CD-Laboratory for Chemical Engineering at High Temperatures
Fluidized Bed Conversion – A Challenge for Simulation Franz Winter
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Fluidized Bed Reactors gas – solid contact
Grace et al. 1997
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Circulating Fluidized Bed Reactors complex two-phase flow
Horio et al. 1997
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Fluidized Bed Boilers
Kaiser et al. 2004
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
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]
Institute of Chemical Engineering
2000
CD-Laboratory for Chemical Engineering at High Temperatures
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
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
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
Institute of Chemical Engineering
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
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Chemistry – problems with different time scales
time scales for chemical reactions (10-10s to >1s )
Warnatz et al. 2001
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
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
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: CFD Model for Ash Deposition Aim: Prediction of the Location of Ash Deposition
Müller et al. 2003, 17-FBC Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
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
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
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
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: CFD Model for Ash Deposition Meshing: structured - unstructured
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: CFD Model for Ash Deposition Mass flows: bed and freeboard, fuel split
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: CFD Model for Ash Deposition CO Distribution
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: CFD Model for Ash Deposition Temperature Distribution
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: CFD Model for Ash Deposition Ash Particle Hitting Maps
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: Semi-Empirical Models
Aims: - Prediction of NO Emissions - Effect of Particle Size
Kallio et al. 2004, 11-Fluidization Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: Semi-Empirical Models - Flow and mixing simplified - Zones defined
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: Semi-Empirical Models NO Profiles comparison with measurements
Different models considered: A – Attrition, SF – Sec. Fragmentation
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
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
CD-Laboratory for Chemical Engineering at High Temperatures
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
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
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
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: CFD Simulation of a Single Bubble
Calculated particle volume fraction
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: CFD Simulation of a Single Bubble Calculated and measured pressure spectra for high pressure drop distributer
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: CFD Simulation of a Single Bubble Calculated and measured pressure spectra for low pressure drop distributer
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Example: CFD Simulation of a Single Bubble
Time averaged gas velocity field for low pressure drop distributer
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
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
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
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)
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Thank you for your attention!
Institute of Chemical Engineering
CD-Laboratory for Chemical Engineering at High Temperatures
Conference on Small-scale Combustion 18-20 November 2004, Vienna
www.semaco.co.at/dvv
Institute of Chemical Engineering