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Numerical Simulation of Lignite Combustion in

O2/CO2 Environment by Eddy-Dissipation Model

Tanin Kangwanpongpan, Hans Joachim Krautz


Chair of Power Plant Technology
Brandenburg University of Technology Cottbus, Germany

1st International Oxyfuel Combustion Conference 2009


Radisson SAS Hotel
Cottbus, Germany
7th – 11th September 2009
Contents

1 Objective

2 Mathematical modelling

3 Results

4 Conclusions

5 Future Research

1st International Oxyfuel Combustion Conference 2 Cottbus, Germany, 7th – 11th September 2009
Introduction

Objective

To validate the numerical model for an oxyfuel combustion

1st International Oxyfuel Combustion Conference 3 Cottbus, Germany, 7th – 11th September 2009
Contents

1 Objective

2 Mathematical modelling

3 Results

4 Conclusions

5 Future Research

1st International Oxyfuel Combustion Conference 4 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Mathematical models

Radiation Turbulent flow

Combustio
n model
Devolatilization Char
combustion

Volatile
Combustion

1st International Oxyfuel Combustion Conference 5 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Possibilities
P ibiliti off the
th detailed
d t il d sub-models
b d l
- P1
1. Radiation - Discrete Transfer Method (DTM)
- Discrete Ordinate Method (DOM)

- Single kinetic rate


2. Devolatilization - Two competing kinetic rate
- CPD (Chemical Percolation Devol.)

Volatile Reaction Mechanism


- Global 1-step, 2-step,3-step,4-step
3. Volatile Combustion - Detailed mechanism

Turbulent Gaseous Combustion


- Probability Density Function (PDF)
- Eddy Dissipation (EDM)
- Finite Rate/Eddy Dissipation (FR-ED)
- Eddy Dissipation Concept (EDC)

- Single kinetic rate


4. Char Combustion - Kinetic Diffusion/ Limited Rate
- Intrinsic

- Standard k- - Realized k-


5. Turbulent Flow - RNG k- - k- SST

1st International Oxyfuel Combustion Conference 6 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Formulation of numerical models (Steady state problem)

– R di ti
Radiation  P1 (CPU titime saving),
i ) WSGG (S
(Smith
ith TF.
TF 1982)

– Devolatilization  CPD (Chemical Percolation Devolatization)

– Volatile reaction mechanism  Global 3-step mechanism

– Turbulent gaseous combustion  Finite rate/Eddy dissipation (FR-ED)

– Char combustion Char + O2  Single kinetic rate (Macro kinetic)


Ch + CO2 & H2O  Ki
Char Kinetic/Diffusion
ti /Diff i lilimited
it d rate
t

– Turbulent flow  RNG k-

1st International Oxyfuel Combustion Conference 7 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Radiation : P1 model
– Weight Sum of Gray Gases (WSGG) model  gas absorption coefficients (a)

– Assume Coefficients for 3 gray gases (Smith TF. et. al. 1982) : Air-firing

 =  wi(T) [ 1 – e-ai s ] ; ai = i p

– Grayy formulation (Domain


( based approach)
pp )

• The mean beam length (s) : based on domain size

s = 3.6 V / A
• Global absorption coefficient
ai = a = - ln (1 -  ) / s (The whole spectrum)

1st International Oxyfuel Combustion Conference 8 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Devolatilization

- Kinetic parameter estimated by CPD model

Proximate & Ultimate Analysis CPD model (FLUENT)


Carbon (C) - initial fraction of bridges in the coal lattice, p0
Hydrogen (H) - initial fraction of char bridges, c0
Nitrogen (N) - lattice coordination number,+ 1
O
Oxygen (O) - cluster
l t molecular
l l weight,
i ht Mw,1
Volatile Matter (VM) - side chain molecular weight, Mw,
- Assump. of dry-ash-free basis (DAF)

1st International Oxyfuel Combustion Conference 9 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Volatile reaction mechanism

– Global simplified 3-step mechanism (Hautman. 1981)

CmHnOxNySz + ( m/2 + z – x/2 ) O2  m CO + (n/2) H2 + (y/2) N2 + z SO2

Hydrocarbon

CO + ½ O2  CO2

H2 + ½ O2  H2O

1st International Oxyfuel Combustion Conference 10 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Turbulent Gaseous Combustion


– Finite Rate/ Eddy Dissipation (FR-ED)
(FR ED)

The net rate of reaction


Ri = min (Ri, RiR, RiP )

1. The chemical production or depletion term (kinetic rate)


( i’’ - i’) Mw,i A T exp [ - E/ (RT)]
Ri = (

2. The rate of dissipation of reactant eddies


RiR = i’ Mw,i  (/k)
( /k) AR min
i [YR/ (
( R’ Mw,R)]

3. The rate of dissipation of product eddies


RiP = i’ Mw,i  (/k)
( /k) AP mP ; mP = PYP/ ( NJ j’’ Mw,j)

1st International Oxyfuel Combustion Conference 11 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Char combustion

– Char particles (C) react heterogeneously with O2, CO2, H2O

C + ½ O2  CO
CO + ½ O2  CO2

C + CO2  2CO

C + H2O  CO + H2 H2+ ½ O2  H2O

1st International Oxyfuel Combustion Conference 12 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Char combustion (Formulation of equations)

