
Gaseous species fi 1 e /f 1 0 S fi

The values of a , b , c , S,s , S,p are listed in table 5, where

   

1 1 > 1 >
S= =
r z r z r
 2     
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ux ur 2  ur 2 ux ur 2
Gk = 2e + + + + .
x r rx r x
A non-uniform 3051 grid system is used in this paper. The convection and diffusion terms
are discretized using the upwind and central-difference schemes (Patankar 1980), respectively.
The source terms are also linearized. The finite-difference equations are solved using the
GaussSeidel under-relaxation iteration (Atkinson 1978). The particle equations are solved
using the Gill method (Lambert 1973).
The solution of the particle equations is coupled with the gas phase. Overall convergence
of the two phases is achieved using an iteration procedure. The initial procedure is to iterate
the gas field calculation, and the solution obtained with convergence is used to calculate the
particle momentum, mass and energy equations. A fixed number of iterations for the gas-phase
calculation is again performed using the source terms updated by the particle calculation. Final
convergence is achieved when the gas-phase variables do not change significantly following
the particle calculations.

5. Application to a bench-scale entrained flow gasifier

Figure 1 shows the schematic diagram of a slurry-feed-type entrained-flow coal gasifier located
at KIER (bench-scale unit, 0.5 T/D). It is 2.05 m in height, and the diameter is 0.2 m. Figure 2
shows the arrangement of the burner. The slurry is discharged from the central hole while
oxygen issues from the surrounding eight holes. For the simplicity of simulation, the oxygen
nozzles are considered as an equivalent annulus with the same area as the eight holes. Therefore,
the burner arrangement as shown in figure 3 is used in the simulation and the geometric
dimensions are listed in table 6.
Three cases are simulated in which the O2 /coal ratio (wt/wt) takes values of 0.79, 0.89
and 1.01, respectively. The other operating parameters are listed in table 7. We simulate

Table 6. Geometrical dimensions (in millimetres).

H1 H2 D1 D2 D3 D4 D5
2050 50 200 60 13.28 12 3
 602 X J Liu et al
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Figure 1. Schematic diagram of the gasifier. Figure 2. Arrangement of the burner.

Figure 3. Arrangement of the burner (for simulation).

the gasification of Kideco coal. The burner is designed to introduce an ejecting angle
and a high velocity difference between the primary slurry flow and the secondary oxygen
flow. Consequently, the slurry is immediately affected by the secondary oxygen flow with
high speed and then divided into droplets of different size as soon as it is discharged into
the gasifier. In the simulation, we consider the slurry water and the coal particles as one
 Modelling coal gasification in an entrained flow gasifier 603

Table 7. Operating parameters.

Case 1 Case 2 Case 3

Items (O2 /coal = 0.79) (O2 /coal = 0.89) (O2 /coal = 1.01)
Primary air
Velocity (m s1 ) 2.15 2.14 2.14
CWM feed rate (kg hr1 ) 65.46 65.39 65.48
Coal feed rate (kg s1 ) 40.58 40.54 40.60
Temperature ( C) 20 20 20
Secondary air
Velocity (m s1 ) 244.83 275.44 313.69
Flow rate (N m3 hr1 ) 22.40 25.2 28.7
Temperature ( C) 20 20 20
Injecting angle (deg) 15 15 15

Table 8. Approximate analysis of coal-slurry particles used in the simulation.

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Moisture (wt%) Ash (wt%) Volatile (wt%) Fixed carbon (wt%)

40.74 1.67 28.25 29.34

phase, and then convert the slurry water into the moisture content of the coal-slurry particle.
The corresponding approximate analysis of coal-slurry particles is calculated and shown in
table 8.
Experimental results (Lee and Park 1998) show that the coal-slurry particles to be
calculated in this type of burner can be divided into 11 groups according to their initial
diameters, which are 10, 20, 30, 40, 50, 60, 70, 80, 90, 100 and 110 m, respectively. The
number of tracing trajectories for each group depends on its mass percentage. Fifty-nine
trajectories are calculated in this paper.

6. Calculated results

6.1. The gas velocity, temperature and composition distributions in case 2

Figures 4(a)(g) illustrate the calculated axial distributions of gas velocity, temperature and
composition in case 2.
As shown in figure 4(a), the velocity difference is high near the inlet and it decreases
sharply to a low level away from the inlet. A small recirculation flow near the burner wall can
be observed due to the gas drawn back by the lower pressure near-wall region. The phenomenon
is mainly determined by the burner shape and the high injecting speed of the secondary flow.
The velocity vectors show that the slurry and the oxygen are well mixed.
A reasonable temperature distribution is shown in figure 4(b). The temperature in the
top section (0.00.3 m) is moderate due to the heat-absorbing processes in this area, such
as coal-slurry particles heating, evaporation and devolatilization. High temperatures occur
in the middle section (0.31.2 m) where coal and gaseous fuel gas combustion takes place.
Combustion and gasification reactions are further promoted by the high temperature in this area.
The temperature gradually decreases in the lower section (1.22.05 m) because of gasification
processes and heat absorption by the cold-water-cooled wall.
Figures 4(c) shows the O2 concentration distribution (dry basis): O2 diffuses quickly after
being discharged into the gasifier. As O2 moves further into the gasifier, more and more is
 604 X J Liu et al
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Figure 4. Calculated gas velocity, temperature and composition distributions in case 2.

