Dissipative particle dynamics simulation on the meso-scale structure of diblock copolymer under cylindrical confinement
文献类型：期刊论文
| 作者 | Xu, J. -B.; Wu, H.; Lu, D. -Y; He, X. -F.; Zhao, Y-H.; Wen, H. |
| 刊名 | MOLECULAR SIMULATION
 |
| 出版日期 | 2006-04-30 |
| 卷号 | 32期号:5页码:357-362 |
| 关键词 | block copolymer dissipative particle dynamics solid boundary condition meso-scale simulation confinement |
| ISSN号 | 0892-7022 |
| 其他题名 | Mol. Simul. |
| 中文摘要 | The meso-scale structure of symmetric diblock copolymer under cylindrical confinement is studied by dissipative particle dynamics (DPD). The simulation results show that coiled cylindrical geometry is favored in the presence of larger cylinder radius (R/L-0 > similar to 1.5), and the number of rings depends on the cylinder radius. Because of the cylinder wall's selectivity, each block can form the central core, but only the preferential block forms the outmost layer. An approximately linear relationship exists between structure transition point, which is approximately in proportion to the 3/5 exponential of chain length of copolymer and number of layers. As the cylinder radius is decreased, a helical morphology is found. Lamellae parallel to the underside of the cylinder appear when the cylinder radius is made smaller (R/L-0 < similar to 1.1). |
| 英文摘要 | The meso-scale structure of symmetric diblock copolymer under cylindrical confinement is studied by dissipative particle dynamics (DPD). The simulation results show that coiled cylindrical geometry is favored in the presence of larger cylinder radius (R/L-0 > similar to 1.5), and the number of rings depends on the cylinder radius. Because of the cylinder wall's selectivity, each block can form the central core, but only the preferential block forms the outmost layer. An approximately linear relationship exists between structure transition point, which is approximately in proportion to the 3/5 exponential of chain length of copolymer and number of layers. As the cylinder radius is decreased, a helical morphology is found. Lamellae parallel to the underside of the cylinder appear when the cylinder radius is made smaller (R/L-0 < similar to 1.1). |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 研究领域[WOS] | Chemistry ; Physics |
| 关键词[WOS] | MONTE-CARLO SIMULATIONS ; THIN-FILMS ; BLOCK-COPOLYMERS ; EQUILIBRIUM PROPERTIES ; MICROPHASE SEPARATION ; PATTERNED SURFACES ; MELTS ; DISTORTIONS ; MORPHOLOGY |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000239688000004 |
| 公开日期 | 2013-10-24 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/3951]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, Multiphase React Lab, Beijing 100080, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, J. -B.,Wu, H.,Lu, D. -Y,et al. Dissipative particle dynamics simulation on the meso-scale structure of diblock copolymer under cylindrical confinement[J]. MOLECULAR SIMULATION,2006,32(5):357-362. |
| APA | Xu, J. -B.,Wu, H.,Lu, D. -Y,He, X. -F.,Zhao, Y-H.,&Wen, H..(2006).Dissipative particle dynamics simulation on the meso-scale structure of diblock copolymer under cylindrical confinement.MOLECULAR SIMULATION,32(5),357-362. |
| MLA | Xu, J. -B.,et al."Dissipative particle dynamics simulation on the meso-scale structure of diblock copolymer under cylindrical confinement".MOLECULAR SIMULATION 32.5(2006):357-362. |
入库方式： OAI收割
来源：过程工程研究所
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