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Title: Application of an efficient exponential wide band model for the natural

gas combustion simulation in a 300 kW BERL burner furnace

Author: Linbo Yan, Guangxi Yue, Boshu He

PII:

DOI:

Reference:

S1359-4311(15)01036-4

http://dx.doi.org/doi:10.1016/j.applthermaleng.2015.09.109

ATE 7106

To appear in:

Received date:

Accepted date:

28-3-2015

5-9-2015

Please cite this article as: Linbo Yan, Guangxi Yue, Boshu He, Application of an efficient

exponential wide band model for the natural gas combustion simulation in a 300 kW BERL

burner furnace, Applied Thermal Engineering (2015),

http://dx.doi.org/doi:10.1016/j.applthermaleng.2015.09.109.

This is a PDF file of an unedited manuscript that has been accepted for publication. As a service

to our customers we are providing this early version of the manuscript. The manuscript will

undergo copyediting, typesetting, and review of the resulting proof before it is published in its

final form. Please note that during the production process errors may be discovered which could

affect the content, and all legal disclaimers that apply to the journal pertain.

band model for the natural gas combustion

simulation in a 300 kW BERL burner

furnace

Linbo Yana; Guangxi Yuea; Boshu Heb,

a

Department of Thermal Engineering, Key Laboratory for Thermal Science and Power

Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China

Institute of Combustion and Thermal System, School of Mechanical, Electronic and Control

Engineering, Beijing Jiaotong University, Beijing 100044, China

Highlights

analyzed.

Counter flow due to swirl velocity will be generated and is beneficial to stable

combustion.

Calculation results of simulations with the E-EWB and the WSGG models are

compared.

The simulation results with the E-EWB model are closer to the measured

data.

The simulation speed with E-EWB model is about 1.8 times slower than that

with WSGG model.

1

Page 1 of 34

Graphical Abstract

Abstract:

Methane is one of the most important radiation participating medium. However, the

weighted-sum-of-gray-gas (WSGG) model which is widely used in the recent

commercial computational fluid dynamics (CFD) software cannot address the

contribution of methane to the effective absorption coefficient (EAC) when

simulating the natural gas combustion. In this work, an efficient exponential wide

band (E-EWB) model which accounts for the effects of many species including H2O,

CO2, CO and CH4 on EAC is proposed and numerical simulations are carried out for

the natural gas combustion in a 300 kW BERL (Burner Engineering Research

Laboratory) burner. The results including the distributions of axial velocity, gas

temperature and the O2 mass fraction in the furnace obtained by the simulations with

2

Page 2 of 34

both the WSGG model and the E-EWB model are then analyzed and validated against

the experimental data. The calculation efficiencies of the two simulations with the

WSGG and E-EWB models are also compared. It is found that simulation with the

E-EWB model generates much better results, although its calculation speed is about

1.8 times slower than that of the simulation with the WSGG model.

Methane combustion mechanism; Computational fluid dynamics; User defined

function

Nomenclature

Parameters

ai

temperature-dependent

weighting factor

density

Stefan-Boltzmann constant

scattering coefficient

general scalar

Adomain

(T)

bj

polynomial coefficients

Ir

radiation intensity

(T)

ki(r)

absorption coefficient

solid angle

path length

Abbreviations

total pressure

BERL

position vector

CFD

direction vector

DO

discrete ordinates

DTRM

time

EAC

Tg

gas tempterature

EDC

eddy-dissipation concept

velocity vector

E-EWB

Vdomain

total volume

LBL

line by line

Greek symbols

NBM

RKE

Realizable

in

reference mean line width to

spacing ratio

RSM

SKE

Standard k- model

Page 3 of 34

in

ratio

effective diffusivity

S2S

surface-to-surface

UDF

WSGG

weighted-sum-of-gray-gas

d

quantum number

phase function

1 Introduction

The consumption of natural gas can emit 50% less pollution compared to other

fossil fuels

[1]

[2]

. It is also

reported that natural gas will gradually take the place of coal as an important fuel for

power generation

[3]

[4]

. Numerical

simulation is usually an effective and economical way for the burner design and

optimization before its practical operation. However, in terms of the turbulent flow,

the gas-phase chemical reactions, and the heat transfer and so on, numerical

simulation of the natural gas combustion is usually complex. Many turbulent models

including the Standard k- model (SKE) [5], the Realizable k- model (RKE) [6] and the

Reynolds Stress model (RSM)

[7]

dynamics CFD software can address the turbulence flow well. The eddy-dissipation

concept (EDC) is also a good model to account for the turbulence-chemistry

interaction

mechanism

[8]

. For the methane combustion, GRI-3.0 has listed the detailed kinetic

[9]

simplification in order to be used in the CFD calculation. Since the natural gas flame

temperature are usually very high, radiation heat transfer will play an important role.

4

Page 4 of 34

To simulate the radiation heat transfer in the furnace, many mathematical models have

been developed, such as the discrete transfer radiation model (DTRM)

radiation model

[11]

[12]

[10]

, the P-1

radiation model [13], and the discrete ordinates (DO) radiation model [12]. To solve any

of these radiative transfer equations, the effective absorption coefficient (EAC) of the

participation medium must be given or calculated. In the recent commercially

available CFD software, the weighted-sum-of-gray-gas (WSGG) model

[14]

is

generally used to calculate EAC. The WSGG model, however, only allows for the

contribution of H2O and CO2, prone to cause great error when large amount of other

radiation absorptive species like CO and CH4 appeared in the gas mixture. In fact, one

can add the additional species in the reference database for the WSGG model so that

the effects of these species on EAC can also be considered. However, it would be hard

for the WSGG model to consider the effects of these additional species because there

will be too many combinations of the species mole ratios for the actual

implementation of the WSGG model. In addition, the WSGG model cannot calculate

the EAC for the continuous species mole ratios. It is therefore very meaningful to

develop such an EAC calculation method that can consider the effects of multiple

radiative species and, in the meantime, is efficient enough to be used in the CFD

calculation.

