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The manuscript was received on 20 April 2010 and was accepted after revision for publication on 9 September 2010.
DOI: 10.1177/2041296710394249
Abstract: A dry-feeding entrained bed coal gasifier was numerically modelled by simultaneously
solving the rate equations for chemical reactions of the solid and gas phases. This model describes
simplified physical and chemical processes in the entrained bed coal gasifier. Chemical reaction
processes for coal gasification and combustion are considered along with the simplified gas flow
passage in the reactor, so that progress of reactions at the designated spatial location is repre-
sented. Gasification phenomena of coal particles were separated into devolatilization, gas-phase,
and solid-phase reactions. Coal gasifier geometry was simplified to a pseudo-two-dimensional
(pseudo-2D) reactor model based on the 1D plug flow concept. The dimension in the pseudo-
2D model was conceptually divided by considering the recirculation effect. As a result, carbon
conversion, cold gas efficiency, and temperature distribution were obtained at variable oxygen
to coal mass ratio, steam to coal mass ratio, and operating pressure. Operating conditions could
be appropriately controlled by knowing the degree of reaction in the reactor.
Keywords: coal gasification, entrained bed coal gasifier, process analysis, chemical kinetics
and mass transferred across the reactor radially are in the reactor is obtained, including the recircula-
generally more dominant than that along with the tion pattern [8]. Therefore, the simplified flow pat-
reactor axially. If the distribution of the feedstocks is tern is described based on rough assumptions in the
homogeneous over the gasifier, 1D or 2D modelling is pseudo-2D model. The geometry in the coal gasifier
appropriate. This concept is based on the experimen- is conceptually divided into five sections, (A) burner
tal results in pilot scale [4, 7]. In this study, gasifier zone, (B) upper recirculation zone, (C) lower recircu-
geometry is simplified to a steady-state pseudo-2D lation zone, (D) axial flow zone, and (E) dead zone,
reactor model in stages. Figure 2 shows a simplified based on flow pattern as shown in Fig. 3. However,
schematic of the pseudo-2D reactor model based on the mixed feedstocks flow as 1D plug flow in sequence
the CFD analysis result in the Shell gasifier, as shown as indicated in Fig. 2 and in each designated section
in Fig. 3 [8]. of the pseudo-2D model through 2D effective cross-
From the simulation with the CFD code, FLUENT® , section of each zone. Feedstocks are introduced into
information about scale and passage of fluid flow the gasifier through the two burners. It is assumed that
feedstocks are homogeneously and perfectly mixed. If
introduced flow reaches the central axis of the gasifier
through each burner of diameter 12 cm, the flow is sep-
arated into two flows. One is upper flow of 90 per cent
and the other is lower flow of 10 per cent based on gas
volume. They are recirculated in the upper and lower
parts of the gasifier, respectively. Since the path of the
recirculation is known by CFD analysis, recirculation
time can be calculated by using the rate equations for
modelling coal gasification. After the flow is recircu-
lated in the upper and lower parts, they meet together
at the central axis and then the flow goes to the gasi-
fier exit. A uniform heat loss rate of 10 per cent in the
burner zone and 3 per cent to the wall in the other
zones is assumed [9].
the terminology of volatile matter and fixed carbon is based on a kinetic reaction, including an intermediate
poorly defined. Interrelation among ultimate analysis, mechanism. It is difficult to consider the kinetics of
proximate analysis, and the heating value is not clear. all intermediate reactions for one chemical reaction.
In this study, however, proximate analysis means that In this study, a simple global reaction was consid-
the quantity of fixed carbon is equal to that of char ered. It is appropriate to consider the global reaction
and volatiles are evolved as 38.76 per cent of input coal because it has the advantage of simulating the over-
mass except for an inherent moisture of 2 per cent in all coal reaction rate by considering many chemical
coal. reactions. Equation (2) is the rate equation for mod-
elling the homogeneous reaction. The reaction rate is
3.2.1 Devolatilization proportional to the concentration of reactants in the
gas-phase reactions
The importance of coal devolatilization as the ini-
tial step in coal conversion makes its understanding d[X ] E
= Ai exp − [X ]a [Y ]b (2)
essential in the optimization of processes [10]. Volatile dt RTg
matter is composed of many complex substances.
The composition of volatiles is not arbitrary, as it 3.2.3 Heterogeneous reaction
depends on the composition of original coal. If the
There are two kinds of representative reaction rate
components are assumed, they will remain on state
equations: nth-order and Langmuir–Hinshelwood-
of CX HY OZ based on mass balance. It is difficult to
type reaction rate equations [15]. In this study, the
distinguish components of the volatiles easily. There
nth-order reaction rate was applied to describe the
is some experimental research for devolatilization.
heterogeneous reaction. It is assumed that the overall
The effects of pressure, temperature, and particle size
char reaction rate is proportional to the nth power of
on the yield of products were interpreted [10–13].
