Molecular Dynamics Simulation and Static Properties of Flexible Dendrimers in Solution
文献类型：期刊论文
| 作者 | Zhang GL ; Lu YY ; Song JH ; Shi TF |
| 刊名 | chemical journal of chinese universities-chinese
 |
| 出版日期 | 2010 |
| 卷号 | 31期号:1页码:199-204 |
| 关键词 | EXCLUDED-VOLUME CONDITIONS VARYING QUALITY MONTE-CARLO MORPHOLOGY SOLVENTS MODEL SIZE |
| ISSN号 | 0251-0790 |
| 通讯作者 | shi tf |
| 中文摘要 | we have performed molecular dynamics simulation to study the structural and dynamic properties of flexible dendrimers in athermal solvent. for dendrimers' size, simulation results show that radius of gyration r-g can be fitted by the scaling law r-g similar to n-1/5 (g+1)(2/5) p-2/5. as the generation number increases, the calculated static structure factor approaches that of hard sphere, which reflects a transition of internal structure from "starlike" to "hard-sphere-like" conformation. as dendrimers' generation number and spacer length increase, there exists the distinct region, in which monomer density is almost constant. the back-folding ability of the dendrimers increases as spacer length increases but decreases as generation number increases. each shell of dendrimers has different mobility. compared with the interior of dendrimers, the outer shells show slower diffusion behavior within a shorter time but faster relaxation. the monomer motions exhibit a scaling that is much closer to zimm than rouse exponents. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 中文 |
| WOS记录号 | WOS:000274167500039 |
| 公开日期 | 2012-06-07 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/43945]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zhang GL,Lu YY,Song JH,et al. Molecular Dynamics Simulation and Static Properties of Flexible Dendrimers in Solution[J]. chemical journal of chinese universities-chinese,2010,31(1):199-204. |
| APA | Zhang GL,Lu YY,Song JH,&Shi TF.(2010).Molecular Dynamics Simulation and Static Properties of Flexible Dendrimers in Solution.chemical journal of chinese universities-chinese,31(1),199-204. |
| MLA | Zhang GL,et al."Molecular Dynamics Simulation and Static Properties of Flexible Dendrimers in Solution".chemical journal of chinese universities-chinese 31.1(2010):199-204. |
入库方式： OAI收割
来源：长春应用化学研究所
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