Many researchers have focused on the modification and development of the

WSGG model to make this model justified for more and more cases and the

exponential wide band (EWB) model and other complex models are usually chosen as

5

Page 5 of 34

the reference model. Kangwanpongpan once optimized the WSGG model for the

oxy-combustion of coal particles in a furnace and found that the results calculated

with the optimized WSGG model were much better [15]. Yin once did detailed research

on the chemistry and radiation in the numerical simulations of oxy-combustion of

natural gas and developed a new WSGG model in their work

[16]

. Their simulation

Krishnamoorthy once formulated a new WSGG model for the radiation calculation in

an oxy-fuel combustion boiler and found that the new WSGG model with 4 band

intervals perform well [17]. In this work, the efficient exponential wide band (E-EWB)

model developed in our lab

[18]

software to calculate EAC through the user defined function (UDF) interface. In order

to evaluate the E-EWB model in the CFD calculation, numerical simulations are

carried out to predict the natural gas flame in the 300 kW BERLBurner Engineering

Research Laboratoryburner. Some researchers [19] once did a series simulations of the

same burner and their work has great reference value to this research. However, some

of their simulation results, especially the gas temperature, are found deviating much

from the measured data. Thus, the more advanced EAC calculation model is used in

this work in the hope that the accuracy of the calculation results can be improved. The

calculation results of simulations with both the E-EWB model and the WSGG model

are compared and validated against the measured data. The time consumptions of the

simulations with the two models are also compared.

Page 6 of 34

In this section, the methodologies of the WSGG and the E-EWB models are

simply explained. The WSGG model was firstly proposed by Hottel and Sarofim

[14]

and has been further developed and modified by many other researchers in the recent

years

[20]

[21]

CFD software. Although the calculation speed of the WSGG model is very fast and

generates acceptable errors for the ranges of temperatures and pressures that cover

almost all the traditional combusting processes, there are also a lot of limitations

[22]

The E-EWB model [18] was developed based on the EWB model in our lab. The EWB

model was firstly developed by Edwards & Menard

[24]

[23]

. Although the EWB model is more accurate and flexible than the WSGG model

and is much faster than the line by line (LBL) method [25] and the narrow band model

(NBM)

[25]

engineering application. That is why the E-EWB model needs to be developed. The

E-EWB model inherits almost all the advantages of the EWB model but it can be

about 350 times faster than the EWB model [18], which makes it very prospective to be

implemented in the CFD calculations.

Detailed description of the WSGG model can be found in literature

[14]

. The total

7

Page 7 of 34

a i ( T g ) (1 e

ki P L

(1)

i0

where, ai(Tg) is the temperature-dependent weighting factor for the ith gray gas at gas

temperature Tg; ki is the absorption coefficient of the ith gray gas; P is the total

pressure of the participating gases; and L is the path length. To solve Eq. (1), ai(Tg)

and ki should be known. These two parameters can be obtained by fitting the

emissivity data to those calculated by other models like the EWB model or the LBL

method. The fitting procedure can be found elsewhere [23]:

The original set of ai and ki used in Fluent can be found in some literature [26].

Detailed description of the E-EWB model can be found in our former work

[18]

The calculation procedure of the E-EWB model is the same with that of the EWB

model. The main differences between the E-EWB and the EWB models are the

calculations of the integrated band intensity, in, the mean line width to spacing ratio

parameter, in, and the black body fractional function. in and in are recalculated with

the polynomial correlations in the E-EWB model, while these two parameters are

calculated based on the quantum mechanics in the original EWB model as shown by

Eq. (2) and Eq. (3).

in T

where,

1 e x p d d

d 1

e

x

p

0 ,d d

d 1

(2)

T0

8

Page 8 of 34

; 0 is the

[25]

in T

T

0

T0

0 .5

T0

(3)

where, 0 is the reference EWB parameter and (T) is another temperature dependent

parameter.

In addition, a black body fractional function table is built in the E-EWB model.

Thus, the black body intensity can be obtained quickly by table looking up rather than

iteratively solving the corresponding correlations which is time consuming. The

procedure of the EWB model is listed below [27]:

(1) For each gas i, calculate the mass-path length product as defined by Eq. (4);

i i L

(4)

where, i denotes the density of species i and L is the domain based path length

and is calculated with Eq. (5).

L 0 .9 ( 4

V d o m a in

A d o m ia n

where,

V d o m a in

) 3 .6

V d o m a in

(5)

A d o m ia n

A d o m ia n

(2) For band j of gas i, calculate the effective pressure, bandwidth parameter,

integrated band intensity and the parameter related to the ratio of mean line-width

to spacing, respectively;

(3) For band j of gas i, calculate the total band absorptance;

(4) For band j of gas i calculate the band transmissivity and evaluate the wavenumber

upper and lower limits of each band;

9

Page 9 of 34

(5) When all the band limits are calculated, sort in blocks and arrange in ascending

order;

(6) By comparing whether the limits of a given block belongs to none, one or several

absorption bands, compute the block transmissivity as the product of the band

transmissivity to which the block belongs;

(7) Multiply each block emissivity by the fraction of blackbody radiation in the block

limits and sum over all the blocks. The result of this summation gives the total

emissivity.

