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  • 02월 23일 15시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

The Effect of FRs’ Structure on the Diffusion and Molecular Interactions in Polycarbonate Melts : Atomic-scale Simulations

등록일
2009년 2월 12일 15시 12분 32초
접수번호
1271
발표코드
32P89포 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
금 <발표Ⅳ>
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
정현태, 권계민, 윤동환, 조은석1, 신관우2, 성봉준
서강대학교 화학과, Korea
1삼성종합기술원, Korea
2서강대학교 화학과 및 바이오융합과정, Korea
Diffusion of flame retardants (FRs) and interaction between FR and polycarbonate polymer in polycarbonate melts are studied using molecular dynamics simulations. For protecting life and properties, FRs have been added to most commodity polymer materials to prevent fire. Although most FRs developed so far, they are harmful chemicals, which is why it is essential developing new FRs that are safe and efficient. In order to develop such a new FR, it is necessary to understand the behavior of FRs in polymer melts at a molecular level, especially the diffusion and molecular interactions. For example, if FRs diffuse fast at a room temperature and are easily released from the melts, FRs become unsafe to the human health. In other word, if FRs diffuse too slowly at an ignition temperature, its performance should be hampered tremendously. We report an atomistic molecular simulation study for a few kinds of FRs in polycarbonate melts and discuss the effect of FRs’ structure on the diffusion and molecular interactions.

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