Membrane Journal (멤브레인)

The Membrane Society of Korea (한국막학회)
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Molecular Dynamics (MD) Study of Proton Exchange Membranes for Fuel Cells

연료전지용 수소이온 교환막의 분자동역학 연구

  • Park, Chi Hoon (Department of Energy Engineering, Gyeongnam National University of Science and Technology (GNTECH)) ;
  • Nam, Sang Yong (Department of Materials Engineering and Convergence Technology, Engineering Research Institute, Gyeongsang National University) ;
  • Hong, Young Taik (Center for Membranes, Korea Research Institute of Chemical Technology (KRICT))
  • 박치훈 (경남과학기술대학교(GNTECH) 에너지공학과) ;
  • 남상용 (경상대학교 나노신소재융합공학과, 공학연구원) ;
  • 홍영택 (한국화학연구원 분리막 연구센터)
  • Received : 2016.09.06
  • Accepted : 2016.09.10
  • Published : 2016.10.31
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Abstract

Proton exchange membrane (PEM) is one of the key components of membrane-electrode assembly (MEA), which plays important role in fuel cell performance together with catalysts. It is widely accepted that water channel morphology inside PEMs as a proton pathway significantly affects the PEM performance. Molecular dynamics (MD) simulations are a very useful tool to understand molecular and atomic structures of materials, so that many related researches are currently being studied. In this paper, we summarize the current research trend in MD simulations, present which properties can be characterized, and finally introduce the usefulness of MD simulations to the researchers for proton exchange membranes.

수소이온 교환막(PEM; Proton Exchange Membrane)은 연료전지 막-전극 복합체(MEA; Membrane-electrode Assembly)를 구성하는 핵심 소재 중 하나로서, 촉매와 함께 연료전지 성능을 결정하는 중요한 역할을 한다. 이러한 수소이온교환막의 성능은 내부에 존재하는 수소이온 전달 통로인 수화 채널의 구조에 큰 영향을 받는 것으로 알려져 있다. 분자 동역학(MD; Molecular Dynamics) 전산모사 기술은 이러한 소재 내부의 분자 및 원자구조를 파악하기 위한 유용한 도구로서, 수소이온 교환막의 구조 및 특성에 관한 많은 관련 연구가 진행되고 있다. 본 총설에서는 분자동역학 전산모사 관련 연구에 대한 동향을 정리하고, 이를 통해 어떤 구조적 특징들을 분석할 수 있는지 제시하여, 수소이온 교환막 연구자들과 분리막 연구자들에게 분자동역학 전산모사 기술의 유용성에 대하여 소개하고자 한다.

Keywords

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