화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2006년 가을 (10/27 ~ 10/28, 고려대학교)
권호 12권 2호, p.2440
발표분야 재료
제목 Prediction for Solvent Effect on Crystal Morphology of an Energetic Material by a Molecular Modeling Technique
초록 Final performance of high energy density explosives depends on shape, particle size and packing density of molecular explosives. Those factors may be modified by control of nucleation and crystal growth conditions such as crystallization methods, solvents, additives, etc.. In the present study, a cooling method was used for the observation of morphological change of ADNBF (7-amino-4, 6-dinitrobenzofuroxan) crystals with various solvents. Crystal surface properties and interactions between ADNBF molecule on crystal surfaces and each solvent were investigated and interpreted by the molecular modeling software Materials Studio 4.0.
저자 이주현, 구기갑
소속 서강대
키워드 molecular modeling; crystallization; morphology
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