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タイトルグラフェンのエポキシ樹脂中での分散シミュレーション
その他のタイトルDispersion Simulations of Graphene in Epoxy Resin
著者(日)山﨑, 昌悟; 小柳, 潤
著者(英)Yamazaki, Shogo; Koyanagi, Jun
著者所属(日)東京理科大学; 東京理科大学
著者所属(英)Tokyo University of Science; Tokyo University of Science
発行日2016-03-15
発行機関など金沢工業大学材料システム研究所
Materials System Research Laboratory, Kanazawa Institute of Technology
刊行物名材料システム
Materials System
34
開始ページ39
終了ページ44
刊行年月日2016-03-15
言語jpn
eng
抄録This paper simulates dispersion behavior of several types of graphene in epoxy resin. In general, mechanical properties of graphene composites are improved in range of low fraction of the graphene content; however, the mechanical properties with high fraction of the graphene content decrease due to aggregation of the nano-filler. It is an important issue how the graphene disperses in polymer matrix. The present study numerically simulates the dispersion of graphene, graphene oxide and aminated graphene in the epoxy resin by means of molecular dynamics (MD). Before that, molecular orbital (MO) method is employed to estimate the electrostatic potential of graphene and aminated graphene in order to give some information how the graphene themselves aggregate. MO results in that aminated graphene is expected to by electrostatic repulsion between the functional groups. A dissipative particle dynamics (DPD) is then employed to demonstrate how each graphene disperse. For the result, aminated graphene disperses in epoxy resin, because the graphene-graphene interaction is much less significant. This study calculates a relationship between goodness of dispersion and amine-functionalize ratio.
内容記述形態: 図版あり
Physical characteristics: Original contains illustrations
キーワード複合材料; 散逸粒子動力学法; 分子軌道法; グラフェン; 分散挙動; Composite Materials; Dissipative Particle Dynamics; Molecular Orbital Method; Graphene; Dispersion Behavior
資料種別Journal Article
NASA分類Composite Materials
ISSN0286-6013
NCIDAN00027831
SHI-NOAA1640023006
URIhttps://repository.exst.jaxa.jp/dspace/handle/a-is/571974


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