The two parameters, in and in, for each fundamental band of species H2O, CO2,

CO and CH4 have been recalculated by fitting the emissivity values to those

calculated by the LBL method with the HITEMP-2010 spectral database in the

temperature range of 500 K-2000 K in our former work

[18]

temperature range has been expanded to 300 K-2500 K and they can all be fitted with

Eq. (6).

J

bT

j

(6)

j0

coefficients for in and in are listed in Table 1 and Table 2 for gas temperatures

between 300 K and 500 K. The polynomial coefficients for in and in have been

obtained in our former work

[18]

temperatures between 500 K and 2000 K. The polynomial coefficients for in and in

are listed in Table 5 and Table 6 for gas temperatures between 2000 K and 2500 K.

Detailed comparison of the calculation results obtained by the E-EWB model,

10

Page 10 of 34

the LBL model and the EWB model can be found in our former work

[18]

. Before the

application of the E-EWB model in this work, the calculation result for the H2O, CO2,

CO and CH4 mixture under the specific condition is compared with the value

calculated in the reference [27]. The calculated total emissivity from the E-EWB model

is 0.177657453 and the total emissivity given in reference [27] is 0.167256724. The

values are very close to each other. The cause of the deviation is that the EWB

parameters including in and in are recalculated based on the LBL method and the

HITEMP-2010 spectroscopic database. It should be noted that the spectral data of

CH4 have not been added in the HITEMP-2010 database, so the radiation parameters

of CH4 in the E-EWB model are not updated. This is one flaw of the E-EWB model

and can be modified when CH4 and other species are added in the HITEMP-2010

database.

In this section, both the E-EWB and the WSGG models are used to calculate

EAC during the simulation of the natural gas combustion in a 300 kW BERL burner.

The DEFINE EXECUTE ON LOADING macro

[28]

body fractional function table before the simulation. The DEFINE PROPERTY

macro [28] is used to transfer EAC calculated with the E-EWB model to the solver. The

general conservation equation form of the reaction flow for the continuous phase can

be written as Eq. (7) [28].

( V ) ( ) S

(7)

11

Page 11 of 34

where, t, ,

, and S are the fluid density, time, general scalar, velocity vector,

effective diffusivity, and the gas phase source term, respectively. The general scalar

includes mass, momentum, enthalpy, species mass fraction and the other turbulence

related parameters. The Reynolds Stress model (RSM) is used to calculate the

turbulence properties in the furnace. The DO radiation model, which is justified in a

wide range of optical thicknesses, is used to simulate the radiation heat transfer in the

furnace and the corresponding correlation is shown as Eq. (8).

( I r (r , s )s ) (kr s ) I r (r , s ) ar nr

where,

Ir

ar

rT

(8)

The commercially available software, Fluent [28], is used as the solver for the

partial differential governing equations with the SIMPLE solution method. For the

methane reaction kinetics, a four-step global mechanism as listed in Table 7 is used in

this simulation

[29]

The 300 kW natural gas combustion furnace is vertically-fired and has an

octagonal cross-section with a conical furnace hood and a cylindrical exhaust duct.

The furnace walls are capable of being refractory-lined or water-cooled. The burner

12

Page 12 of 34

has 24 radial fuel inlets and an annular air inlet. Air is introduced through the annular

inlet and movable swirl blades are used to generate swirl. The geometric construction

of the combustor and the close-up of the burner are described in Figures 1 (a) and (b).

Detailed information and further descriptions of the combustor geometry and

boundary conditions can be found in some literature

[30]

economize the computation consumption. Before the computation, detailed mesh

independency verification has been implemented. Simulation results obtained from

three meshes, mesh A, mesh B and mesh C, are compared. Mesh A has 4011

quadrilateral cells, mesh B has 9784 quadrilateral cells and mesh C has 39136

quadrilateral cells. The comparison of axial velocity, temperature and O2 mass

fraction along the radial position 27 mm off the Quarl exit are shown in Figures 2

(a)-(c).

From these figures, it can be seen that the calculation results of the three meshes

are close to each other. Thereinto, results from mesh B and mesh C are closer. Thus,

mesh B is chosen in this work to do the following numerical simulations and the grid

resolution used is found to be sufficient to obtain the grid independent results. The

computational domain is then discretized by 9784 quadrilateral cells and the mesh is

shown in Figure 1 (c). The close-up of the mesh in the quarl region is shown in Figure

1 (d). The mesh is locally refined in the quarl region in order to enhance the

prediction of initial combustion steps.

13

Page 13 of 34

The fuel composition, the wall thermal conditions and the inlet flow boundary

conditions are shown in Tables 8-10, respectively. In this work, all the alkanes are

considered as CH4 according to the mass balance. It should be noted that the profile

in Table 9 and Table 10 indicates that the specific boundary condition is not a constant

value but varies with the coordinate. The detailed value and the corresponding

coordinate can be found in some literature [30].