- Char oxidation : Single kinetic rate model


Rox = A e(-E/RT) TGA A, E

- Char react to CO2 and H2O: Baum & Street model (Field.
(Field 1969)
Over all rate

i = 1 for CO2
Ri = Ap Pbulk,i / (1/Rd,i + 1/Rk,i) = 2 for H2O

1 Diffusion rate of bulk gas


1. Rd,i = (Ci /dp) [(Tp+Tg)/2](0.75)

2. Kinetic rate of reaction Rk,i = Ai e(-E / RT)


i Mayers 1934 Ai , Ei

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Mathematical modelling

• Kinetic parameters of char oxidation:


(Rhenish lignite) (Lusatian lignite)
Ass mption :
Assumption Kinetic parameters  Kinetic parameters

Proximate Analysis ( %wt. as received) Ultimate Analysis (%wt. DAF)

Rhenish lignite Lusatian lignite Rhenish lignite Lusatian lignite


(RWTH Aachen) (BTU Cottbus) (RWTH Aachen) (BTU Cottbus)

Carbon 77.03 67.05


Volatiles 46 60
46.60 45 64
45.64
Hydrogen 4.85 6.95
Fixed C 40.90 33.24
Oxygen
yg 16.80
6 80 24.50
50
Moisture 8.40 15.62
Nitrogen 0.98 0.70
Ash 41
4.1 55
5.5 Sulfur 0 34
0.34 0 80
0.80

1st International Oxyfuel Combustion Conference 14 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Char combustion (Diffusion coefficient, Ci)

– Diff i coefficients
Diffusion ffi i t : Step
St off calculation
l l ti

1. Following the method of Hirschfelder. 1954  Dref

2. Applying Power law at operating temperature (T).  D

D = Dref (Pref/P)(Tm/Tref)(3/2)

3. Determine diffusion coefficient Ci and insert into CFD model

Rd,i = 24 D/(dp R Tm) = (Ci /dp) [(Tp+Tg)/2](0.75).

Ci

1st International Oxyfuel Combustion Conference 15 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Kinetic parameters of char reaction : Char + O2 , CO2, H2O


– Implemented via UDF-Function in FLUENT

Macro kinetic
Char+O2
parameters Computational model
(Single kinetic rate)
(TGA) & Operating conditions

UDF-Function

Calculation of
Char+CO
Ch +CO2 ,HH2O
Diffusion coefficients
(Kinetic/Diffusion rate)
(Ci)

N
Numerical
i l results
lt

1st International Oxyfuel Combustion Conference 16 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Turbulent Flow
Advantange
– RNG kk- model
- Improve accuracy for high swirling flow

- Transport equation of kinetic energy ‘k’


k
(k)/t+ (kui)/xi = [keff k/xj]/xj+Gk+Gb--Yk+Sk

- Transport equation of dissipation rate ‘’


()/t+ (ui)/xi = [eff /xj]/xj+C1(/k)(Gk+C3Gb)-C2(2/k)-R+S

Coefficients of Std. k- Coefficients of RNG k-


C = 0.09 RNG Theory C = 0.0845
C1 = 1.44 C1 = 1.42
C2 = 1.92 C2 = 1.68
k = 1.0
10 k = 1.393
1 393
 = 1.3  = 1.393

1st International Oxyfuel Combustion Conference 17 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Selected publication for numerical studies


– 100 kWth vertical pilot
pilot-scaled (Toporov. 2008)1
scaled furnace (Toporov

Data available from publication:

• Geometry of single swirling burner

• Operating
p g conditions

• Coal properties and particle distribution

• Measurements for numerical validation

[1] Toporov D., Bocian P., Heil P., Kellermann A., Stadler H., Tschunko S., Förster M., Kneer R.,
Detailed investigation of a pulverized fuel swirl flame in CO2/O2 atmosphere, Combustion and Flame,
Vol. 155, Issue 4, pages 605-618, 2008

1st International Oxyfuel Combustion Conference 18 Cottbus, Germany, 7th – 11th September 2009
Mathematical modelling

• Computational cells
– 100,000 grid cells
– 1/6 model with periodic boundary conditions
– FLUENT commercial software

3rd flow

2nd flow
1st flow
(Coal feed)
Staging
g g flow

1st International Oxyfuel Combustion Conference 19 Cottbus, Germany, 7th – 11th September 2009
Contents

1 Objective

2 Mathematical modelling

3 Results

4 Conclusions

5 Future Research

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Results

• Temperature profile (C, At symmetric plane)

Peak temperature zone Tmax  1480 C ( Higher than experiment )

• O2 Concentration (% dry by volume, At symmetric plane)

Border of flame shape O2 (exit)  2-3 %


(Acceptable accuracy)
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Results

• Numerical plot : Axial & Tangential velocity (m/s)

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Results

• Numerical plot : Temperature & O2 concentration(% dry Vol.)

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Contents

1 Objective

2 Mathematical modelling

3 Results

4 Conclusions

5 Future Research

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Conclusions

• Numerical model  predict results of lignite combustion


in an oxyfuel environment

• Necessary  determine spectral radiative properties


of g
gases in an oxyfuel
y conditions

• The
Th kinetic
ki ti parameters
t from
f TGA  Oxyfuel
O f l combustion
b ti

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Contents

1 Objective

2 Mathematical modelling

3 Results

4 Conclusions

5 Future Research

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Future Research

Kinetic/diffustion Intrinsic model


Char combustion

3-step 4-step Detailed mechanism


Volatile reaction
mechanism

Finite rate/Eddy dissipation Eddy Dissipation Concept


Turbulent g
gaseous
combustion

WSGG ((Air firing)


g) WSGG ((oxy
y firing)
g)
Radiation

Level of difficulty
y

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Acknowledgement
• Chair of Power Plant Technology
• International Graduate School
at Brandenburg
g University
y of Technology
gy Cottbus.

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