Membrane Journal (멤브레인)

The Membrane Society of Korea (한국막학회)
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Synthesis of Highly Selective Polyimide Material and Comparison of Gas Permeability by Molecular Dynamics Study

고선택성 폴리이미드 소재의 합성 및 분자동력학 연구를 통한 기체투과도의 비교

  • Lee, Jung Moo (Department of Materials Engineering and Convergence Technology, Engineering Research Institute, Gyeongsang National University) ;
  • Kim, Deuk Ju (Department of Materials Engineering and Convergence Technology, Engineering Research Institute, Gyeongsang National University) ;
  • Jeong, Moon Ki (Department of Materials Engineering and Convergence Technology, Engineering Research Institute, Gyeongsang National University) ;
  • Lee, Myung Gun (Aekyung Petrochemical Co., LTD.) ;
  • 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)
  • 이정무 (경상대학교 나노신소재융합공학과, 공학연구원) ;
  • 김득주 (경상대학교 나노신소재융합공학과, 공학연구원) ;
  • 정문기 (경상대학교 나노신소재융합공학과, 공학연구원) ;
  • 이명건 (애경유화 중앙연구소) ;
  • 박치훈 (경남과학기술대학교 에너지공학과) ;
  • 남상용 (경상대학교 나노신소재융합공학과, 공학연구원)
  • Received : 2015.04.16
  • Accepted : 2015.04.22
  • Published : 2015.04.30
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Abstract

In this study, gas permeability of polyimide materials having a various amine group was measured and molecular dynamics was used to analyze the dynamic characteristics of the gas molecules in the polyimide by calculating the position and velocity of the gas molecules with change of the time. The gas permeability of polyimide membrane having substitution site which increase free volume in the polymer was increased. However, polyimide with rigid structure showed decreased gas permeability. As a result of analyzing the change in the gas permeation behavior using molecular dynamics simulations, we confirmed that the results show the same tendency with actual measurements of the gas permeability.

본 연구에서는 다양한 아민기를 가지는 폴리이미드 소재 및 분리막을 제조하여 그들의 구조의 변화에 따른 기체 투과도를 측정하였으며 동력학(Molecular dynamics; MD) 기술을 이용하여 해당 기체의 시간의 변화에 따른 위치와 속도를 계산하여, 기체분자의 동적 특성을 분석하는데 활용하였다. 투과도 측정결과 합성된 고분자 소재의 경우 고분자 내의 free volume을 증가시키는 치환기를 도입시켰을 경우 기체투과도가 증가되었으나 rigid한 구조가 도입된 폴리이미드는 투과도가 감소되는 경향을 확인하였다. 또한 분자동력학 시뮬레이션을 이용하여 기체투과거동 변화를 분석한 결과 실제 기체투과도 측정결과와 유사한 결과를 나타냄을 확인할 수 있었다.

Keywords

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