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 |
巻 | 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 |
ISSN | 0286-6013 |
NCID | AN00027831 |
SHI-NO | AA1640023006 |
URI | https://repository.exst.jaxa.jp/dspace/handle/a-is/571974 |