期刊名称：Bulletin of the Institute of Heat Engineering
印刷版ISSN：2083-4187
出版年度：2016
卷号：96
期号：3
页码：178
语种：English
出版社：Warsaw University of Technology
摘要：Microstructure is one of the major factors influencing material properties. It is especially important for open-porous materialsdedicated to catalytic applications, where fraction of pores, their size distribution and specific surface influence the diffusion ofreactants and the kinetics of catalytic reactions. In these studies the numerical models of the microstructure of open-porouselectrodes for molten carbonate fuel cell (MCFC) are presented. The models presented here simulate fabrication routes forreal materials, including mixing of powders, tape casting and sintering processes. The substrate powders are represented byspheres with defined size distribution. Mixing and compaction of powders with polymeric binder is simulated by a granularmodel implemented in LAMMPS code. In the next step the polymeric phase represented by fine particles and larger porogenaddition is removed to form pores. The sintering process is simulated by geometry smoothing, which results in sphereaggregation. The models presented here were compared with micro computed tomography (CT) 3D images of real MCFCmaterials. Quantitative analysis of CT images was performed and it was demonstrated that algorithms used in these studiesmake it possible to design materials with the desired porous microstructure.
其他摘要：Microstructure is one of the major factors influencing material properties. It is especially important for open-porous materials dedicated to catalytic applications, where fraction of pores, their size distribution and specific surface influence the diffusion of reactants and the kinetics of catalytic reactions. In these studies the numerical models of the microstructure of open-porous electrodes for molten carbonate fuel cell (MCFC) are presented. The models presented here simulate fabrication routes for real materials, including mixing of powders, tape casting and sintering processes. The substrate powders are represented by spheres with defined size distribution. Mixing and compaction of powders with polymeric binder is simulated by a granular model implemented in LAMMPS code. In the next step the polymeric phase represented by fine particles and larger porogen addition is removed to form pores. The sintering process is simulated by geometry smoothing, which results in sphere aggregation. The models presented here were compared with micro computed tomography (CT) 3D images of real MCFC materials. Quantitative analysis of CT images was performed and it was demonstrated that algorithms used in these studies make it possible to design materials with the desired porous microstructure.
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