4 Simulation results

Numerical simulations with both the E-EWB model and the WSGG model are

done and the results including the axial velocity, the gas temperature and the mass

fracion of O2 are compared and validated against the experimental data. In order to

compare the E-EWB model and the WSGG model directly and precisely, radial

distribution profiles of the absorption coefficients calculated with the two models at

the four locations off the quarl exit in the furnace as shown in Figure 1 are firstly

compared in Figures 3 (a)-3 (d). The axial velocity contours of the two simulations

are shown in Figures 4 (a) and 4 (b). Radial distribution profiles of the axial velocities

at the four locations off the quarl exit are shown in Figures 5 (a)- 5 (d). The

temperature contours of the two simulations are shown in Figures 6 (a) and 6 (b).

Radial distribution profiles of the temperatures at the four locations off the quarl exit

in the furnace are shown in Figures 7 (a)-7 (d). The O2 mass fraction contours of the

two simulations are shown in Figures 8 (a) and 8 (b). Radial distribution profiles of

14

Page 14 of 34

the O2 mass fractions at the four locations off the quarl exit in the furnace are shown

in Figures 9 (a)-9 (d).

From Figure 3, it can be seen that the radiation absorption coefficient calcualted

with the E-EWB model is higher than that calculated with the WSGG model in the

near-center zone of the furnace where the natural gas flame prevails. This is because

the E-EWB model allows for the contribution of CO, CH4, H2O and CO2 to the total

EAC, while the WSGG model only considers the contribution of H2O and CO2. High

absorption coefficient implies that radiation heat transfer will be enhanced, so the

radiation heat transfer in the simulation with the E-EWB model will be stronger than

that in the simulation with the WSGG model. Since the natural gas flame temperature

is higher than the wall temperature, heat loss due to radiation will be enhanced in the

simulation with the E-EWB model. In this work, the radiation heat loss through the

furnace and burner wall in the simulations with the E-EWB model and the WSGG

model are 135.944 kW and 129.007 kW, respectively.

From Figure 4, it can be seen that the axial velocity field obtained by the

simulations with the E-EWB model and the WSGG model are very similar to each

other. Because there exists swirl velocity in the inlet air flow, a relatively strong

counter flow is generated in the zone close to the burner outlet. It can also be seen that

the counter flow generated in the simulation with the E-EWB model is a little stronger

than that predicted in the simulation with the WSGG model. In addition, the shapes of

the injection predicted are also different by the two simulations. The counter flow can

circulate the high-temperature flue gas to the root of the burner to ignite and stabilize

15

Page 15 of 34

From Figure 5, it can be seen that the axial velocity predicted by the simulations

with the E-EWB model and the WSGG model are very close to the measured data. In

the near burner zone, the contour flow is embraced by the relatively high speed flow

injection due to the swirl velocity of the inlet air flow. Hence, a peak of the axial

velocity will apear in the radial position of about 0.1 m off the axis of the furnace.

When the radial position is larger than 0.1 m, the axial velocity will then decrease

quickly, which is the classical profile of the swirl injection.

From Figure 6, it can be seen that a stable high temperature zone has been

generated around the axis of the furnace. In this zone, strong chemical reactions take

place and, due to the reaction mechanism used in this work, intermediate species

including H2 and CO will be generated and then consumed. The high temperature

zone predicted by the simulation with the WSGG model is longer than that predicted

by the simulation with the E-EWB model. This is caused by the following reasons.

First, the contour flow in the simulation with the E-EWB model is stronger, so the

reactions mainly take place in the near burner zone. Second, the heat loss due to

radiation in the simulation with the E-EWB model is more than that in the simulation

with the WSGG model. This also leads to lower gas temperature predicted by the

simulation with the E-EWB model than that predicted by the simulation with the

WSGG model. It can be seen from Figure 6 (a) that a there is a relatively high

temperature zone after the main combustion zone. This is caused by the reaction of

some residual intermediate species.

16

Page 16 of 34

From Figure 7, it can be seen that the natural gas flame temperature predicted by

the simulation with the E-EWB model is a little lower than that predicted by the

simulation with the WSGG model and is closer to the measured data. This is because

the absorption coefficient calculated by the E-EWB model is larger than that

calculated with the WSGG model. Thus, the radiation heat transfer from the natural

gas flame to the furnace wall in the simulation with the E-EWB model will be larger

than that in the simulation with the WSGG model and more heat will be lost due to

radiation.

From Figure 8, it can be seen that the mass fraction of O2 decreases along the

axial coordinate. Fresh air is injected into the furnace and transferred to the contour

flow area due to the pressure difference between the inside and outside of the

injection and, at the same time, is heated to a very high temperature and consumed

quickly in the natural gas flame. Small part of O2 brought by the air injection flow

also diffuses to the near wall area where the chemical reactions are much weaker.

Thus, the O2 concentration is the highest in the injection flow and lowest in the

natural gas flame. It can also be seen that the O2 concentration predicted by the

simulation with the E-EWB model is lower than that predicted by the simulation with

the WSGG model near the furnace outlet. This may be because the counter flow is

strong in the simulation with the E-EWB model and more O2 is circulated to the

strong chemical reaction zone and consumed there.

From Figure 9, it can be seen that simulation with the E-EWB model is more

accurate in the prediction of the O2 mass fraction peak value. The simulation result

17

Page 17 of 34

with the WSGG model is prone to over predict the peak, while the simulation with the

E-EWB model is prone to underestimate the O2 mass fraction after the peak.

