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Article history: Gasification thermochemical processes of biomass in a 20 kW downdraft gasifier are investigated using a
Received 7 June 2018 robust two-dimensional (2D) computational fluid dynamics (CFD) modelling method. The model includes
Received in revised form 17 September all the four zones of the gasifier namely drying, pyrolysis, oxidation and reduction. A step-by-step
2018
approach is proposed to evaluate the composition of different gas species as a result of the volatile
Accepted 24 September 2018
Available online 25 September 2018
break-up during gasification. However, selecting suitable chemical reactions for the CFD modelling
becomes challenging as the commonly used reactions in kinetic study showed discrepancy in predicting
the synthesis gas compositions. A revised set of chemical mechanisms is therefore proposed in the study
Keywords:
Downdraft gasifier
and the robustness of the approach is examined with results validated against data from literature. The
Biomass gasification study reports how the air equivalence ratio (ER) affects the gasifier temperature and also the composition
CFD modelling of producer gases. The model is then applied to investigate the syngas production of various biomass
DPM model feedstocks sourced from Scottish agricultural sites.
Ó 2018 Elsevier Ltd. All rights reserved.
1. Introduction The producer gases usually contain CO, H2, CH4, N2, and also other
form of undesired pollutants such as CO2 and tar depending on the
An affordable, reliable and clean energy supply is one of the gasification process efficiency. The syngas can then be used as fuel
major challenges currently faced by the modern world. Along with in downstream applications e.g. in internal combustion and gas
the world population growth, the demand of energy is increasing turbine engines, and fuel cell.
day by day and in fact, every nation in the world is looking for a Numerous amount of modelling work are available in the liter-
new and alternative source of energy. Though, biomass energy is ature which focused on the downdraft type gasifier on a different
playing a promising role to that, gasification technology able to level of accuracy and modelling depth. For example, an equilibrium
convert biomass efficiently to valuable gases is a vital need. In gasi- model (also known as a 0D model) of gasification, widely used by
fication, various forms of biomass such as forestry residues, agri- various researchers (Jarungthammachote and Dutta, 2007; Zainal
cultural waste (rice husk, crops, corn), rubber wood, pine et al., 2001; Sharma, 2008; Melgar et al., 2007; Huang and
sawdust etc., could be potentially used for the generation of sus- Ramaswamy, 2009), lacks in clear understanding of the interface
tainable and renewable power and heat. However, as understood, between the gas and solid phase reactions during gasification,
biomass gasification is a complex thermo-chemical process by and also of the temperature and concentration profiles inside a
which biomass converts into synthesis gas (syngas)/producer gases gasifier. On the other hand, a kinetic model, implemented in
through a set of homogeneous and heterogeneous reactive routes. (Wang and Kinoshita, 1993; Blasi, 2000; Maria et al., 2016), though
accounted the reaction kinetics and temperature of gasifier, still
lacks in comprehensive understanding of the biomass gasification
⇑ Corresponding author.
process. Furthermore, this model is unable to investigate the
E-mail address: Manosh.Paul@glasgow.ac.uk (M.C. Paul).
https://doi.org/10.1016/j.ces.2018.09.038
0009-2509/Ó 2018 Elsevier Ltd. All rights reserved.
414 U. Kumar, M.C. Paul / Chemical Engineering Science 195 (2019) 413–422
Nomenclature
Ap surface area of the particle (m2) Sk source terms for the kinetic energy
cp heat capacity of the particle (J/kgK) S source terms for rate of dissipation
Di;m mass diffusion coefficient for species i in the mixture Sct schmidt number for turbulent flow
Dp particle diameter (lm) T local temperature of the continuous phase (K)
DT;i thermal diffusion coefficient for species i Tp temperature of particle (K)
Dt turbulent diffusivity TR temperature of radiation (K)
fh particle absorbs fraction of heat u fluid velocity (m/s)
!
