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Research Papers

Simulation of Surface Reactions and Multiscale Transport Processes in a Composite Anode Domain Relevant for Solid Oxide Fuel Cells

[+] Author and Article Information
Jinliang Yuan

Department of Energy Sciences,
Lund University,
Box 118,
22100 Lund, Sweden
e-mail: Jinliang.yuan@energy.lth.se

Guogang Yang

Marine Engineering College,
Dalian Maritime University,
Dalian 116026, China

Bengt Sunden

Department of Energy Sciences,
Lund University,
Box 118,
22100 Lund, Sweden

1Corresponding author.

Contributed by the Advanced Energy Systems Division of ASME for publication in the JOURNAL OF FUEL CELL SCIENCE AND TECHNOLOGY. Manuscript received February 23, 2011; final manuscript received December 10, 2012; published online March 21, 2013. Assoc. Editor: Jacob Brouwer.

J. Fuel Cell Sci. Technol 10(2), 021001 (Mar 21, 2013) (8 pages) Paper No: FC-11-1035; doi: 10.1115/1.4023540 History: Received February 23, 2011; Revised December 10, 2012

There are various transport phenomena (gas-phase species, heat, and momentum) occurring at different length scales in anode-supported solid oxide fuel cells (SOFCs), which are strongly affected by catalytic surface reactions at active triple-phase boundaries (TPBs) between the void space (for gas), Ni (catalysts for electrons), and YSZ (an electrolyte material for ions). To understand the multiscale chemical-reacting transport processes in the cell, a three-dimensional numerical calculation approach (the computational fluid dynamics (CFD) method) is further developed and applied for a composite domain including a porous anode, fuel gas flow channel, and solid interconnect. By calculating the rate of microscopic surface-reactions involving the surface-phase species, the gas-phase species/heat generation and consumption related to the internal reforming reactions have been identified and implemented. The applied microscopic model for the internal reforming reactions describes the adsorption and desorption reactions of six gas-phase species and surface reactions of 12 surface-adsorbed species. The predicted results are presented and analyzed in terms of the gas-phase species and temperature distributions and compared with those predicted by employing the global reaction scheme for the internal reforming reactions.

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Figures

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Fig. 1

Schematic drawing of a composite anode domain in SOFCs

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Fig. 2

Distribution of the temperature along the main flow stream predicted by: (a) the global reaction scheme, and (b) the multistep heterogeneous reaction scheme

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Fig. 3

Distribution of CH4 along the main flow stream predicted by: (a) the global reaction scheme, and (b) the multistep heterogeneous reaction scheme

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Fig. 4

Distribution of H2 along the main flow stream predicted by: (a) the global reaction scheme, and (b) the multistep heterogeneous reaction scheme

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Fig. 5

Distribution of: (a) the steam reforming reaction rate Rr, and (b) the water-gas shift reaction rate Rs along the main flow direction predicted by the global reaction model

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Fig. 6

Distribution of the catalytic reaction rates for the gas-phase species: (a) H2, (b) CH4, (c) H2O, and (d) CO along the main flow direction, predicted by the multistep heterogeneous reaction scheme

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Fig. 7

(a) The fraction of Nis vacancies, and (b) surface coverage of Hs along the main flow direction, predicted by the multistep heterogeneous reaction scheme

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