In addition to evaluating the accuracy of the E-EWB model when it is practically

implemented for the CFD calculation, the efficiency of this model is also tested. In

order to count the time consumed by the two simulations with the E-EWB model and

the WSGG model, an UDF is used to record the Windows system local time. The

difference between the staring time and the time after 100 iterations is considered as

the time consumption samples of the two simulations. It is found that the time

consumption of the simulations with the E-EWB model and the WSGG model are 57

s and 32 s, respectively, which indicates that the calculation speed of the simulation

with the E-EWB model is about 1.8 times slower than that of the simulation with the

WSGG model.

5 Conclusions

A new EAC calculation method, the E-EWB model developed in our lab, is

implemented in the commercial CFD software to simulate the natural gas flame in a

300 kW BERL burner. The calculation results including the axial velocity, the gas

temperature and the mass fraction of O2 obtained by the simulations with the E-EWB

and the WSGG models are analyzed and compared with the measured data. The time

consumption of the two simulations are also compared to evaluate the calculation

efficiency of the E-EWB model. The main contribution of this work to the present

state of knowledge is that the EWB model parameters are renewed and an E-EWB

18

Page 18 of 34

model which is more advanced than the WSGG model and can be practically used in

the CFD calculation is proposed. The conclusions of this work can be drawn as:

1) The absorption coefficient calculated with the E-EWB model is a little higher

than that calculated with the WSGG model especially in the strong reaction zone

near the burner.

2) A relatively strong counter flow is generated in the zone close to the burner outlet.

A stable high temperature zone is generated around the axis of the furnace. The

O2 mass fraction decreases along the axial coordinate and it is the highest in the

injection flow and lowest in the natural gas flame.

3) The axial velocities calculated by the simulations with the E-EWB model and the

WSGG model are very similar and both of them are close to the measured data.

4) The natural gas flame temperature predicted by the simulation with the E-EWB

model is a little lower than that predicted by the simulation with the WSGG

model in the high temperature zone and is closer to the measured data.

5) Simulation with the E-EWB model is more accurate in the prediction of the peak

value of the O2 mass fraction. The simulation with the WSGG model is prone to

over predicting the peak values, while the simulation with the E-EWB model is

prone to underestimating the O2 mass fraction after the peak.

6)

The calculation speed of the simulation with the E-EWB model is about 1.8 times

slower than that of the simulation with the WSGG model in this work.

19

Page 19 of 34

Acknowledgements

The authors gratefully acknowledge financial support from the National Natural

Science Foundation of China (NSFC, 51176009) and the China Postdoctoral Science

Foundation (2015M570096) for this work for this work.

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[10] N.G. Shah. A new method of computation of radiant heat transfer in combustion

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London, U.K., 1979.

[11] P. Cheng. Two-dimensional radiating gas flow by a moment method. AIAA

Journal 2(1964) 16621664.

[12] R. Siegel, J.R. Howell. Thermal Radiation Heat Transfer; Hemisphere Publishing

Corporation: Washington, D.C., 1992.

[13] E.H. Chui, G.D. Raithby. Computation of radiant heat transfer on a

non-orthogonal mesh using the finite-volume method. Numerical Heat Transfer,

Part B 23(1993) 269288.

[14] H.C. Hottel, A.F. Sarofim. Radiative Transfer; McGraw-Hill: New York, 1967.

[15] T. Kangwanongpan, R.C. da Silva, H.J. Krautz. Prediction of oxy-coal

combustion through an optimized weighted sum of gray gases model. Energy 41

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(2012) 244-251.

[16] C. Yin, L.A. Rosendahl, S.K. Kr. Chemistry and radiation in oxy-fuel

combustion: A computational fluid dynamics modeling study. Fuel 90 (2011)

2519-2529.

[17] G. Krishnamoorthy, M. Sami, S. Orsino, A. Perera, M. Shahnam, E.D. Huckaby.

Radiation modelling in oxy-fuel combustion scenarios. International Journal of

Computational Fluid Dynamics 24 (2010) 69-82.

[18] L.B. Yan, G.X. Yue, B.S. He. Development of an absorption coefficient

calculation method potential for combustion and gasification simulations.

International Journal of Heat and Mass Transfer 2015. (under review)

[19] S. Tiribuzi A. Gelmini G. Mariotti. 1997. Numerical Simulation of the

BERL 300 kW Natural Gas Flame using KIEN Code. Proceedings of the 2nd

International Symposium on Turbulence, Heat and Mass Transfer. Delft, South

Holland, Netherlands.

[20] P. Nakod, Krishnamoorthy G, Sami M, Orsino S. A comparative evaluation of

gray and non-gray radiation modeling strategies in oxy-coal combustion

simulations. Applied Thermal Engineering 54(2013) 422-432.

[21] C.G. Yin. Refined weighted sum of gray gases model for air-fuel Combustion and

its impacts, Energy & Fuels 27(2013) 6287-6294.

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H2O-CO2-N2/air mixtures and coupling with solution methods of the radiative

transfer equation. Progress in Energy and Combustion Science 22(1996) 543-574.

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[23] D.K. Edwards, W.A. Menard. Comparison of models for correlation of total band

absorption. Applied Optics 3(1964) 621-625.

[24] D.K. Edwards, A. Balakrishnan. Thermal radiation by combustion gases.

International Journal of Heat and Mass Transfer 16(1973) 25-40.

[25] M.F. Modest. Radiative heat transfer. 2nd ed. California: Academic Press, 2003.

[26] T.F. Smith, Z.F. Shen, J.N. Friedman. Evaluation of Coefficients for the Weighted

Sum of Gray Gases Model. Journal of Heat Transfer 104(1982) 602-608.