Fi external body forces up particle velocity (m/s)
gi gravitational body forces xi number of mole species
Gb turbulence kinetic energy due to buoyancy Yi mass fraction of species i
Gk turbulence kinetic energy due to the mean velocity gra- YM contribution of the fluctuating dilatation in compress-
dients ible turbulence to the overall dissipation rate
h convective heat transfer coefficient (W/m2K)
hfg latent heat (J/kg) Greek letters
Hreac heat released by the surface reaction q fluid density (kg/m3)
I unit tensor si;j stress tensor
Ji diffusion flux of species i l molecular viscosity
ma mass of ash particle (kg) rk turbulent Prandtl numbers for k
mp;0 initial particle mass at injection re turbulent Prandtl numbers for e
mp mass of the particle (kg) lt turbulent viscosity
mv ðt Þ volatile yield up to time t qp density of the particle
dmp
dt
rate of evaporation (kg/s) ep particle emissivity
Re Reynolds number r Stefan Boltzmann constant (5:67 108 kg s3 K 4 Þ
Ri net rate of production of species i by chemical reaction a1 ; a2 yield factors
Si mass added to the continuous phase from the dispersed
phase
effects of varying operating and design parameters on the produc- Additionally, the distribution of gas composition inside the gasi-
tion of synthesis gas. Therefore, it is understood that an advanced fier is predicted and thoroughly investigated. After the drying pro-
CFD based model might play a crucial role in the further develop- cess, volatile matter decomposition starts due to the heat supply
ment of this research field and also be useful for better understand- from the oxidation zone. The volatile decomposition is an impor-
ing of the fundamental aspects of biomass gasification process and tant stage in gasification because at this stage, biomass releases
its design conditions. However, very few CFD models are available gaseous, char and small amount of hydrocarbons. Therefore, the
in the existing literatures, and most of the studies reported in the lit- concentration of volatile along the gasifier height is another impor-
eratures have only been on the CFD simulation of an entrained gasi- tant part of gasification which is also investigated in this study. To
fier (Chen et al., 2000). A two dimensional axisymmetric CFD model calculate the volatile decomposition from biomass, a volatile
was though developed for a downdraft gasifier, only the oxidation break-up approach (Kumar et al., 2017; Bissett and Syamlal,
zone was considered (Gerun et al., 2008). A three dimensional 1992) is used. In this scheme the mass of each of the elements as
(3D) CFD model was investigated for Co-firing of palm kernel shell well as the overall heat in the solid fuel during the process con-
(PKS) in a pulverized coal power plant (Aziz et al., 2016). serves. To calculate the volatile species release from the biomass,
Furthermore, in the literatures, many other authors (Gómez- each element (C, H, O, N, S) mass is balanced and volatile break-
Barea and Leckner, 2010; Janajreh and Shrah, 2013; Nakod, 2013; up scheme is generated. Furthermore, the rates of the homogenous
Jayah et al., 2003) also used different chemical kinetics for the and heterogeneous reactions along the gasifier height are investi-
kinetic model, but a CFD based model still lacks in clear under- gated to identify the reactions dominating in each gasifier zone.
standing of the best-suited chemical kinetics for gasification mod-
elling. In addition, a huge variation was found in the frequency
2. Gasifier: model geometry and design
factor and activation energy of the chemical reactions (Gómez-
Barea and Leckner, 2010) – thus causing a significant level of
A schematic diagram of the downdraft gasifier containing the
uncertainty in the selection of the reaction kinetics parameters.
various zones (drying, pyrolysis, oxidation/combustion and reduc-
While some authors (Dryer and Glassman, 1973; Howard et al.,
tion) is shown in Fig. 1. As also shown in the figure that the air, as a
1973; Yetter et al., 1988) investigated the effects of having differ-
gasification agent, is injected through the air nozzles to the com-
ence in the chemical kinetics, they especially focused their work
bustion zone, while biomass is fed from the top of the gasifier. Fur-
on the combustion of CO and methane.
ther details on the gasifier design parameters are available in (Paul
In this study, additional chemical reactions compared to the
and Salem, 2016; Salem and Paul, 2018).
previous study (Janajreh and Shrah, 2013) are included with an
aim to make the CFD model robust enough for predicting the bio-
mass gasification processes. These reactions also include the tem- 3. Model description
perature exponent for the partial oxidation, Boudouard,
methanation and water gas shift reactions – the effect of which The governing transport equations include the mass conserva-
was not studied in any previously published work, to the best of tion, momentum transfer, energy and species concentrations
the authors’ knowledge. Further, the effects of reactor temperature which are solved numerically under the steady-state and turbulent
on the gasifier height at different equivalence ratio as well as on flow condition with a set of finite rate reaction kinetics (ANSYS,
the synthesis gas production are investigated in this study. 15317, 2013).
