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题名: Modeling development on the meso-scale reacting transport phenomena in proton exchange membrane fuel cells
作者: Yuan, Jianliang1;  Xiao, Yu2
关键词: CG-MD ;  Meso-scale ;  Reaction ;  Catalyst layer ;  Fuel cell
刊名: ACTA MECHANICA SINICA
发表日期: 2013-06-01
DOI: 10.1007/s10409-013-0046-x
卷: 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
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.
关键词[WOS]: SMOOTHED PARTICLE HYDRODYNAMICS ;  COARSE-GRAINED MODEL ;  MOLECULAR-DYNAMICS ;  CATALYST LAYER ;  SIMULATIONS ;  NANOCOMPOSITES ;  ELECTROCATALYSTS ;  MECHANICS ;  DIFFUSION ;  SYSTEMS
语种: 英语
WOS记录号: WOS:000323736400007
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/137676
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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