[27] C.G. Yin, L.C.R. Johansen, L.A. Rosendahl, S.K. Kr. New weighted sum of

gray gases model applicable to computational fluid dynamics (CFD) modeling of

oxy-Fuel combustion: derivation, validation, and implementation. Energy &

Fuels 24(2010) 6275-6282.

[28] Fluent, Inc. FLUENT6.3-Users Guide; Fluent, Inc.: New York, 2006.

[29] J.P. Jones, R.P. Lindstedt. Global reaction schemes for hydrocarbon combustion.

Combustion and Flame 73(1988) 233-249.

[30] A. Sayre, N. Lallemant, J. Dugu, R. Weber. Scaling Characteristics of

Aerodynamics and Low-NOx Properties of Industrial Natural Gas Burners, The

SCALING 400 Study, Part IV: The 300 kW BERL Test Results, IFRF Doc No

F40/y/11, International Flame Research Foundation, The Netherlands, 1994.

23

Page 23 of 34

Figure captions:

Figure 1. Geometry and mesh of the natural gas combustion furnace

Figure 2. Comparisons of the results obtained from three sets of meshes

Figure 3. Radial distribution profiles of radiation absorption coefficient at the

four locations off the quarl exit

Figure 4. Axial velocity contours of the simulations with the E-EWB and the

WSGG models

Figure 5. Radial distribution profiles of the axial velocity at the four locations off

the quarl exit

Figure 6. Temperature contours of the simulations with the E-EWB and the

WSGG models

Figure 7. Radial distribution profiles of gas temperatures at the four locations off

the quarl exit

Figure 8. O2 mass fraction contours of the simulations with the E-EWB and the

WSGG models

Figure 9. Radial distribution profiles of O2 mass fraction at the four locations off

the quarl exit

Table captions:

Table 1 Polynomial coefficients for in(T) in the temperature range of 300 K-500 K

b0

b1

b2

1.49E+02

-5.46E-01

5.65E-04

,1 6 0 0

2.31E+04

-9.69E+01

1.03E-01

2O

,3 7 6 0

2.49E+01

-2.60E-04

3.86E-07

2O

,5 3 5 0

3.05E+00

-3.38E-04

6.01E-07

2O

,7 2 5 0

2.50E+00

-3.53E-06

5.15E-09

2 O ,1 4 0

2O

H

H

H

CO

,6 6 7

9.98E-01

2.32E-01

-4.19E-04

CO

,9 6 0

1.33E-02

-1.02E-04

2.06E-07

CO

,1 0 6 0

1.34E-02

-1.04E-04

2.08E-07

CO

,2 4 1 0

9.06E+04

-3.87E+02

4.18E-01

24

Page 24 of 34

CO

,3 6 6 0

4.11E+00

-7.91E-04

1.50E-06

CO

,5 2 0 0

6.95E-02

-2.55E-05

4.85E-08

C O ,2 1 4 3

1.22E+02

-4.89E-01

5.43E-04

C O ,4 2 6 0

1.42E-01

-1.10E-05

1.74E-08

CH

,4 2 2 0

2.97E+00

-5.56E-04

1.10E-06

CH

,5 8 6 1

4.39E-01

-1.41E-04

2.67E-07

Table 2 Polynomial coefficients for in(T) in the temperature range of 300 K-500 K

b0

b1

b2

,1 4 0

1.37E-01

-2.34E-04

1.76E-07

2O

,1 6 0 0

8.75E-02

-1.55E-04

1.87E-07

2O

,3 7 6 0

2.24E-01

-4.00E-04

4.42E-07

2O

,5 3 5 0

7.62E-02

-1.37E-04

1.67E-07

2O

,7 2 5 0

1.10E-01

-1.96E-04

2.16E-07

2O

CO

,6 6 7

5.59E-02

-8.18E-05

4.64E-07

CO

,9 6 0

5.02E-02

-1.42E-04

4.02E-07

CO

,1 0 6 0

1.08E-01

-1.82E-04

8.53E-07

CO

,2 4 1 0

2.38E-01

-4.18E-04

1.70E-06

25

Page 25 of 34

CO

,3 6 6 0

1.24E-01

-2.38E-04

1.06E-06

CO

,5 2 0 0

4.53E-01

-1.30E-03

4.27E-06

C O ,2 4 1 3

7.20E-02

-1.31E-04

1.28E-07

C O ,4 2 6 0

1.61E-01

-3.00E-04

3.06E-07

CH

,1 3 1 0

9.66E-02

-2.84E-04

5.89E-07

CH

,3 0 2 0

7.64E-02

-2.17E-04

4.34E-07

CH

,4 2 2 0

4.06E-01

-1.24E-03

2.53E-06

CH

,5 8 6 1

8.30E-01

-2.72E-03

5.59E-06

Table 3 Polynomial coefficients for in(T) in the temperature range of 500 K-2000 K

