Dissipative Particle Dynamics Simulation of the Phase Behavior of T-shaped Ternary Amphiphiles Possessing Long Rod-like Mesogens
文献类型：期刊论文
| 作者 | Liu Xiaohan; Guo Hongxia |
| 刊名 | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
 |
| 出版日期 | 2014-02-10 |
| 卷号 | 35期号:2页码:440-448 |
| 关键词 | T-shaped Ternary Amphiphilie Phase Behavior Dissipative Particle Dynamics Simulation |
| ISSN号 | 0251-0790 |
| DOI | 10.7503/cjcu20130583 |
| 英文摘要 | Using dissipative particle dynamics simulations, a phase diagram in terms of temperature and lateral chain length was established, related structural parameters and the effective volume fraction of lateral chains f(L) related to each mesophase were calculated. The experimentally observed pentagonal, hexagonal columnar phase and the lamellar phase where rods are stacked with in-plane order are firstly reproduced. The results show that the phase sequence and structures in the diagram of T-shaped ternary amphiphilies with long rod-like mesogens agree well with previous reports, the effective volume fraction of lateral chains f(L) related to each mesophase is also quantitatively consistent with the experimental value. These combined results demonstrate that the coarse graining model in our simulation reflects essential structural features of T-shaped real molecules like molecular topology, excluded volume effects, tendency to phase separation, the length-to-width ratio of rod liquid crystal unit and the spatial effects of lateral chains, and they also confirm the fact that the size of lateral chains plays an important role in affecting the self-assembled structures of nonlinear systems and the distribution of each constituent. |
| 语种 | 英语 |
| WOS记录号 | WOS:000332918400039 |
| 出版者 | HIGHER EDUCATION PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/52069]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Guo Hongxia |
| 作者单位 | Chinese Acad Sci, Inst Chem, State Key Lab Polymer Phys & Chem, BNLMS, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu Xiaohan,Guo Hongxia. Dissipative Particle Dynamics Simulation of the Phase Behavior of T-shaped Ternary Amphiphiles Possessing Long Rod-like Mesogens[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2014,35(2):440-448. |
| APA | Liu Xiaohan,&Guo Hongxia.(2014).Dissipative Particle Dynamics Simulation of the Phase Behavior of T-shaped Ternary Amphiphiles Possessing Long Rod-like Mesogens.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,35(2),440-448. |
| MLA | Liu Xiaohan,et al."Dissipative Particle Dynamics Simulation of the Phase Behavior of T-shaped Ternary Amphiphiles Possessing Long Rod-like Mesogens".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 35.2(2014):440-448. |
入库方式： OAI收割
来源：化学研究所
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