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Engineering Applications of Computational Fluid Mechanics Vol. 8, No. 2, pp. 211228 (2014)
Dan F. Smith Department of Chemical Engineering, Lamar University, Beaumont, TX 77710, USA
^
Department of Mechanical Engineering, Lamar University, Beaumont, TX 77710, USA
*E-Mail: daniel.chen@lamar.edu (Corresponding Author)
ABSTRACT: In addition to CO2 and H2O, industrial flares may also release Volatile Organic Compounds
(VOCs), NOx, and CO among others. Since experimental measurements of these emissions are expensive, rigorous
computational fluid dynamics (CFD) simulations and the accrued correlations are viable tools to understand and
analyze factors affecting flare operations. In this paper, parametric studies of air and steam assisted ethylene flares
based on CFD modeling were employed to investigate important flare operating parameters such as vent gas
velocity, crosswind velocity, stoichiometric air ratio, steam-to-fuel ratio and heat content of the vent gas. The CFD
modeling utilized a 50-species reduced mechanism (LU 1.1) based on rigorous combustion chemistry. Validation
results of LU 1.1 are also presented. The destruction/removal efficiency and the combustion efficiency (DRE & CE)
were computed along with HRVOCs/VOCs/NOx emission rates to quantify the flare performance. Correlations
between DRE/CE and major parameters (crosswind, jet velocity, and combustion zone heating value) were
developed using the results obtained from the case studies. A modified combustion zone heating value definition was
proposed to compute a comprehensive heating value in the combustion zone.
Keywords:
1. INTRODUCTION
Flaring is widely used in the upstream energy,
refining, and chemical process industries to
relieve pressures, vent unwanted gases, and then
safely dispose them to the environment. This open
air combustion system oxidizes the fuel gases into
carbon dioxide and water vapor and hence avoids
the contamination of air with harmful gases that
cause air pollution and climate change. However,
complications arise due to the significant effects
on flare performance of a wide range of
parameters such as the fuel to air and fuel to
steam ratios (Castieira and Edgar, 2006), jet
velocity, net heat content of the fuel, crosswind
velocity (Castieira and Edgar, 2008), etc. When
flare performance deteriorates, incomplete
combustion takes place which produces more
combustion byproducts such as CO, aldehydes,
HOx, and NOx (Seinfeld and Pandis, 2006). The
oil and gas industry processes millions of cubic
feet of hydrocarbon gases every day so a slight
decrease in flare performance means a release of
tens of thousands of cubic feet of such byproducts
into the atmosphere. The common indicators used
to quantify flare performance are Destruction and
Removal Efficiency (DRE) and Combustion
Efficiency (CE) (Baukal and Schwartz, 2001).
Received: 7 Feb. 2013; Revised: 14 Oct. 2013; Accepted: 4 Dec. 2013
211
((((1)
2) CE (Combustion Efficiency)
CE, on the other hand, indicates the
conversion of fuel into CO2 rather than other
intermediate radicals. It is defined as:
CE =
(2)
2. REACTION
MECHANISM
FOR
COMBUSTION OF C1-C3 HYDROCARBONS
For practical combustion applications where
detailed chemistry is employed, the computational
cost is quite high. Accurate simulation of such
processes involves millions of cells and hence a
large memory which considerably increases the
computational time. As such, simplified reaction
mechanisms are needed to reduce the time
required for simulations. The reduced mechanism
should predict combustion phenomenon similar to
that of the original mechanism using fewer
species. Due to the limitation in the FLUENT
CFD software, one has to select 50 species from
the detailed mechanisms when using the EDC
(Eddy Dissipation Concept) model. By choosing
50 species that can closely predict the combustion
chemistry as predicted by the comprehensive
mechanism, nearly identical results can be
achieved.