H

2O

b0

b1

b2

b3

b4

b5

b6

b7

b8

b9

,1 4 0

-28119.6

199.5666

-0.53632

0.0007868

-6.72E-07

3.303E-10

-8.6E-14

9.26E-18

--

--

594.3822

-4.39809

0.013095

-2.02E-05

1.769E-08

-8.89E-12

2.38E-15

-2.62E-19

--

--

2O

,1 6 0 0

2O

,3 7 6 0

24.90321

-6.5E-05

4.75E-08

1.718E-10

-2.12E-13

1.141E-16

-3.1E-20

3.3613E-24

--

--

2O

,5 3 5 0

3.104651

-0.00055

6.09E-07

7.648E-10

-9.68E-13

5.106E-16

-1.4E-19

1.4812E-23

--

--

2O

,7 2 5 0

2.495858

-2.7E-05

3.03E-07

-8.77E-10

1.102E-12

-6.27E-16

1.74E-19

-1.929E-23

0.030733

-5.7E-05

6.82E-08

-5.3E-11

2.71E-14

-8.7E-18

1.6E-21

-1.3E-25

CO

,6 6 7

CO

,9 6 0

0.069745

-0.0005

1.24E-06

-1.25E-09

7.304E-13

-2.53E-16

4.83E-20

-3.91E-24

--

--

0.070363

-0.0005

1.25E-06

-1.25E-09

7.318E-13

-2.54E-16

4.87E-20

-3.97E-24

--

--

0.16175

-0.000205

1.544E-07

-6.86E-11

1.66E-14

-1.7E-18

--

--

CO

,1 0 6 0

CO

,2 4 1 0

1300.236

14692.34

-9.50528

-71.3231

26

Page 26 of 34

CO

,3 6 6 0

4.162493

-0.00089

8.28E-07

2.395E-09

-2.8E-12

1.442E-15

-3.7E-19

3.968E-23

--

--

CO

,5 2 0 0

0.072587

-4.2E-05

7.55E-08

-1.17E-11

-7.33E-15

7.894E-18

-2.7E-21

3.396E-25

--

--

-4.4E-11

-2.37E-15

5.36E-18

-9.9E-22

--

--

C O ,2 1 4 3

-2.62492

0.086348

-0.000162

1.317E-07

C O ,4 2 6 0

0.134803

5.227E-05

-1.97E-07

3.39E-10

-2.7E-13

1.206E-16

-2.9E-20

2.92E-24

--

--

CH

,4 2 2 0

3.049165

-0.001

1.99E-06

-5.8E-10

-7.6E-14

1.25E-16

-4.1E-20

4.71E-24

--

--

CH

,5 8 6 1

0.459851

-0.00025

4.75E-07

-1.4E-10

1.1E-14

2.23E-17

-1E-20

1.38E-24

--

--

Table 4 Polynomial coefficients for in(T) in the temperature range of 500 K-2000 K

b0

H

2O

b1

b2

b3

b4

b5

b6

b7

,1 4 0

0.143246

-0.00033

5.63E-07

-6.1E-10

4.222E-13

-1.77E-16

4.152E-20

-4.1E-24

2O

,1 6 0 0

0.087998

-0.00021

4.53E-07

-4.7E-10

3.452E-13

-1.49E-16

3.564E-20

-3.6E-24

2O

,3 7 6 0

0.224847

-0.00051

1.01E-06

-9.9E-10

6.943E-13

-2.83E-16

6.426E-20

-6.2E-24

2O

,5 3 5 0

0.077023

-0.00018

3.94E-07

-4E-10

2.98E-13

-1.26E-16

2.916E-20

-2.9E-24

2O

,7 2 5 0

0.113097

-0.00027

5.34E-07

-5.3E-10

3.879E-13

-1.62E-16

3.749E-20

-3.7E-24

CO

,6 6 7

3.83E-02

3.51E-05

2.09E-07

1.78E-10

1.35E-14

-2.3E-17

7.7E-21

-9.4E-25

CO

,9 6 0

2.60E-02

1.34E-05

1.06E-07

1.16E-10

1.04E-13

-5.8E-17

1.46E-20

-1.5E-24

CO

,1 0 6 0

7.93E-02

2.47E-05

3.54E-07

2.82E-10

3.6E-13

-2E-16

5.01E-20

-5.2E-24

CO

,2 4 1 0

1.65E-01

7.43E-05

6.19E-07

6.63E-10

3.37E-13

-2.3E-16

6.4E-20

-6.9E-24

27

Page 27 of 34

CO

,3 6 6 0

8.74E-02

3.36E-05

3.8E-07

4.36E-10

4.31E-13

-2.7E-16

7.08E-20

-7.5E-24

CO

,5 2 0 0

2.40E-01

1.88E-04

8.91E-07

1.95E-09

1.59E-12

-1E-15

2.78E-19

-3E-23

C O ,2 4 1 3

0.0796287

-0.000223

4.67E-07

-5.21E-10

3.58E-13

-1.5E-16

3.49E-20

-3.5E-24

C O ,4 2 6 0

0.1805136

-0.000522

1.12E-06

-1.23E-09

8.38E-13

-3.5E-16

8.06E-20

-8E-24

CH

,1 3 1 0

0.081379

-0.00023

7.25E-07

-7.2E-10

8.13E-13

-1.7E-16

2.59E-20

-2E-24

CH

,3 0 2 0

0.066498

-0.00019

5.68E-07

-5.7E-10

5.88E-13

-9E-17

8.44E-21

-2.8E-25

CH

,4 2 2 0

0.340122

-0.001

3.01E-06

-2.8E-09

2.93E-12

-4.7E-17

-6.6E-20

9.28E-24

CH

,5 8 6 1

0.683294

-0.00215

6.5E-06

-6.1E-09

6.23E-12

4.61E-16

-3.2E-19

3.99E-23

Table 5 Polynomial coefficients for in(T) in the temperature range of 2000 K-2500 K