U. Kumar, M.C. Paul / Chemical Engineering Science 195 (2019) 413–422 415
@ @ lt @ e e e2
ðqeui Þ ¼ lþ þ C 1e ðGk þ C 3e Gb Þ C 2e q þ Se
@xi @xj re @xj k k
ð5Þ
Model parameters used are C1e = 1.44; C2e = 1.92; rk = 1.0;
re = 1.3 (ANSYS, 15317, 2013).
The species transport equation is described as
@ ! !
ðqY i Þ þ r q u Y i ¼ r J i þ Ri þ Si ð6Þ
@t
The diffusion flux for turbulent flow is given in the following form.
! lt rT
J i ¼ qDi;m þ rY i DT;i ð7Þ
Sct T
lt
Sct ¼ ð8Þ
qDt
In addition, the flow of biomass particles is modelled by a
Lagrangian approach namely discrete phase model (DPM). The
model considers the trajectory of a particle through the continuous
phase of fluid, while their interaction is accounted by considering
the heat and mass losses of the particles as the source term in
the governing equations. The trajectory of a discrete phase particle
is written in a Lagrangian reference frame by integrating the force
balance on the particle. This force balance equates the particle
inertia with the forces acting on the particle as described below:
Force balance:
!
!
@ up g qp q
! !
¼ FD u u p þ ð9Þ
@t qp
! !
where F D u u p is the drag force per unit particle mass and
18l C D Re
FD ¼ ð10Þ
24qp dp
2
Table 1
Chemical reactions used in the oxidation and reduction zones.
triggers a number of physical and chemical reactions. The thermo- erning equations in association with the boundary conditions
chemical reactions for the oxidation and reduction zones of the described in the section above (ANSYS FLUENT v15 (ANSYS,
gasifier used in the kinetic model are given in Table 1. However, 15317, 2013). In this coupled scheme, the spatial discretization
the volatile, char and ash composition released from the biomass pressure was solved by a method called PRESTO with a second
decomposition are expressed by the following equation. order upwind scheme for the momentum equations. While, the
first order upwind scheme was used to solve the convection and
Biomass ! Volatile þ char þ ash þ tar ð16Þ
diffusion fluxes. For getting the stable solutions, the relaxation fac-
tors have been adjusted and the residuals for all the variables con-
Volatile ! X 1 CO þ X 2 H2 þ X 3 CO2 þ X 4 CH4 þ X 5 H2 O ð17Þ
verged to 103 but for the energy and radiation equations to 106.
X Biomass particles enter the computational domain through the
Xi ¼ 1 ð18Þ mass inlet boundary condition and the total number of particles
i
tracked depends on the number of tries under the turbulent disper-
The volatile break-up approach developed methodology shown sion (ANSYS, 15317, 2013). In this model, the number of tries value
in Fig. 2. This methodology assumes that the volatile releasing from was set as 10 while the number of continuous phase iterations per
biomass consists of carbon, oxygen, hydrogen, sulphur and nitro- DPM iteration set as 40. The particles were tracked cell by cell
gen. Which are initially converted to a pseudo gas phase species, through the volume and subjected to the devolatilization, gasifica-
referred to as volatile, using the devolatilization model. tion and exchange of heat and mass with the gas phase.