partial pressure of the gasifying agent and follows the
As a result, the main factors that influence pyrol-
Arrhenius equation. Equation (3) is the rate equation
ysis are heating rate and peak temperature in the
for modelling the heterogeneous reaction
reactor. However, there is no general theory to pre-
dict the behaviour expected for the wide variety of
dx E
coals and conditions of interest. Complicated struc- = A0 PA exp −
n
(1 − x) 1 − ψ ln(1 − x)
dt RTs
tures and physical and chemical phenomena of the (3)
coal reaction are a part of the reason. In this study,
the components of volatiles were assumed to be CO, In modelling the solid-phase reaction, it is com-
CO2 , CH4 , C2 H6 , H2 , H2 O, and C6 H6 . The mass of liq- mon to consider the chemical reaction as occurring
uid hydrocarbons is represented by benzene (C6 H6 ) on internal surfaces of the solid, but an estimate of the
[14]. The kinetics of individual product formation is surface area of the char is very difficult because of a
modelled using independent, parallel reactions, and large amount of micro-pores. The random pore model
is first order in the amount of product yet to be was applied to describe the gasification model for arbi-
formed. Equation (1) is the first-order rate equation trary pore size distributions in the reacting solid [16]. It
for modelling devolatilization predicts the reaction surface area at a given conversion
as a function of an initial pore structure parameter.
dVi Eij In this modelling, the pore structure parameters were
= kij0 exp − (Vij∗ − Vij ) (1)
dt i
RT assumed as values in the literature [7, 17]. If the value
of the pore structure parameter is zero, this means that
A first-order kinetics model of devolatilization has the char is very porous. A larger value of the pore struc-
been shown to have limitations. Nevertheless, it has ture parameter means that the pore in the char grows
been found to give an adequate representation of with the progress of char gasification.
hydrocarbon yield. A complete devolatilization model Although many chemical reactions occur in the gasi-
would describe the composition and physical state of fier, dominant chemical reactions were considered as
the coal or char particles at all stages of devolatiliza- shown in Table 3. The important reason why these
tion. However, the microscopic analysis is not impor- reactions were selected is that rate constants had
tant in the objectives predicting the process in the been specified in the open literature [7, 14, 15, 17].
reactor. Therefore, a one-step mechanism was applied. Since kinetics should be considered over homoge-
This means that ‘coal → char + volatiles’ can be written neous and heterogeneous reactions, it is necessary to
after pyrolysis finishes. know kinetic data such as pre-exponential factor A
and activation energy E. They are constitutive terms
3.2.2 Homogeneous reaction that represent the rate of each chemical reaction in
the Arrhenius equation. The pre-exponential factor is
There are generally two ways to model gas-phase reac- the total number of molecular collisions per unit time
tions. One is based on a global reaction and the other is and activation energy is a minimum amount of energy
Devolatilization [14]
H2 O 1013 312 16.38
CO 1011 238 6.54
CO2 109 168 3.55
C6 H6 1013 312 12.04
CH4 107 91 0.04
C2 H6 5 × 109 214 0.08
H2 5 × 1010 222 0.13
Chemical reaction Ai (s−1 ) E (kJ/mol) a b c∗
100
The results shown in Figs 5 to 13 are values at the 95
axial flow zone 6 m in the gasifier. The gasifier height
Carbon Conversion (%)
90
on the abscissa is the height after the coal passed by
85
the burner zone, which explains why a non-zero value
80 0.01
was recorded at zero height.
75 0.05
70 0.1
100 65 0.15
60 0.2
90 55
Carbon Converion (%)
0 1 2 3 4 5 6
80 Gasifier Height (m)
70 70
65
65
60
Cold Gas Efficiency (%)
Fig. 9 Effect of steam to coal ratio on cold gas efficiency Fig. 12 Effect of operating pressure on cold gas effi-
ciency
0.01
0.05 2400 2MPa
2100
0.1 3MPa
2300
2000 0.15 4MPa
Temperature (K)
0.2 2200
Temperature (K)
1900
2100
1800
2000
1700
1900
1600 1800
0 1 2 3 4 5 6
0 1 2 3 4 5 6
Gasifier Height (m)
Gasifier Height (m)
Fig. 10 Effect of steam to coal ratio on gas temperature
Fig. 13 Effect of operating pressure on gas temperature
100
increases, carbon conversion increases rapidly and
90
reaches about 100 per cent at the gasifier exit. As the
Carbon Conversion (%)
char + CO2 and char + H2 O, active. Maximum cold gas increases, the partial pressure of gasifying agents will
efficiency is shown in the vicinity of an oxygen to coal increase, so the reactivity of the solid-phase reactions
ratio of 0.5. Meanwhile, as the concentration of oxy- also increases. In this study, the pressure varies from 2
gen increases, cold gas efficiency decreases because of to 4 MPa as a parameter with oxygen to coal ratio 0.75
re-combustion of fuel gas, such as CO, H2 , and CH4 . and steam to coal ratio 0.05.
