JAXA Repository / AIREX 未来へ続く、宙(そら)への英知
Other TitleDispersion Simulations of Graphene in Epoxy Resin
Author(jpn)山﨑, 昌悟; 小柳, 潤
Author(eng)Yamazaki, Shogo; Koyanagi, Jun
Author Affiliation(jpn)東京理科大学; 東京理科大学
Author Affiliation(eng)Tokyo University of Science; Tokyo University of Science
Issue Date2016-03-15
Materials System Research Laboratory, Kanazawa Institute of Technology
Publication title材料システム
Materials System
Start page39
End page44
Publication date2016-03-15
AbstractThis 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.
Description形態: 図版あり
Physical characteristics: Original contains illustrations
Keywords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
Document TypeJournal Article
NASA Subject CategoryComposite Materials

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