The gas phase volatile break-up reaction (17) was added to con-
vert this gaseous volatile to several other gas phase species. The
stoichiometric coefficients (X1, X2, X3, X4 and X5) for the resultant 4. Results and discussion
species were calculated from the obtained mass fractions and
molecular weights of these species (Janajreh and Shrah, 2013; Initially a CFD model is established according to the above sim-
Nakod, 2013). ulation setup. The developed CFD model has been validated with
Using the current approach, a subroutine script was written in C the kinetic model developed in (Paul and Salem, 2016; Salem
++ to automatically calculate the stoichiometric coefficients of the and Paul, 2018) as well as with the experiment results in (Jayah
volatile break-up reaction which were then integrated with the et al., 2003). Kinetic case study is then carried out to improve the
gasification simulation performed on ANSYS FLUENT v15 (ANSYS, prediction capability of the biomass gasification process. Further,
15317, 2013). this study is emphasised on the effect of operating variables such
as the gasifier temperature and equivalence ratio on the gas com-
3.2. Boundary conditions position (CO, CH4, CO2, H2, N2) sampled at the outlet. Furthermore,
the gas species distribution within the gasifier and the effect of dif-
The first feedstock examined is rubber wood and the boundary ferent Scottish agricultural feedstocks on the synthesis gas compo-
conditions for the simulation set up are taken from the kinetic sition are also studied.
model (Paul and Salem, 2016; Salem and Paul, 2018). Namely,
the mass flow rate of rubber wood is 3.65 kg/h. The initial temper-
4.1. Grid independence test
ature of rubber wood and air are at 300 K and 600 K respectively.
Air is supplied from the four nozzles located at the middle of the
A grid dependency test on the simulated results has been car-
gasifier. Each air nozzle diameter is considered to be 0.823 cm.
ried out by considering three different computational grid cells of
The boundary condition at the gasifier outlet adopts the pressure
29,420, 58,727 and 118,204 respectively. A negligible difference
outlet thus giving the zero gauge pressure. The air mass flow rate
is observed between the results obtained by 58,727 and 118,204
is varied from 3.75 kg/h to 6.90 kg/h to control the air equivalence
as shown in Fig. 3. Hence, the grid of 58,727 is chosen for all the
ratio from 0.35 to 0.60. The ultimate and proximate analyses data
simulation cases presented in the following sections.
of rubber wood are given in Table 2.
Simulations of the conservation equations of two phases have Fig. 4 depicts the synthesis gas composition obtained from the
been carried out using an implicit finite volume method. A experiment (Jayah et al., 2003), kinetic and CFD models. The chem-
pressure-velocity coupling algorithm was used to solve these gov- ical kinetics used in the CFD model are same as those used in the
U. Kumar, M.C. Paul / Chemical Engineering Science 195 (2019) 413–422 417
kinetic model (Paul and Salem, 2016; Salem and Paul, 2018). These In the literature different chemical kinetics are available for dif-
kinetics are shown in Table 1. ferent reactions, it is therefore crucially important to investigate
A close examination in Fig. 4 confirms that there is a discrep- the suitable set of chemical kinetics that better aid the develop-
ancy in predicting the compositions of CO and H2 between the ment of CFD model with a much improved predicted accuracy.
two models. For instance, in the CFD model, the production of CO
and H2 are less compared to those of the kinetic model and exper-
iment, though the same set of chemical reactions were used in
both the modelling approaches. The level of predicted discrepancy
is understood due to the fact that the kinetic model assumed an
equilibrium approach particularly for the oxidation zone, while
the CFD model is fully non-equilibrium which required a detailed
specification of all the chemical reactions and species transports
involved in the model.
Table 2
Characterization of rubber wood (Jayah et al., 2003).
Ultimate analysis (wt% dry basis) Proximate analysis (wt % dry basis)
C 50.6 Volatile matter 81.1
H 6.5 Fixed carbon 19.2
O 42 Ash 0.7
N 0.2 Moisture content (wt % wet basis) 18.5
S0 Higher heating value (kJ/kg) 20,540
Fig. 3. Gas composition at the gasifier outlet for different mesh sizes.
418 U. Kumar, M.C. Paul / Chemical Engineering Science 195 (2019) 413–422
Fig. 4. Synthesis gas composition comparison (dry basis). Fig. 5. Comparison between the CFD, revised CFD and kinetic model predicted
results.
