| 학회 |
한국공업화학회 |
| 학술대회 |
2012년 가을 (10/31 ~ 11/02, 대전컨벤션센터) |
| 권호 |
16권 2호 |
| 발표분야 |
우수논문발표(구두) |
| 제목 |
Mesoscopic modeling of graphene nanosheet and its self-assembly behavior in surfactant solution by dissipative particle dynamics simulation |
| 초록 |
A coarse-grained (CG) graphene model for dissipative particle dynamics (DPD) was proposed by grouping six carbon atoms into a CG bead with bond stretch and angle bend restraints in order to investigate the self-assembly of graphene nanosheet in surfactant solution. The additional bond and angle bend constants was calibrated by structural characteristics analysis. The self-assembly phenomena of a graphene nanosheet with a micelle consisting of CG sodium dodecyl sulphate (SDS) surfactant as well as with surfactant molecules were observed. In particular, the DPD simulations with surfactant concentration were performed to confirm the equilibrium structure of graphene/SDS surfactants. |
| 저자 |
민사훈, 이충현, 장정식
|
| 소속 |
서울대 |
| 키워드 |
Graphene; Dissipative particle dynamics; Simulation
|
| E-Mail |
|
