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The Membrane Society of Korea (한국막학회)
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Study of Miscibility of Natural Silk by Molecular Dynamics Calculation of Solubility Parameter

용해도 파라미터의 분자동역학 계산을 통한 천연 실크 소재의 혼화성 연구

  • Im, Keunan (Department of Energy Engineering, Future Convergence Technology Research Institute, Gyeongsang National University) ;
  • Choi, Kang-min (BJ Silk) ;
  • Leem, Jung Woo (Weldon School of Biomedical Engineering, Purdue University) ;
  • Kim, Young L. (Weldon School of Biomedical Engineering, Purdue University) ;
  • Park, Chi Hoon (Department of Energy Engineering, Future Convergence Technology Research Institute, Gyeongsang National University) ;
  • Jang, Hae Nam (Department of Energy Engineering, Future Convergence Technology Research Institute, Gyeongsang National University)
  • 임근안 (경상국립대학교 미래융복합기술연구소 에너지공학과) ;
  • 최강민 (비이제이실크) ;
  • 임정우 (퍼듀대학교 바이오메디컬공학과) ;
  • 김영래 (퍼듀대학교 바이오메디컬공학과) ;
  • 박치훈 (경상국립대학교 미래융복합기술연구소 에너지공학과) ;
  • 장해남 (경상국립대학교 미래융복합기술연구소 에너지공학과)
  • Received : 2021.04.14
  • Accepted : 2021.04.25
  • Published : 2021.04.30
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Abstract

In recent years, polymer membranes, which are actively used in various industrial fields, have the advantage of being able to impart unique properties through the control of chemical structures and physical properties in the film-fabrication process, as well as through fabricating blend membranes mixed with various materials. In this study, the solubility parameter, which can be used as an index of miscibility with other materials, was calculated using molecular dynamics using a silkworm (Bombyx mori) silk polymer which has a wide potential to be used as an eco-friendly natural material. When the solubility parameter of polyvinylalcohol (PVA), which is also environmentally friendly and biocompatible, was calculated by molecular dynamics and compared with each other, it was confirmed that the two polymer materials had similar solubility parameter values. In conclusion, it was theoretically proved that the two polymers could blend well with each other, which was confirmed through experiments.

최근 들어 여러 산업 분야에 활발히 사용되고 있는 고분자 분리막은 화학구조의 제어나 제막공정에서의 물리적 특성 제어뿐만 아니라 다양한 소재와 혼합된 복합막 제조를 통해서 고유의 특성을 부여할 수 있는 장점을 가지고 있다. 본 연구에서는 분리막 제조 시에 누에(Bombyx mori)가 생산한 친환경 천연소재로 활용 가능성이 넓은 실크 고분자의 복합막 제조 시 다른 소재와의 혼화성 지표로 사용할 수 있는 용해도 파라미터를 분자동역학을 이용하여 계산하였다. 역시 친환경성 및 생체적합성을 갖고 있는 polyvinylalcohol (PVA)의 용해도 파라미터를 분자동역학을 이용하여 계산 후 서로 비교하였을 때 두 고분자 소재가 비슷한 용해도 파라미터 값을 갖는 것을 확인하였다. 결론적으로, 두 고분자가 서로 잘 혼합될 수 있음을 이론적으로 증명하였고, 실제 실험을 통해서도 이를 확인할 수 있었다.

Keywords

Acknowledgement

본 논문은 2020년도 교육부의 재원으로 한국연구재단의 지원을 받아 수행된 지자체-대학 협력기반 지역혁신 사업의 결과입니다.

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