The revised chemical kinetics examined are shown in Table 3. The
key differences between the kinetic model and the revised chemi- However, a significant drop in the temperature is examine in
cal kinetics used in the CFD model are mainly with the values of the pyrolysis zone. Drying and pyrolysis zone are taking heat from
the frequency factor and activation energy. Temperature exponent the oxidation zone. Therefore, process is linked with the endother-
in the heterogeneous reactions is also included in the revised reac- mic drying, pyrolysis zone, and exothermic oxidation zone. In the
tions. In addition, water shift gas reaction is included, and these oxidation zone temperature increased and eventually becomes
revised chemical kinetics are used to further investigate the gasifi- the highest due to the exothermic reactions occurring in this zone.
cation processes through the CFD model. In the reduction zone, mainly the endothermic reactions occur and,
Fig. 5 depicts the comparison of the simulated outlet composi- due to this, the temperature in the reduction zone drops.
tion of gases (CO, CO2, H2, CH4, and N2) with those obtained by the In the gasification of biomass, equivalence ratio is one of the
experiment and kinetic model (Jayah et al., 2003; Paul and Salem, most important parameter used to predict the process perfor-
2016; Salem and Paul, 2018), the first CFD and revised CFD models. mance and design of the gasifier. As seen in Fig. 7, the quality of
These plots reveal that the simulated values of the outlet gas com- gas obtained from the gasifier depends on the ER value. However,
position derived by the revised CFD model compare extremely well a relatively low value of the equivalence ratio may result in many
with those of the kinetic model prediction and experimental data. problems, e.g. it may lead to a low heating value of gases produced
Hence, the new CFD modelling approach with the volatile break up with an excessive amount of char formation thus further resulting
is proved to be reliable. in an incomplete gasification. On the other side, a too large value of
equivalence ratio may result in an excessive formation of products
4.3. Effect of equivalence ratio through a complete combustion process. A close examination in
Fig. 7 further shows that methane mole fraction decreases with
Fig. 6 illustrates the temperature profile along the gasifier the equivalence ratio increases. However, in other side the mole
height in downdraft gasifier simulated at different equivalence fraction of carbon dioxide increases with the equivalence ratio
ratio (ER) changing from 0.35 to 0.60. As seen in both figures, when due to combustion while mole fraction of both carbon monoxide
the value of ER increases, the oxidation temperature increases due and hydrogen decreases with increases with the equivalence ratio.
to an increase in oxygen concentration in to the oxidation zone due
to that char combustion and volatile combustion reactions (all are
exothermic reactions) are triggered and result of that temperature 4.4. Gas species distribution
increases. This is also prove from the contour plots of temperature
at the various ER ratio. The predicted temperature was in good Fig. 8 depicts the mole fraction distributions of the product
agreement with that of the previously published results in the gases formed within the downdraft gasifier during gasification at
literature. ER = 0.35. When the biomass fuel enters in the gasifier the volatile
Table 3
Revised reactions used in the oxidation and reduction zones.
Fig. 6. Gasifier temperature contour and (b) profiles at different ER along the height of gasifier.
CO H2
CO2 CH4
N2
Fig. 8. Contour plots of different gas compositions (ER = 0.35).
1. The highest concentration of carbon monoxide at the gasifier 2. The hydrogen mole fraction is highest for rubber wood and bar-
outlet observed for the barley screenings and rubber wood ley screenings but comparatively, it is low for barley dust and
and followed by barley dust and wood chips. wood chips.
U. Kumar, M.C. Paul / Chemical Engineering Science 195 (2019) 413–422 421
Fig. 12. Comparison between the outlet gas compositions for different biomass
Fig. 9. Volatile decomposition concentration profile along with the gasifier height feedstocks at ER = 0.35.
at ER = 0.35.
The above facts are due to the variation in the ultimate and
proximate analysis for the different biomass feedstocks. For exam-
ple, rubber wood sawdust contains heights volatile matter and H
contents than the barley dust and wood chips. Due to that the
release of volatile gases is predicted to be more and therefore,
resulting in the formation of more carbon monoxide and hydrogen
compared to those of the barley dust and wood chips.
5. Conclusions
Acknowledgement
Fig. 11. Rate of reaction profile for reduction zone reactions along with gasifier References
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