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PAPER INFO
A B S T R A C T
Paper history:
Energy and exergy concepts come from thermodynamics laws and are applicable to all fields of science
and engineering. This study considers numerical simulations of combustion of hydrogen with air in a
constant pressure environment and exergy terms according to first and second laws analysis using
homemade code. Chemical kinetic model includes 20 reactions and 9 species. At the first stage of
present study, the effects of airl-fuel ratio () on energy and exergy terms are investigated for different
(from 06 to 14) at constant temperature 1000 (K). The predictions show that the increase of from
06 to 1 increases average temperature, thermo-mechanical and chemical exergys and ireversibilty,
while increase of from 1 to 1.4 decreases them, except for chemical and total exergys. Also secondlaw efficiency increases with increasing of . At the second stage, at =1.4, in which the second-law
efficiency is maximum, initial temperature of mixture (T ) is varied from1000 to 1400 (K) by 100 (K)
step. The predictions show that increase of T from 1000 to 1100 (K) increases average temperature,
thermomechanical, total exergy and irreversibility while decreases the chemical exergy and second-law
efficiency. Also, the increase of T from 1100 to 1400 (K) increases the thermo-mechanical, chemical
total exergys and second-law efficiency, while irreversibility decreases. It was found that second-law
efficiency reaches a maximum value in the case of higher airl-fuel ratio and initial temperature.
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Keywords:
Air-fuel Ratio
Combustion
Exergy
Energy
Irreversibility
Chemical Kinetics
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doi: 10.5829/idosi.ije.2012.25.03c.08
NOMENCLATURE
B
Cp
R
R
S
E
G
Ex
t
A
P
g
T
U
V
x
kk
I
c
r
constant coefficient
specific heat at constant pressure
universal gas constant
reaction rate
entropy
activation energy
Gibbs function
exergy
time
constant coefficient or pre-exponential factor
pressure
molar specific Gibbs function
temperature
internal energy
volume
concentration of species
number of species
irreversibility
Greek Letters
chemical potential
density
Subscript
i
j
f
f
work
destroyed
0
gen
ch
tm
heat
ox
diff
red
II
relating to species i
relating to reaction step j
relating to fuel
relating to backward reaction
associated with work transfer
associated with work destruction
dead state, or environment state
relation to generation
relating to chemical
relating to thermomechanical
relating to heat
relating to oxidation
relating to diffusion
relating to reduction
relating to second law
Superscript
0
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S. Jafarmadar / IJE TRANSACTIONS C: Aspects Vol. 25, No. 3, (September 2012) 239-247
1. INTRODUCTION
In view of the decreasing energy sources, optimization
of thermal processes has initiated vigorous research
worldwide. In order to analyze combustion
performance, second-law analysis can be a useful
alternative for first-law, being able to shed more light
and provide better insight into the combustion
processes. For the second-law analysis, the key concept
is exergy; exergy is a special case of the more
fundamental concept, available energy, introduced by
Gibbs [1].The exergy content of a process represents its
potential to do useful work, thus, a quantitative measure
of the quality or usefulness of the process. Unlike
energy, exergy can be destroyed as a result of
phenomena shuch as combustion, friction, mixing or
throttling. Details about the relevant relationships can be
found in some articles [25]. From the second-law
analysis point of view, hydrogen combustion was found
qualitatively different from the combustion of
hydrocarbon fuels since hydrogen oxidation is the
combination of two simple diatomic molecules, which
yields a triatomic one with significantly larger structure
than any of the reactants. For this reason, a monotonic
decrease in combustion irreversibilities with increasing
hydrogen component was calculated for the combustion
of CH4-H2 mixtures burning in an engine cylinder; this
decrease in combustion irreversibilities translates also
into an increase in second-law efficiency [6].
Dunbar and Lior [7] studied the irreversibility of
constant pressure combustion in an adiabatic chamber
with hydrogen and methane as fuels. They showed that
the major cause of irreversibility during the combustion
was due to the internal thermal energy exchange
process. Cohce et al. [8] presented a novel biomassbased hydrogen production plant. The system used oil
palm shell as a feedstock. The plant, with modifications,
was simulated and analyzed thermodynamically using
the Aspen Plus process simulation code. Exergy
analysis was used throughout the investigation, in
addition to energy analysis. The overall performance of
the system was evaluated, and its efficiencies were 19%
for exergy efficiency and 22% for energy efficiency
while the gasifier cold gas efficiency was 18%.
Nieminen and Dincer [9] carried out the comparative
exergy analysis of gasoline and hydrogen fuelled
internal combustion engines (ICE). Their numerical
results showed that the hydrogen fuelled engine had a
greater proportion of its chemical exergy converted into
work exergy, indicating higher second-law efficiency
than the gasoline fuelled engine due to significantly
lower irreversibilities and lower specific fuel
consumption associated with a hydrogen fuelled ICE.