To this end, a reduced reaction mechanism for the
combustion of C1-C3 hydrocarbons, LU 1.0, was
developed by Lou et al. (2011). The LU 1.0
mechanism was built upon two widely used
reaction mechanisms for the combustion of light
hydrocarbons: GRI-3.0 (Smith et al., 2000) and
USC (Davis et al., 1999). The LU 1.0 mechanism,
3. MECHANISM VALIDATION
The new LU 1.1 reduced mechanism which has
50species and 335 reactions was validated with
experimental data. The list of species included in
LU1.1 is given in Table 1. Some common
performance indicators like Ignition Delay,
Adiabatic Flame Temperature and Laminar Flame
Speed were modeled using the software package
CHEMKIN PRO (Kee et al., 2007) for validating
the reduced mechanism against experimental
results. Details of these experimental tests and
validation comparisons are given below.
213
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Fluid Mechanics
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2 (2014)
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Applications
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Fluid Mechanics
Vol. 8, No.
211228
(2014)
No. of Species
Full Mechanism
Species List
H2, H, O, O2, OH, H2O, HO2, H2O2, C, CH, CH2, CH2*, CH3,
CH4, CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H,
C2H2, H2CC, C2H3, C2H4, C2H5, C2H6, HCCO, CH2CO,
HCCOH, C2O, CH2CHO, CH3CHO, CH3CO, C3H2, C3H3,
pC3H4, aC3H4, cC3H4, aC3H5, CH3CCH2, CH3CHCH, C3H6,
C2H3CHO, C3H7, nC3H7, iC3H7, C3H8, C4H, C4H2, H2C4O, nC4H3, i-C4H3, C4H4, n-C4H5, i-C4H5 C4H6, 1,2-C4H6, C4H7, 1C4H8, C6H2, C6H3, l-C6H4, c-C6H4, A1, A1-, C6H5O, C6H5OH,
C5H6, C5H5, C5H4O, C5H4OH, C5H5O, N, NH, NH2, NH3,
NNH, NO, NO2, N2O, HNO, CN, HCN, H2CN, HCNN,
HCNO, HOCN, HNCO, NCO, Ar, N2
93
H2, H, O, O2, OH, H2O, HO2, CH, CH2, CH2*, CH3, CH4, CO,
CO2, HCO, CH2O, CH2OH, CH3O, C2H2, H2CC, C2H3, C2H4,
C2H5, C2H6, HCCO, CH2CO, CH2CHO, CH3CHO, C3H3,
pC3H4, aC3H4, aC3H5, C3H6, C3H8, C4H2, n-C4H3, i-C4H3,
C4H4, N, NH, NH2, NO, N2O, HNO, Ar, HCN, HNCO, NCO,
NO2, N2
50
Mechanism (with NO2)
Table 2 Average and maximum percentage error with respect to experimental results.
Percentage Error
Without NO2 (LU 1.0)
Indicators
Average (%)
Laminar Flame Speed
Propylene
11.605
Ethylene
Ignition Delay
Propylene
Maximum
(%)
Maximum
(%)
8.058
1.138
22.727
1.863
0.527
23.260
0.911
30.68
44.638
31.25
45.735
4. CFD SIMULATION
ETHYLENE FLARES
OF
ASSISTED
Grid B
Grid C
Grid D
Mesh Size
278,980
408,120
486,000
524,064
DRE (%)
99.981
99.781
99.727
99.719
C Error (%)
4.52
1.67
0.87
0.17
Time (hrs)
66.8
96
120
201.6
(a)
(b)
(C)
Fig. 4b Cylindrical geometry: (a) Meshed geometry showing inlet and outlet, (b) Flare stack at center of cylinder, and
(c) Details of flare tip.
216
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Fluid Mechanics
No.211228
2 (2014)(2014)
CZHV
U (m/s)
SR
Fuel
Temperature (K)
CZHV
(MJ/m3)
10.0 - 40.0
5.0 - 40.0
0.3
400 K
54.53
10.0
U (m/s)
SR
Fuel
Temperature (K)
CZHV
(MJ/m3)
5.0
0 1.35
400 K
59.4941.03
10.0
U (m/s)
SR
Fuel
Temperature (K)
CZHV
(MJ/m3)
5.0
0.3
400 K
54.5325.88
(3)
eff
where
fi: Volume flow rate of ith component in vent gas
m: Volume flow rate of makeup gas
a: Volume flow rate of assisted air
s: Volume flow rate of assisted steam
Hi: Heating Value of the ith component in fuel gas
(MJ/m3)
Hm: Heating Value of the makeup gas (MJ/m3)
CZHV: Combustion Zone Heating Value (MJ/m3)
xeff : Effective fraction (effective fraction of airassist that causes the dilution), 2% is proposed for
the 2010 John Zink flare tests in Tulsa,
Oklahoma.
