Research Journal of Chemical Engineering and Processing

Vol. 1(1), pp. 002-007, December, 2019. © www.premierpublishers.org, ISSN: 2257-1869

Research Article

Simulation of Flash Pyrolysis of Maiganga Coal Using

Modified Straight First Order Reaction Model
1Ali
L. Yaumi, *2Habu I. Mohammed, 3Alhaji S. Grema, 4Abubakar M. El-Jummah, 5Murtala M.
Ahmed
1,2,3,5Department of Chemical Engineering, University of Maiduguri, Nigeria
4Department of Mechanical Engineering, University of Maiduguri, Nigeria

Maiganga coal is a coal deposit discovered some years back in Maiganga village, Gombe State,
Nigeria; the coal is yet to be exploited. The paper presents simulation of destructive distillation
of the coal. The coal and kinetics data were collected from literature. The straight first order
reaction, (SFOR) model was modified to accommodate the effects of pyrolysis reactor power. The
straight first order reaction model was coded in Microsoft excel. The kinetics and coal data
collected were used to simulate the destructive distillation of the coal. Effects of temperature,
heat rate, and residence time were investigated on the volatile matters yield. The outcome of the
simulation shows that 550 to 650 oC is the range of temperature at which more volatile matter is
generated. Between this ranges of temperature, more than 90% of volatile matters are generated
at residence time of 2 hours. Heat rate was found to affect volatile matters yield. The maximum
vapour generation was obtained between 50 to 100 oC/min.

Key words: coal, simulation, heating rate, volatile matters, kinetics model, residence time

List of Symbols
𝛼–heating rate, oC/min
𝑇 – temperature, oC
𝑃 −heating element power, W
𝐸 − activation energy, J/mol.K
𝐸– activation energy, J mol–1
Wo–initial coal weight, kg
R – gas constant, J mol–1 K–1
M – mass of coal involved in the pyrolysis, kg
𝑘𝑖𝑜 − is the pre-experimental factor
𝑘𝑖 − reaction rate constant
𝑊𝑣 − weight of volatile precursors in a given sample of coal, kg

INTRODUCTION

Coal distillation is the process of fractionating coal into valuable resources derived from coal distillation and are
group of chemical components by heating at high important chemicals needed by industries such as paint,
temperature under inert condition. The products of
distillation are important raw materials in fertilizer, paints, *Corresponding Author: Habu I. Mohammed; Department
detergent, iron and steel refining industries (Zhang, 2008). of Chemical Engineering, University of Maiduguri, Nigeria.
Nigeria coal reserve has been estimated to stand at 2.7 Email: mohammedhabu@unimaid.edu.ng
billion tonnes (Oyedepo, 2012). These valuable and vast Co-Author 1Email: aliyaumi@unimaid.edu.ng;
3
resources are left unexploited. The major source of coke Email: a.grema@unimaid.edu.ng;
4
for iron and steel refining is coal. Aromatic hydrocarbons Email: al-jummah@hotmail.com;
5
such as toluene, benzene, naphthalene, turpentine are Email: mmahmed@ unimaid.edu.ng

