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Modeling development on the meso-scale reacting transport phenomena in proton exchange membrane fuel cells
Yuan, Jianliang1; Xiao, Yu2
关键词Cg-md Meso-scale Reaction Catalyst Layer Fuel Cell
刊名ACTA MECHANICA SINICA
2013-06-01
DOI10.1007/s10409-013-0046-x
29期:3页:370-378
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Technology
类目[WOS]Engineering, Mechanical ; Mechanics
研究领域[WOS]Engineering ; Mechanics
关键词[WOS]SMOOTHED PARTICLE HYDRODYNAMICS ; COARSE-GRAINED MODEL ; MOLECULAR-DYNAMICS ; CATALYST LAYER ; SIMULATIONS ; NANOCOMPOSITES ; ELECTROCATALYSTS ; MECHANICS ; DIFFUSION ; SYSTEMS
英文摘要The catalyst layer (CL) of proton exchange membrane fuel cell (PEMFC) involves various particles and pores in meso-scale, which has an important effect on the mass, charge (proton and electron) and heat transport coupled with the electrochemical reactions. The coarse-grained molecular dynamics (CG-MD) method is employed as a mesoscale structure reconstruction technique to mimic the self-organization phenomena in the fabrication steps of a CL. The meso-scale structure obtained at the equilibrium state is further analyzed by molecular dynamic (MD) software to provide the necessary microscopic parameters for understanding of multi-scale and -physics processes in CLs. The primary pore size distribution (PSD) and active platinum (Pt) surface areas are also calculated and then compared with the experiments. In addition, we also highlight the implementation method to combine microscopic elementary kinetic reaction schemes with the CG-MD approaches to provide insight into the reactions in CLs. The concepts from CG modeling with particle hydrodynamics (SPH) and the problems on coupling of SPH with finite element modeling (FEM) methods are further outlined and discussed to understand the effects of the meso-scale transport phenomena in fuel cells.
语种英语
WOS记录号WOS:000323736400007
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/137676
专题中国科学院大连化学物理研究所
作者单位1.Lund Univ, Dept Energy Sci, S-22100 Lund, Sweden
2.Chinese Acad Sci, Dalian Inst Chem Phys, Fuel Cell Syst & Engn Lab, Dalian 116026, Peoples R China
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Yuan, Jianliang,Xiao, Yu. Modeling development on the meso-scale reacting transport phenomena in proton exchange membrane fuel cells[J]. ACTA MECHANICA SINICA,2013,29(3):370-378.
APA Yuan, Jianliang,&Xiao, Yu.(2013).Modeling development on the meso-scale reacting transport phenomena in proton exchange membrane fuel cells.ACTA MECHANICA SINICA,29(3),370-378.
MLA Yuan, Jianliang,et al."Modeling development on the meso-scale reacting transport phenomena in proton exchange membrane fuel cells".ACTA MECHANICA SINICA 29.3(2013):370-378.
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