The heat content of air, N2 and steam is taken as 0
MJ/m3. The Lower Heating Value of ethylene,
shown in Equation 3, is taken as 60.20 MJ/m3 [4].
In this case study, Fuel Inlet -2 served as the
source for premixed fuel and nitrogen, while Fuel
Inlet-1 provided the air-assist.
f * H m* H
f m s a*x
5. CFD METHODOLOGY
fluid
dynamics)
FLARE
SIMULATION
interaction
(a)
(b)
Fig. 6 Case study A: CE(%) vs. crosswind velocity
(m/s).
(a)
(b)
Fig. 5 Case study A: DRE(%) vs. crosswind velocity
(m/s).
219
(5)
(5)
(a)
(b)
Fig. 7 Case study B: CE(%) vs. jet velocity (m/s).
220
DRE / CE (a b * u c * v d * u 2 e * v 2
f * u * v g / v h / u i / v 2 j / u 2
(8)
k * (u / v) l * (u / v) 2 ) * (q * (CZHV / n) m )
The rest of the constant values are provided in
Table 6 for DRE and Table 7 for CE.
The comparison of the correlated efficiencies with
the CFD modeled efficiencies is shown in Figs.
10 and 11.
The above mentioned correlation can be used to
operate the flares for optimized performance.
Adjusting one of the operating parameters, the
flare emissions can be drastically reduced. As an
example, Figs. 12 and 13 can be used to find the
optimum jet velocity to maximize the DRE and
CE for different crosswind velocity.
U (m/s)
CZHV (MJ/m3)
10.0 - 40.0
5.0 - 35.0
25.88 59.49
0.0015
g
-0.1704
l
0.0015
-0.0014
h
-0.5346
m
0.2676
-1.24E-06
i
0.8233
q
1.1100
2.90E-05
j
1.5190
n
0.0373
4.37E-01
f
-3.63E-04
1.64E-02
g
6.08E-01
8.97E-04
h
-1.36E-01
-1.34E-04
i
1.298
4.84E-05
j
1.17E-01
-1.16E-01
3.23E-03
4.044E-01
0.0977
0.0373
Engineering
Applications
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Fluid Mechanics
Vol. 8, No.
Engineering
Applications
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Fluid Mechanics
Vol.2,8,pp.
No.211228
2 (2014)(2014)
Case #
Combustion Zone
Heating Value (CZHV)
(MJ/m3)
Destruction and
Removal Efficiency
(DRE) (%)
Combustion
Efficiency (CE)
(%)
56.47
98.19%
96.00%
0.2981
0.2
43.07
98.39%
96.36%
0.5961
0.4
34.81
98.38%
95.73%
0.8942
0.6
29.21
98.09%
95.02%
1.0432
0.7
27.03
97.17%
93.80%
1.3413
0.9
23.53
97.16%
93.58%
1.7884
1.2
19.70
95.88%
91.85%
2.0864
1.4
17.77
93.41%
89.36%
2.2355
1.5
16.94
93.01%
88.89%
10
2.608
1.75
15.17
89.55%
85.33%
11
2.9806
13.74
85.67%
80.83%
12
3.3532
2.25
12.55
82.60%
77.88%
13
3.7258
2.5
11.55
80.11%
75.29%
14
4.0983
2.75
10.70
68.89%
62.76%
15
4.4709
9.97
67.77%
62.07%
16
4.8435
3.25
9.33
66.32%
61.23%
17
5.2161
3.5
8.76
57.54%
52.73%
18
5.5886
3.75
8.26
49.27%
44.72%
19
5.9612
7.82
42.51%
38.73%
efficiency vs.
224
(11)
R2 = 0.991
where S/F refers to the mass ratio of steam to
fuel.
The correlation of DRE/CE with CZHV can be
shown using a slightly complex fit:
DRE 1.1*1006 * e(0.1608*CZHV ) / CZHV 98.53 (12)
(R2 = 0.9914)
(R2 = 0.9926)
where CZHV is in MJ/m3.