Simulation of Flash Pyrolysis of Maiganga Coal Using Modified Straight First Order Reaction Model
Yaumi et al. 003
detergent, and fertilizer (Adekola et al., 2012). Chemical
analysis of coals of Nigeria origin has been conducted and
reported by many authors (Adeleke et al., 2012; Adekola
et al., 2012; Onoduku 2014), and has been predictively
evaluated. Coal contains carbon and also volatile that
takes most of its hydrogen. While coal is used to produce
energy such as heat and power without differing the values
of hydrogen-rich volatile and carbon, it is also used to
produce various hydrogen rich chemicals such as
aromatics, ammonium, methanol and motor fuels. Coal
distillation is carried out at low temperature or high
temperature. Low temperature operation is used to
produce liquid products while high temperature
carbonization is used to produce gaseous products (Kern
et al., 2012). When coal is heated out of air, complex
compounds of carbon undergo decomposition to form
such substances as benzene, toluene, naphthalene,
anthracene, and phenols (Chukwu, et al., 2012). These
pass off as a vapor and are condensed into a liquid called
coal tar by cooling. Because the boiling point of carbon is
extremely high, the carbon that is present in coal, or that is
formed by decomposition is left as a residue, (coke) (Jauro
& Chukwu, 2011). Low temperature fractionations are
conducted at temperature range between 400 to 750 oC ,
while high temperature distillation is carried out at
temperature of above 900 oC (Jauro & Chukwu, 2011). In
low temperature carbonization quantity of gaseous product
is less, while liquid products are large, whereas in high
temperature carbonization, the yield of gaseous product is
more than the yield of liquid products with production of tar
relatively low (Kern et al., 2012). The hihg yield of gaseous
can be attributed to cracking of longer chain organic
compounds at very high temperature. The number of
volatile products and their composition depends on coal
type, particle size, and the conditions prevailing in the
apparatus. Higher yield of tar and benzene, toluene,
xylene, BTX is obtainable by using medium rank
bituminous coal heated at higher heating rate in the
hydrogen-rich atmosphere (Redenovic, 2006). High yields
of phenol, xylene, PX and oxides are obtained from low-
rank coal in the hydrogen-poor atmosphere (Nyakuma,
2012). The major changes that take place in the reactor
were presented by (Radenovic, 2006).
The simulation of decomposition of coal has been
presented by many authors (Heydari, Rahman, & Gupta,
2015; Lohmann, 2016). Miccio (2015) studied the use of
Aspen Plus to simulate lignocellulosic biomass pyrolysis
via equilibrium and ranking of the main process variables,
the gaseous products includes H2, CO, CO2, CH4 and H2O,
however, Aspen code could not predict the composition of
the liquid residue (tar). The comparison of gaseous
composition of the predicted and experimental data shows
far discrepancies in all the cases. Another setback in this
model is lack of history of temperature and residence time
at which equilibrium was achieved. Lestinsky (2016)
studied the modelling of coal pyrolysis using Aspen Plus,
it was reported that modelling through the decomposition
and subsequent formation of gas based on the
Simulation of Flash Pyrolysis of Maiganga Coal Using Modified Straight First Order Reaction Model
thermodynamics equilibrium is not appropriate for
modeling of pyrolysis process. It was found that there is a
great difference between the experimental values and the
predicted values. This difference might be due to
assumption made in the presentation of coal composition.
Iribarren & Dufour (2015) suggested that pyrolysis model
must contain a chemical reaction of individual
carbonaceous materials such as coal and woods
compounds which is highly dependent on temperature and
chemical composition of ash (catalytic effect). One of the
pyrolysis products is liquid condensate, which contains
hundred organic compounds (phenol, cresols, organic
acids, etc.), and creating these products is impossible
without knowledge of chemical reactions kinetics model.
For instance, the input for coal pyrolysis modeling in Aspen
Plus is taking as mixture of benzene, H2, CO, CO2 etc.,
which do not consider the energy required in breaking
bonds that leads to formation of the products. Kinetic data
obtained experimentally will be more accurate in predicting
the weight loss and yields of products.
Kinetics models for coal pyrolysis has been presented by
(Paea & Mcguinness, 2018), these are straight first order
reaction, SFOR models, equation (1), distributed activation
energy model, DAEM, equation (2).
𝑑𝑊𝑣
− = 𝑘𝑖 𝑊𝑣 (1)
𝑑𝑡
∗ ∗
𝑑𝑉 = 𝑉 𝑓(𝐸)𝑑𝐸 (2)
Where 𝑊𝑣 is the weight of volatile precursors in a given
sample of coal of initial weight Wo, 𝑊𝑣∗ is the initial value of
𝑊𝑣, which is also the ultimate yield of volatiles,or the
ultimate weight loss, 𝑘𝑖 reaction rate constant, 𝑉 ∗ has
same definition as 𝑊𝑣 and 𝐸 is the activation energy.
The SFOR model is based on assumption that for every
species in the products, the activation energy is constant
and the reaction is first order. The DAEM assumed that
activation energy varies as the reaction progresses. The
DAEM assumes that coal comprises plethora of
constituents and these components have different
activation energies whose reactions are all irreversible and
independent of the reactions in other components
(Carangello et al, 2016). The volatile components are
formed when the temperature attains a certain value.
Hydrae et al. (2015) reported that the activation energy of
pyrolysis of coal rises from about 130 kJ/mol, at low
conversion up to 350 kJ/mol, at 75% conversion, and it
subsequently drops to about 300 kJ/moll towards the end
of reaction. The initial activation energy value was low due
to cleavage of some weak bonds and elimination of volatile
components from the coal matrix, because at the
beginning of the process all the strong bonds are not
cleaved. The experimental work by (Solomon & Serio,
1993)indicates that the variation is due to differences in
bond strength of same species of substituent in different
compounds with in the matrix of coal. He classified the
bonds as loose and tight bonds and quantitatively
presented Ahrenius constant for each species. The kinetic
parameters obtained in this may be more accurate in
 Res. J. Chem. Eng. Process. 004