b0

H

2O

b1

b2

b3

b4

,1 4 0

-1.73E+05

2.98E+02

-1.91E-01

5.44E-05

-5.87E-09

2O

,1 6 0 0

1.78E+03

-2.81E+00

1.73E-03

-4.81E-07

5.04E-11

2O

,3 7 6 0

2.49E+01

3.20E-05

6.02E-08

-1.37E-11

1.25E-15

2O

,5 3 5 0

2.83E+00

-9.59E-05

7.38E-07

-1.46E-10

1.19E-14

2O

,7 2 5 0

2.83E+00

-7.76E-04

5.75E-07

-1.03E-10

7.71E-15

CO

,6 6 7

-3.36E+05

5.95E+02

-3.93E-01

1.16E-04

-1.27E-08

CO

,9 6 0

-1.13E-01

2.48E-04

-6.03E-08

1.11E-11

-8.33E-16

CO

,1 0 6 0

-1.19E-01

2.60E-04

-6.66E-08

1.29E-11

-1.04E-15

CO

,2 4 1 0

5.85E+04

-1.02E+02

6.74E-02

-1.98E-05

2.17E-09

28

Page 28 of 34

CO

,3 6 6 0

3.31E+00

5.56E-04

1.11E-06

-2.37E-10

2.04E-14

CO

,5 2 0 0

5.29E-02

5.22E-06

3.22E-08

1.72E-12

-2.08E-16

C O ,2 1 4 3

-9.29E+01

1.86E-01

-1.26E-04

3.75E-08

-4.17E-12

C O ,4 2 6 0

1.31E-01

-1.44E-05

4.42E-08

-9.52E-12

8.33E-16

CH

,4 2 2 0

2.49E+00

3.36E-04

7.64E-07

-1.58E-10

1.33E-14

CH

,5 8 6 1

3.98E-01

-5.69E-05

2.32E-07

-8.24E-12

8.33E-16

Table 6 Polynomial coefficients for in(T) in the temperature range of 2000 K-2500 K

b0

H

2O

b1

b2

b3

b4

,1 4 0

6.51E-02

-2.81E-05

7.25E-09

-7.41E-13

-6.48E-27

2O

,1 6 0 0

1.09E-02

5.49E-05

-6.04E-10

2.83E-11

-2.08E-15

2O

,3 7 6 0

1.43E-01

-7.99E-05

1.11E-07

3.76E-11

2.01E-26

2O

,5 3 5 0

6.68E-02

-5.39E-05

6.05E-08

1.54E-11

-2.87E-26

2O

,7 2 5 0

-7.21E-02

2.17E-04

-1.26E-07

8.00E-11

-6.25E-15

CO

,6 6 7

1.24E-01

-1.67E-04

3.92E-07

1.17E-10

-4.17E-15

CO

,9 6 0

1.77E-02

1.48E-05

6.54E-08

2.30E-10

-1.25E-14

CO

,1 0 6 0

3.09E-01

-4.13E-04

4.97E-07

5.91E-10

-2.71E-14

CO

,2 4 1 0

6.22E-01

-9.42E-04

1.35E-06

7.04E-10

-3.13E-14

29

Page 29 of 34

CO

,3 6 6 0

5.88E-01

-1.01E-03

1.03E-06

6.11E-10

-2.71E-14

CO

,5 2 0 0

2.21E+00

-4.09E-03

3.79E-06

2.36E-09

-1.10E-13

C O ,2 4 1 3

-8.29E-02

2.09E-04

-1.26E-07

3.73E-11

-4.17E-15

C O ,4 2 6 0

7.79E-02

-5.15E-06

5.21E-08

-1.79E-11

2.08E-15

CH

,1 3 1 0

-8.64E-01

2.25E-03

-2.06E-06

1.02E-09

1.40E-13

CH

,3 0 2 0

-9.42E-01

2.32E-03

-2.05E-06

9.16E-10

1.04E-13

CH

,4 2 2 0

-7.30E+00

1.73E-02

-1.48E-05

5.84E-09

9.42E-13

CH

,5 8 6 1

-1.87E+01

4.44E-02

-3.83E-05

1.48E-08

2.31E-12

Step 1

Step 2

Step 3

Step 4

Reactions

E (J/kmol)

CH4+0.5O2=CO+2H2

CH4+H2O=CO+3H2

H2+0.5O2=H2O

CO+H2O=CO2+H2

4.4e14

3.0e11

2.5e19

2.75e12

1.9955e8

1.9955e8

2.6606e8

1.3303e8

0

0

-1

0

30

Page 30 of 34

Species

Mole Fraction

CH4

N2

C2H 6

C3H 8

C4H10

CO2

0.965

0.013

0.017

0.001

0.001

0.003

31

Page 31 of 34

Boundary

Temperature (K)

Emissivity

Bluff body front wall

Inlet duct insert

Quarl wall

Furnace bottom wall

Furnace cylinder wall

Furnace top wall

Chimney wall

312

1173

1173

1273

1100

profile

1305

1370

0.6

0.6

0.6

0.6

0.5

0.5

0.5

0.5

32

Page 32 of 34

Boundary

Air

Natural Gas

Axial Velocity (m/s)

Radial Velocity (m/s)

Mean Tangential Velocity (m/s)

Tangential Velocity (m/s)

Temperature (K)

Turbulence Intensity (%)

Turbulence Length Scale (m)

31.35

profile

0

20.97

profile

312

17

0.0076

0

0

157.25

0

0

308

5

0.0009

33

Page 33 of 34

34

Page 34 of 34

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