(13)
225
0.2
0.4
0.6
0.7
0.9
CO2
3.02E+00
3.03E+00
3.01E+00
2.99E+00
2.95E+00
2.94E+00
OH
4.89E-05
3.74E-05
2.81E-05
1.02E-05
1.00E-05
4.67E-06
HO2
9.20E-05
8.84E-05
6.63E-05
1.77E-04
2.33E-04
3.19E-04
CH3
1.92E-06
1.83E-06
1.59E-06
8.92E-07
1.13E-06
1.32E-06
CO
3.30E-02
3.18E-02
4.25E-02
4.96E-02
5.50E-02
5.76E-02
CH2O
1.28E-04
1.11E-04
1.12E-04
1.07E-04
1.47E-04
2.45E-04
C2H4
1.81E-02
1.61E-02
1.62E-02
1.91E-02
2.83E-02
2.84E-02
CH3CHO
6.33E-06
1.65E-05
1.38E-05
3.79E-05
4.17E-05
8.31E-05
NO
5.81E-03
1.99E-03
1.83E-03
5.48E-04
5.00E-04
3.76E-04
NO2
2.31E-02
2.02E-02
1.57E-02
1.19E-02
1.15E-02
8.30E-03
S/F
1.2
1.4
1.5
1.75
2.25
CO2
2.89E+00
2.81E+00
2.79E+00
2.68E+00
2.54E+00
2.45E+00
OH
4.17E-06
3.12E-06
1.85E-06
1.64E-06
2.51E-06
1.98E-06
HO2
2.10E-04
3.43E-04
2.77E-04
5.79E-04
7.64E-04
8.07E-04
CH3
2.26E-06
7.95E-07
1.11E-06
8.64E-07
1.27E-06
7.28E-07
CO
6.64E-02
6.70E-02
6.76E-02
6.88E-02
7.81E-02
7.59E-02
CH2O
5.08E-04
6.89E-04
7.45E-04
1.12E-03
1.40E-03
1.82E-03
C2H4
4.12E-02
6.59E-02
6.99E-02
1.05E-01
1.43E-01
1.72E-01
CH3CHO
1.06E-04
1.26E-04
1.78E-04
1.93E-04
3.68E-04
3.78E-04
NO
2.43E-04
1.11E-04
1.06E-04
6.39E-05
1.69E-04
4.05E-05
NO2
1.01E-02
9.39E-03
1.02E-02
8.06E-03
8.20E-03
1.09E-02
S/F
2.5
2.75
3.25
3.5
3.75
CO2
2.37E+00
1.97E+00
1.95E+00
1.92E+00
1.66E+00
1.41E+00
1.22E+00
OH
1.38E-06
1.67E-06
6.36E-06
1.02E-06
3.48E-06
8.99E-07
8.55E-07
HO2
7.41E-04
9.28E-04
2.22E-03
2.05E-03
2.67E-03
3.42E-03
3.13E-03
CH3
1.25E-06
1.17E-06
3.39E-06
7.10E-07
8.46E-07
5.20E-07
5.58E-07
CO
7.79E-02
9.65E-02
8.83E-02
7.78E-02
7.12E-02
6.60E-02
5.36E-02
CH2O
1.66E-03
2.56E-03
3.83E-03
3.80E-03
4.64E-03
5.51E-03
5.55E-03
C2H4
1.99E-01
3.11E-01
3.22E-01
3.37E-01
4.25E-01
5.07E-01
5.75E-01
CH3CHO
4.62E-04
7.92E-04
6.81E-04
7.55E-04
1.40E-03
1.51E-03
1.32E-03
NO
4.58E-05
1.33E-04
2.24E-05
1.09E-05
9.95E-06
7.03E-05
1.28E-05
NO2
7.19E-03
1.13E-02
1.04E-02
1.05E-02
7.27E-03
5.41E-03
5.02E-03
ACKNOWLEDGMENTS
The authors gratefully acknowledge the financial
support from TCEQ Supplemental Environmental
Program (SEP Agreement No. 2009-009) and the
Texas Air Research Center (TARC Grant
#079LUB0096A).
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