predicting coal pyrolysis. The advantages of the DAEM is The significant temperature to consider is 300 oC and
that it gives a good agreement with the real process above. Leśniak et al., (2013) presented equation (4) as
(Arenillas et al., 2016), and it can be used for any heating model for predicting Cp for coal between 300 to 1000 oC.
rate used during pyrolysis in the same device. The kinetics
parameters for formation of various possible products for 𝐶𝑝 = −0.218 + 3.807𝑥10−3 𝑇 + 1.758𝑥10−6 𝑇 2
coal pyrolysis has been previously presented by
(Carangelo et al., 2016), these parameters would be found Assuming perfect insulation, the energy balance on the
useful in simulation of coal pyrolysis. The study is aim at pyrolyser gives equation (3)
simulation of destructive distillation of Maiganga coal, and 𝑑𝑇 𝑃
the objectives are to: 𝛼= =( ) (3𝑎)
𝑑𝑡 𝑀 ∗ 𝐶𝑝
i. Collect coal pyrolysis kinetic data from literature; The furnace considered in this simulation has power of
ii. Code the SFOR model in spreadsheet; 5000 W,
iii. Simulation of destructive distillation of coal 𝑑𝑇
considering the effect of temperature, heat rate, and 𝛼=
𝑑𝑡
residence time on vapour generation. 𝑃
=( ) (3𝑏)
𝑀 ∗ (−0.218 + 3.807𝑥10−3 𝑇 + 1.758𝑥10−6 𝑇 2 )
METHODOLOGY