 Modelling coal gasification in an entrained flow gasifier 605
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Figure 5. Effect of the O2 /coal ratio on the composition profiles.

consumed by coal combustion, and eventually no O2 remains in the lower section (1.22.05 m)
(the blank area denotes the zero contour level). The concentration distributions of CO, H2 ,
CH4 and CO2 (volume fraction, dry basis) shown in figures 4(d)(g) indicate that the four gas
compositions are mainly produced in the middle section (0.31.2 m, the high-temperature area
as shown in figure 4(b)). The concentrations of these four gases remain constant in the lower
section (1.22.05 m).
 606 X J Liu et al

Table 9. Comparison of experimental and calculated compositions for the product gases.

CH4 CO2 CO H2
Calculated data 0.0144 0.32 0.385 0.28
Experimental data 0.0035 0.34 0.42 0.23

Table 9 compares the calculated product gas compositions with experimental data (Lee
and Park 1998). The differences for CO2 , CO and H2 are within 5%, and very low fractions
of CH4 are obtained in experiment as well as in simulation.

6.2. Effect of the O2 /coal ratio

The effects of O2 /coal ratio (wt/wt) on the gasification process are shown in figures 5(a)(e).
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Three typical cases with O2 /coal ratios of 0.79, 0.89 and 1.01 are simulated. The concentrations
of gas composition at the centreline of the gasifier are studied.
Figure 5(a) shows that the distinct peak O2 concentration region in the top section reduces
as the O2 /coal ratio increases. This implies that the diffusion of O2 flow is intensified by
increasing its flow rate. Figures 5(b)(e) show the concentrations of the other four gas species.
Their distributions are nearly constant in the lower section of 1.22.05 m since combustion
and gasification reactions mainly occur outside this section.
Figures 5(a)(e) shows that the O2 /coal ratio has a significant effect on the gas product
distribution. An increase in the O2 /coal ratio leads to a reduction in H2 and CO concentration,
but results in an increase in the CO2 concentration. In addition, the variations of the
concentration distribution at the centreline imply that the O2 /coal ratio also affects the
concentration distribution of each gas species in the gasifier.

7. Concluding remarks

In this paper the two-phase coal gasification process in a slurry-feed-type entrained-flow gasifier
is simulated numerically using the vorticitystream function method, and a scalar potential
function is introduced for a two-phase reacting flow. The calculated results are reasonable
and are in agreement with the experimental results. The model and mathematical methods
employed in this paper are viable.
Moreover, the calculated results show that the O2 /coal ratio has a significant influence
on the product gas distribution. An increase in the O2 /coal ratio decreases the H2 and CO
concentration but increases the CO2 concentration in the product gas. The O2 /coal ratio also
affects the concentration distribution of each gas species in the gasifier.

Acknowledgments

This work is sponsored by the Scientific Research Foundation for Returned Overseas Chinese
Scholars, State Education Ministry, Peoples Republic of China. The authors would like to
thank KIER for supplying gasifier parameters. We are also grateful to the anonymous reviewers
for their extremely constructive reviews, which improved the paper significantly.
 Modelling coal gasification in an entrained flow gasifier 607

Appendix

Table A1. The model constants and parameters for gas and particle phases.

Constants or parameters Values

Turbulent model constants
EBU model constant
Moisture vaporization parameter
Devolatilization parameter
Radiative constant
Heat lost from evaporation
and devolatilization
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C1 = 1.44, C1 = 1.92, C = 0.09
k = 1.0, = 1.3, h = 1.0, f = 1.0
CR = 3.0
Bw = 8.32 105 , Ew = 4.228 104 J mol1
Ev1 = 7.366 104 J mol1 , Ev2 = 2.511 105 J mol1
Bv1 = 3.7 105 s1 , Bv2 = 1.46 1013 s1
= 1.36 1011 kcal m2 K 4 s1 , = 0.95
Lw = 539 kcal kg1 , 7h1 = 105.91 kcal kg1 ,
7h2 = 105.91 kcal kg1
QCO2 = 7831 kcal kg1 , QCH2 O = 2705 kcal kg1 ,

Heat lost/originated from

heterogeneous reactions QCH2 = 1798 kcal kg1 , QCCO2 = 3382 kcal kg1
Gaseous reaction heat QH2 O2 = 28 619.6 kcal kg1 , QCOO2 = 2414.7 kcal kg1 ,
QCH4 O2 = 11 953.6 kcal kg1 , QCOH2 O = 351.36 kcal kg1 ,
QCH4 H2 O = 3079.43 kcal kg1

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