Cold gas efficiency is competing with carbon conver- Figures 11 and 12 show the effect of pressure on car-
sion on deciding the oxygen to coal ratio. Therefore, bon conversion and cold gas efficiency, respectively. As
the criteria for operating objectives are needed. operating pressure increases, both carbon conversion
Figure 7 shows the effect of oxygen to coal ratio on and cold gas efficiency increase because the reactivity
gas temperature. As the oxygen to coal ratio increases, of char + H2 O and char + CO2 reactions increases. It is
the total mass flowrate is higher. Therefore, gases pass not easy to operate the gasifier in the pressurized con-
through the burner zone fast before the combustion dition than in the atmospheric condition. However, it
of volatiles ends. As a result, the initial temperature in is clear that high efficiencies can be obtained in the
Fig. 7 is smaller as the oxygen to coal ratio increases, pressurized gasifier.
and combustion of fuel gases lasts by oxidation reac- Meanwhile, Fig. 13 shows the effect of pressure
tion of excess oxygen. Therefore, peak temperature is on gas temperature. Although the rate of increase of
higher as the oxygen to coal ratio increases. In this temperature is higher as pressure increases during
case, the maximum cooling point may be high along the early stages of gasification and combustion, peak
with the reactor. temperature is lower. This is because the reactivity
of endothermic gasification reactions becomes active
fast after oxygen is consumed because of the combus-
4.2 Effect of steam to coal ratio tion of volatiles. Therefore, one can know that peak
temperature is inversely proportional to the operating
The purpose of steam input is to protect the refractory
pressure.
from rising temperature and to raise hydrogen yield.
In this study, the steam to coal ratio varies from 0.01
to 0.2 as a parameter at 4.2 MPa pressure and with an 5 CONCLUSION
oxygen to coal ratio of 0.75. A small amount of steam
is introduced because this is the dry-feeding-type coal A dry-feeding entrained bed coal gasifier was mod-
gasifier. elled for process analysis in the reactor. By consider-
Figure 8 shows the effect of steam to coal ratio ing chemical kinetics over gasification processes, the
on carbon conversion. As the concentration of steam degree of reaction was obtained at variable operat-
increases, carbon conversion efficiency increases ing conditions. Results from the numerical simula-
slowly during the early stages of reaction. However, it tions of the process in the model gasifier are carbon
eventually reaches about 98 per cent at the gasifier exit conversion, cold gas efficiency, and gas temperature
in all cases. As the concentration of steam increases, distributions. The main conclusions are as follows.
the rate of gasification and combustion is low because
the overall temperature is low in the reactor. Rate 1. As the concentration of oxygen increases, enough
equations are Arrhenius type and are a function of carbon conversion was obtained and reactor length
temperature. shorter than 6 m was sufficient to get maximum
Figure 9 shows the effect of steam to coal ratio efficiency at a given oxygen to coal ratio.
on cold gas efficiency. As the concentration of steam 2. As the oxygen to coal ratio increases, combustion
increases, cold gas efficiency decreases. Gasification of fuel gases lasted by oxidation reaction of excess
reactions are endothermic reactions, so they require oxygen. Therefore, peak temperature was higher as
sufficient heat from the combustion of volatiles. As the oxygen to coal ratio increases. In this case, the max-
steam to coal ratio increases, however, temperature imum cooling point may be high along with the
will be low because steam has a relatively high heat reactor.
capacity. Figure 10 shows the situation. As a result, the 3. Although the rate of increase of temperature is
concentration of fuel gas produced by the gasification higher as pressure increases during the early stages
reaction is low except for hydrogen because the high of reaction, peak temperature is lower. This is
concentration of steam results in a high concentration because high pressure results in high reactivity
of hydrogen. of endothermic gasification reactions. As pres-
sure increases, the partial pressure of the gasifying
agents, CO2 and H2 O, will increase. As a result,
4.3 Effect of pressure carbon conversion and cold gas efficiency also
increase.
Pressure is an important variable that affects the
gasifier performance. Especially, pressure influences This model has uncertainties as a simplified model.
the reactivity of heterogeneous reactions. As pressure It relies on rate constants that are difficult to measure
at high temperature and pressure. There are few data of the 19th International Symposium on Combustion,
in the open literature on the process analysis of the Haifa, Israel, 1982, pp. 1139–1149.
commercial gasifier for benchmarking this model so 12 Kobayashi, H., Howard, J. B., and Sarofim, A. F. Coal
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of the 16th International Symposium on Combustion,
model prediction may be best used to evaluate trends
Massachusetts, USA, 1976, pp. 411–424.
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13 Suuberg, E. M., Peters, W. A., and Howard, J. B. Product
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edge Economy, New and Renewable Energy Center 16 Bhatia, S. K. and Perlmutter, D. D. A random pore model
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T absolute temperature (K) x carbon conversion
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Ts temperature of solid particle (K) Xi mass fraction of species i
V velocity of mixed gas (m/s) Y reactant Y
Vi mass of volatile species i (kg) Yi mole fraction of species i
Vij amount of product i generated up to
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coal weight particle structure parameter