Kinetic and Maiganga Coal Data Combination of equation 1 to 3 gives equation (4)
𝑑𝑊𝑣 −𝐸
− = 𝑘𝑖𝑜 exp ( ) ∗ 𝑊𝑣 (4𝑎)
Some of the data collected for the simulation of destructive 𝑑𝑡 (𝑇
𝑅 ∗ 𝑜 + 𝛼𝑡)
distillation of Maiganga coal is presented in Table 2.1. The
data include average pre-experimental factor, activation Equation (4a) can be presented in term of temperature as:
energy, Maiganaga coal volatile matters. The specific heat 𝑑𝑊𝑣 𝑘𝑖𝑜 𝐸 𝑘𝑖𝑜 𝑅𝑇 2 𝐸
capacity of coal varies with temperature and has been = 𝑊𝑜 𝑒𝑥𝑝 (− − 𝑒𝑥𝑝 (− )) (4𝑏)
𝑑𝑇 𝛼 𝑅𝑇 𝛼 𝐸 𝑅𝑇
taken care of in the computation.
Where 𝐶𝑝 𝑖𝑠 the specific heat capacity of coal, P is is the
Table 1: Low Ranking Coal Kinetic Data heater power, 𝛼 is the heating rate, M is the mass of coal
to be pyrolysed, 𝑘𝑖𝑜 is the pre-experimental factor, R is the
Parameters Value Source
gas constant, 𝐸 is the activation energy, t is the residence
Average Pre-experimental factor 3200 s-1 (Carangelo
time of the coal sample in reactor, 𝑇𝑜 is the initial
(between 300 to 1300 oC) et al., 2016)
temperature of the reactor.
Average Activation energy 50,000 (Carangelo
.
(between 300 to 1300 oC) J/mol et al., 2016)
Equation (4) is a modified form of SFOR model that
Maiganga coal volatile Matter 51.16% (Nyakuma,
inculcate quantity of coal to be pyrolysed, reactor heater
2012)
power, and thermal properties of coal. The challenges in
simulating equation (4) are activation energy for
Model Setup decomposition of individual species involved, the number
of components present at start of pyrolysis, and the overall
The studies involved presentation of straight first order, average activation energy for decomposition of the coal.
SFOR, models along with initial conditions, and simulation The integral form of equation (4) is presented by
of the models to predict decomposition of coal species. (Redenovic, 2006).
The mathematical model for decomposition of coal was −𝐸
coded in spreadsheet. The coal properties and kinetic data 𝑊𝑣 = 𝑊∗ (1 − 𝑒𝑥𝑝 [𝑡𝐴𝑒𝑥𝑝 ( )]) (5)
𝑅𝑇
for decompositions of all functional group were obtained
from Heydari et al., and were used in the simulation of the Simulation of Coal Pyrolysis
pyrolysis of the coal. The SFOR model predicts the vapour
generation from emission of volatile matters. In this study The simulation was carried out in two phases, the use of
SFOR was modified to account for mass and individual activation for decomposition of the functional
thermodynamics properties of the coal. groups and the use of average activation energy for overall
𝑑𝑊𝑣𝑖
− = 𝑘𝑖 𝑊𝑣𝑖 (1) weight loss. Microsoft excel code was setup using explicit
𝑑𝑡 Runge-Kutta method for solving equation (4), with initial
𝑊𝑣 (0) = 𝑊𝑜 conditions stated, all the kinetic data, activation energy
−𝐸
𝑘𝑖 = 𝑘𝑖𝑜 exp ( ) (2) and pre experimental factor were obtained from
𝑅𝑇 Carangelo, 2016). Nigerian coal data were obtained from
𝑇(𝑡) = 𝑇𝑜 + 𝛼𝑡 (Nyakuma, 2012). Effects of temperature and heating
The temperature at which coal commence to reacts was rate, on vapour yield were studied.
reported to be above 300 oC (Du, Wu, Yuan, Xu, & Chao,
2016).

Simulation of Flash Pyrolysis of Maiganga Coal Using Modified Straight First Order Reaction Model
Yaumi et al. 005

Results and Discussion
The temperature ramps with time as shown Figure 1, heat
rate to coal appears to fall even as the temperature of the
system rises. This might be due to poor thermal
conduction nature of vapour generated in the process. It
can be further explained from thermodynamics properties
of coal that at high temperatures operation, secondary
reactions (cracking, polymerization, combination) occurs
which are mostly endothermic, this leads to absorption of
heat without significant rise in temperature.
1400
1200
1000
800
600
400
200
The insignificant yield was attributed to fact that the
temperature is not high enough to break the bonds. As the
temperature rises, the change in volume of vapour with
temperature increases. The maximum vapour generation
was observed between 550 to 600 oC. The maximum yield
at around 600 oC, shows that most bonds got broken at
around this temperature. As the temperature continues to
rise, the vapour yield falls, this indicates that most of the
bonds from which volatiles matters were obtained were
broken around 600 oC.
Effects of Heating Rate on Vapour Generation
The effects of heat rate, alpha on the vapour generation is
presented in Figure 3. The vapour generation increases
with increase in heat rate up to 100 oC/min, the sharp fall
was however observed as the heating rate is increased
T (deg celcius) beyond 100 oC/min. Similar trend was observed in Shenfu
coal (Yang & Wang, 2014).
Alpha 2.00E-04

