In this study, the nanocomposite of graphene and PMMA at the different volume fractions was investigated by molecular dynamics and dissipative particle dynamics simulations. The MD simulation can be performed to simulate the nanocomposite system at different weight fractions to obtain the different repulsive parameters. After obtaining the repulsive parameters, the DPD simulation can be utilized to study the equilibrium phase of graphene and PMMA nanocomposite. From our result, all equilibrium phases at different volume fractions are cluster. However, it is difficult to enhance the property for nanocomposite material due to the aggregated graphene (cluster). Hence, we change the interaction repulsive parameters to stand for the different degrees of functionalized graphene. When the interaction repulsive parameter is smaller than 80, the equilibrium phase is dispersion. In addition, the different number of functionalized garphene bead per graphene was studied, and results show that the equilibrium phase is dispersion when all graphene beads per graphene are functionalized.
| Identifer | oai:union.ndltd.org:NSYSU/oai:NSYSU:etd-0726112-220713 |
| Date | 26 July 2012 |
| Creators | Huang, Guan-Jie |
| Contributors | Jenn-Sen Lin, Jin-Yuan Hsieh, Hsiwen Yang, Shin-Pon Ju, Jeng-Han Wang |
| Publisher | NSYSU |
| Source Sets | NSYSU Electronic Thesis and Dissertation Archive |
| Language | Cholon |
| Detected Language | English |
| Type | text |
| Format | application/pdf |
| Source | http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0726112-220713 |
| Rights | user_define, Copyright information available at source archive |
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