Fathi et al. [10] studied the influence of initial charge
temperature under various injection timings on the
second-law terms in a direct injection SI engine fuelled
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2. MODEL DESCRIPTION
In this research a single-zone analytical transient
chemical kinetic model is employed to investigate
combustion characteristics of mixture gaseous fuel and
air.
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S. Jafarmadar / IJE TRANSACTIONS C: Aspects Vol. 25, No. 3, (September 2012) 239-247
(1) H2+O2=2OH,
(2) OH+H2=H2O+H,
(3) O+OH=O2+H,
(4) O+H2=OH+H,
(5) H+O2+M=HO2+M, H2O/18.6/H2/2.86/N2/1.26/,
(6) OH+HO2=H2O+O2
(7) H+HO2=2OH,
(8) O+HO2=O2+OH,
(9) 2OH=O+H2O,
(10) H+H+M=H2+MH2O/0.0/H2/0.0/H2O/0.0/H2/0.0/,
(11) H+H+H2=H2+H2,
(12) H+H+H2O=H2+H2O,
(13) H+OH+M=H2O+M,H2O/5/,
(14) H+O+M=OH+M, H2O/5/,
(15) O+O+M=O2+M,
(16) H+HO2=H2+O2,
(17) HO2+HO2=H2O2+O2,
(18) H2O2+M=OH+OH+M,
(19) H2O2+H=HO2+H2,
(20) H2O2+OH=H2O+HO2.
R =k
A ,j=1,2
(1)
k = A T exp
j=1
(4)
(5)
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(R R ), i = 1, , k
(6)
2. 1. First-Law Analysis
For the reaction scheme,
the intermediate reaction steps may be represented as
follows [13]:
(3)
c
r
j=1
(2)
(7)
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v
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(x
=k
(x )
=(u-u )+ P (v v )- T (s s )
= x ( ) = T R x ln
(9)
(10)
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S. Jafarmadar / IJE TRANSACTIONS C: Aspects Vol. 25, No. 3, (September 2012) 239-247
(11)
= Ex
Ex
Ex
+ Ex
=u+ P v- T s x ( )
(12)
Ex
(13)
with Ex
, Ex
showing the exergy transfer by
heat, work, and Ex
denoting exergy destruction
due to irreversibility and Ex
representing exergy
change of the system.
The destroyed exergy is proportional to the generated
entropy and is expressed as [11-12]:
Ex
= 0
(14)
u = RT(a 1 +
T+
s = R a ln(T) + a T +
Rlnx
T +
c
r
T +
T +
T +
T + )
T +a
(15)
(16)
= 1
(17)
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S. Jafarmadar / IJE TRANSACTIONS C: Aspects Vol. 25, No. 3, (September 2012) 239-247
remain unchanged. At air-fuel ratios 0.8 and 1 secondlaw efficiencies are the same because of equal
irreversibilties.
0.4
Chemical Exergy(Cal/Mole)
2.50E+04
0.3
=0.6
1.50E+04
=1.2
=1.2
0.05
=1.4
2.40E+04
0.00005
0.0001
0.00015
0.0002
0.00015
0.0002
0.00025
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2.20E+04
Total Exergy(Cal/Mole)
0.00025
Time (s)
2.00E+04
1.80E+04
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1.60E+04
1.40E+04
1.20E+04
=0.6
=0.8
=1
=1.2
=1.4
1.00E+04
2400
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2100
Temperature (K)
0.0001
5E-05
Time(s)
=0.6
1800
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=0.8
=1
1500
=1.2
1200
=1.4
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900
0
5E-05
0.0001
0.00015
0.0002
0.00025
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Time(s)
2.50E+03
10000
=1.4
2.25E+03
=0.8
2.20E+03
=1.4
2000
0.0002
=1.2
5.00E+02
=0.6
=1.2
4000
0.00015
=1
1.00E+03
5E-05
0.0001
0.00015
0.0002
0.00025
2.30E+03
6000
0.0001
=0.8
=1
5E-05
=0.6
1.50E+03
Time(s)
8000
2.00E+03
1.00E-01
0.00025
Time (s)
Ireversibilty(Cal/Mole)
Thermomichanical Exergy(Cal/Mole)
5E-05
Time (s)
=1
0.1
=1.4
0.00E+00
=0.8
0.15
=1
5.00E+03
0.25
0.2
=0.8
1.00E+04
=0.6
Ireversibilty(Cal/Mole)
Mole Fraction of H2
0.35
2.00E+04
2.15E+03
2.10E+03
2.05E+03
2.00E+03
1.95E+03
1.90E+03
0.6
0.8
1.2
1.4
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S. Jafarmadar / IJE TRANSACTIONS C: Aspects Vol. 25, No. 3, (September 2012) 239-247
0.92
0.9
0.88
0.86
0.84
0.6
0.8
1.2
1.4
Fuel-air Ratio
Mole Fraction of H2
0.3
T=1000(K)
T=1100(K)
0.2
T=1200(K)
0.15
T=1300(K)
0.1
T=1400(K)
