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CD-Laboratory for Chemical Engineering at High Temperatures

Fluidized Bed Conversion – A Challenge for Simulation Franz Winter

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Fluidized Bed Reactors gas – solid contact

Grace et al. 1997

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Circulating Fluidized Bed Reactors complex two-phase flow

Horio et al. 1997

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Fluidized Bed Boilers

Kaiser et al. 2004

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Solid Fuel Combustion complex chemistry 200

4

160 3

120

NO

N2O 2

Char Combustion

HCN

CO2

80

1 40

0

0 0

200

400

600

800

1000

1200

1400

1600

1800

time [s]

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2000

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Solid Fuel Combustion complex chemistry NO

NCO hom.

hom. hom. HCN

N2O NO hom.

hom. TAR - N

N2O NO

hom.

hom.

hom.

N2O

hom.

NH3

N2

hom. hom. het. VOLATILE N

N2O NO

Char Surface het. CHAR - N

hom.

NO hom. HCN hom.

FUEL - N

hom.

NCO

hom.

hom. NH3

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Solid Fuel Combustion CO oxidation - main reactions • CO – Oxidation: – Initiation H2O O2 + M – Propagation CO + OH – chain H + O2 O + H2O – Termination CO + O H + O2 + M

= =

OH + H 2O+M

=

CO2 + H

= =

OH + O 2 OH

= =

CO2 HO2 + M

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CD-Laboratory for Chemical Engineering at High Temperatures CH4 +O, +H, +OH

Solid Fuel Combustion

+O

+H

+HO2

CH3

CH3O +H +O

CH4 oxidation reaction paths

+OH

+O CH2O

CH2(S)

C2H6 +O, +H, +OH +O2

+H

+O2

+N2 +H

+O HCO

+O

C2H5

CH

CH2

+O2 +O2 +O2 +O2 CH2CHO CO

C2H4

+O

+OH

CH2CO

+O2 CO2

C2H3

+H

+H

+O2

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Chemistry – problems with different time scales

time scales for chemical reactions (10-10s to >1s )

Warnatz et al. 2001

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Chemistry – problems with different time scales are there two or more different scales (time) of the independent variable on which the dependent variables are changing:

=> stiffness occures.

example of an instability encountered in integrating a stiff equation (schematic).

=> implicit integration methods Press et al. 1992

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Example: CFD Model for Ash Deposition Aim: Prediction of the Location of Ash Deposition

Müller et al. 2003, 17-FBC Institute of Chemical Engineering

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Example: CFD Model for Ash Deposition - Turbulence: k-ε model - Radiative heat transfer: discrete ordinate model - Turbulence chemistry interaction: Eddy-Dissipation Combustion Model - Software: Fluent

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Example: CFD Model for Ash Deposition Chemistry • 4-Step Approach: CxHyOz + aO2

=

CxHyOz + eH2O=

bCO + cH2 + dH2O fCO + gH2 + hH2O

H2 + 0.5O2

=

H2O

CO + H2O

=

CO2 + H2

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Example: CFD Model for Ash Deposition Meshing: structured - unstructured

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Example: CFD Model for Ash Deposition Mass flows: bed and freeboard, fuel split

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Example: CFD Model for Ash Deposition CO Distribution

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Example: CFD Model for Ash Deposition Temperature Distribution

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Example: CFD Model for Ash Deposition Ash Particle Hitting Maps

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Example: Semi-Empirical Models

Aims: - Prediction of NO Emissions - Effect of Particle Size

Kallio et al. 2004, 11-Fluidization Institute of Chemical Engineering

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Example: Semi-Empirical Models - Flow and mixing simplified - Zones defined

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Example: Semi-Empirical Models NO Profiles comparison with measurements

Different models considered: A – Attrition, SF – Sec. Fragmentation

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Example: CFD Simulation of a Single Bubble Visual observations of bubble flow cold conditions sand bed

Peirano et al. 2002, Powder Technology Institute of Chemical Engineering

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Example: CFD Simulation of a Single Bubble Eulerian model: - gas-phase (continuous phase): Turbulence: k-ε model - particle-phase (discrete phase): kinetic theory of granular flow

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Example: CFD Simulation of a Single Bubble

Calculation time: - 500 hours on a CRAY 90 for 20 s of real time with 2.3x105 nodes

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Example: CFD Simulation of a Single Bubble

Calculated particle volume fraction

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Example: CFD Simulation of a Single Bubble Calculated and measured pressure spectra for high pressure drop distributer

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Example: CFD Simulation of a Single Bubble Calculated and measured pressure spectra for low pressure drop distributer

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Example: CFD Simulation of a Single Bubble

Time averaged gas velocity field for low pressure drop distributer

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Conclusions • The current status is: - CFD simulation of two-phase flow is very limited - Flow is simplified with semi-empirical zone models - Chemistry is simplified, reduced models are used - Heat transfer is simplified based on Nusselt number

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Conclusions • Future challenges are: - Simulation of full chemistry - Development of reduced mechanisms - CFD simulation of two-phase flow - Heat transfer models (based on local flow conditions)

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Thank you for your attention!

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Conference on Small-scale Combustion 18-20 November 2004, Vienna

www.semaco.co.at/dvv

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