vapour Generation
deg/min
0

Rate (kg/oC)
1.00E-04
0 2 4 6
Time (min) x60 0.00E+00
0 20 40 60
Figure 1: Plot of Furnace Temperature and Heating rate x10
to Coal in the Furnace against Time
Heating rate (oC/min)
Heydari et al. (2016) reported that most pyrolysis reactions
above 600 oC are endothermic in nature. This might be the Figure 3: Plot of Vapour Generation Rate against Heating
reasons for heat absorption without significant rise in Rate
temperature of the coal. Leśniak et al. (2013) reported that
specific heat capacity of increases with increase in The sharp fall could be attributed to secondary reactions
temperature. It is therefore expected that as the (combination and polymerization) that might have
temperature ramps, the heat absorbed decreases. consumed the vapour generated due to high heating rate.
The maximum heat rate that gives good vapour yield is
Effects of Temperature on Vapour Generation observed around 50 to 100 oC/min.
Effect of Residence Time on Volatiles Matter Yield
The rate at which the volatile matter generates from the
reactor during pyrolysis is presented in Figure 2. At The effect of residence time on obtainable volatile matters
temperature range between 0 to 200 oC, there is very little at 600 oC is presented in Fig. 3.4. During ramp time there
vapour generation. The trend had been observed was no significant vapour generation, as the temperature
experimentally on pyrolysing low rank coal by many stabilizes at 600 oC, vapour generation was observed to
authors (Nie at al., 2017; Ying et al., 2013) rise significantly.
120
Volatile matters Yield (%)

2.00E-04 100
generation Rate,
Volatile matter

1.50E-04 80
(kg/oC)

1.00E-04 60
5.00E-05 40
20
0.00E+00
0 500 1000 1500 0
Temperature (oC) 0 1 2 3 4 5
Residence time (min)
(x6
Figure 2: Plot of Vapour Generation Rate against
Temperature Figure 4: Plot of volatile matters Yield against Residence
time at 600 oC

Simulation of Flash Pyrolysis of Maiganga Coal Using Modified Straight First Order Reaction Model

At residence time of one hour it is observed that the yield
of the vapour was around 80%. The maximum amount of
vapour generated was observed at two hours residence
time. This trend was observed by (Brown, 2009) on
pyrolysis of low rank coal. Beyond two hours, no significant
increase in the amount of vapour yield. This shows that the
residence time of two hours is sufficient to break most of
bonds that to generate vapours.
CONCLUSION
Simulation of distructive distillation of coal has been
performed using straight first order reaction. Effects of
temperature, heat rate, ant residence time on vapour
generation and volatile matter recovery has been studied.
The findings lead to the following conclusion:
▪ Vapour generation increases with increase in
temperature up to 600 oC, beyond this point, vapour
generation decreases with temperature.
▪ The maximum vapour generation occurs between
heat rate of 50 to 100 oC/min.
▪ The residence time of two hours set at 600 oC is
sufficient to liberate more than 90% of the volatile
maters in the coal.
ACKNOWLEDGEMENT
The authors acknowledge the sponsorship of Nigeria
Tertiary Education Trust Fund (TETFund) Under
Institution Base Research (IBR) Programme.
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Yaumi et al. 007

Accepted 28 November 2019

Citation: Yaumi AL, Mohammed HI, Grema AS, El-

Jummah AM, Ahmed MM (2019). Simulation of Flash
Pyrolysis of Maiganga Coal Using Modified Straight First
Order Reaction Model. Research Journal of Chemical
Engineering and Processing, 1(1): 002-007.

Copyright: © 2019: Yaumi et al. This is an open-access

article distributed under the terms of the Creative
Commons Attribution License, which permits unrestricted
use, distribution, and reproduction in any medium,
provided the original author and source are cited.

Simulation of Flash Pyrolysis of Maiganga Coal Using Modified Straight First Order Reaction Model