5E-05
0.0001
0.00015
0.0002
0.00025
Time(s)
v
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3000
Temperature(K)
2700
T=1000(K)
2400
T=1100(K)
2100
c
r
T=1200(K)
1800
T=1300(K)
1500
T=1400(K)
1200
900
0
0.0001
A
0.0002
Time(s)
0.0003
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0.05
0
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0.35
0.25
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S. Jafarmadar / IJE TRANSACTIONS C: Aspects Vol. 25, No. 3, (September 2012) 239-247
1.70E+04
3.00E+03
T=1000(K)
1.45E+04
2.50E+03
1.20E+04
T=1200(K)
Irreversibilty (Cal/Mole)
T=1100(K)
T=1300(K)
9.50E+03
T=1400(K)
7.00E+03
4.50E+03
2.00E+03
1.50E+03
T=1000(K)
T=1100(K)
1.00E+03
T=1200(K)
T=1300(K)
5.00E+02
2.00E+03
T=1400(K)
0.00E+00
0.00005
0.0001
Time(s)
T=1000(K)
T=1100(K)
1.90E+04
T=1200(K)
T=1400(K)
1.50E+04
1.30E+04
iv
1.10E+04
9.00E+03
0.0001
0.00015
0.00025
0.0002
0.00025
h
c
Time(s)
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0.93
0.92
0.91
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T=1300(K)
1.70E+04
0.00005
0.0002
Chemical Exergy(Cal/Mole)
2.10E+04
0.00015
Time(s)
0.9
0.89
0.88
1000
1100
1200
1300
1400
r
A
2.70E+04
2.60E+04
2.50E+04
2.40E+04
T=1000(K)
T=1100(K)
2.30E+04
T=1200(K)
2.20E+04
T=1300(K)
T=1400(K)
2.10E+04
0
0.00005
0.0001
0.00015
0.0002
0.00025
Time(s)
4. CONCLUSION
The combustion of hydrogen with air in a constant
pressure environment was considered to numerically
determine the amount of energy and exergy terms and
second-law efficiency in a cylinder at different
conditions. The effects of various equivalence ratios at
constant initial temperature (1000 K) and various initial
temperatures at =1.4, on the energy, exergy terms and
second-law efficiency were investigated. Also, the
resulting irreversibly due to combustion process was
computed. The specific conclusions derived from this
study can be listed briefly as follows:
The increase of reduces the reaction rate levels
and causes that the start of combustion delayed. This
result is in good agreement with the corresponding data
in literature [16].
The increase of from 0.6 to 1 increases peak
temperature while the increase of from 1 to 1.4
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246
6.
7.
8.
9.
10. Fathi, V., Nemati, A., Khalilarya, S.H., and Jafarmadar, S., "The
effect of the initial charge temperature under various injection
timings on the second law terms in a direct injection SI
hydrogen engine", International Journal of Hydrogen Energy,
Vol. 36, No. 15, (2011), 1-8.
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11. Wu, Z., Zhou, S., and An, L., "The Second Law (Exergy)
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13. Kee, R., Rupley, F., Miller, J., Coltrin, M., Grcar, J., Meeks, E.,
Moffat, H., Lutz, A., Dixon-Lewis, G., and Smooke, M.,
CHEMKIN 4.0. San Diego: Reaction Design, Inc., San Diego,
CA, (2004).
5. REFERENCES
iv
1.
2.
3.
4.
5.
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16. Yapici, H., Basturk, G., Kayatas, N., and Albayrak, B.,
"Numerical study of effect of oxygen fraction on local entropy
generation in a methaneair burner", S-adhan-a Vol. 29, No. 6,
(2004), 641667.
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S. Jafarmadar / IJE TRANSACTIONS C: Aspects Vol. 25, No. 3, (September 2012) 239-247
247
PAPER INFO
.
. 20 9
. ) 0/6 (1/4
1000 . 0/6
1
1 1/4 .
. 1/4 1000
1400 100 .
1000 1100
. 1100 1400
.
.
Paper history:
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Keywords:
Air-fuel Ratio
Combustion
Exergy
Energy
Irreversibility
Chemical Kinetics
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doi: 10.5829/idosi.ije.2012.25.03c.08
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