Molecular Dynamics Simulation of the Adsorption and Diffusion of a Single Hydrophobic Polymer Chain on a Hydrophobic Surface
文献类型：期刊论文
| 作者 | Mu D ; Zhou YH |
| 刊名 | acta physico-chimica sinica
 |
| 出版日期 | 2011 |
| 卷号 | 27期号:2页码:374-378 |
| 关键词 | 2 DIMENSIONS FORCE-FIELD FILMS BEHAVIOR COMPASS MODEL DNA |
| ISSN号 | 1000-6818 |
| 通讯作者 | mu d |
| 中文摘要 | the adsorption and diffusion of polyethylene (pe) with different degrees of polymerization (n) on a silicon (111) surface were studied by molecular dynamics simulations. the relative dielectric constant was selected to be 1 and 78 to mimic a vacuum and a solution environment, respectively. the chains were all present as two-dimensional (2d) adsorption conformation on the surface but different conformations and dynamic properties were found in the two absolutely different environments. this shows that the solvent plays an obvious role in the chain adsorption and diffusion processes on a hydrophobic surface. the relationship between the adsorption energy and the degree of polymerization follows a linear function and the average adsorption energy per segment is -0.38 kj . mol(-1). in addition, the diffusion coefficient (d) of these chains scales with the degree of polymerization as n(-3/2). |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 中文 |
| WOS记录号 | WOS:000286597200016 |
| 公开日期 | 2012-06-11 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/44849]  |
| 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 | Mu D,Zhou YH. Molecular Dynamics Simulation of the Adsorption and Diffusion of a Single Hydrophobic Polymer Chain on a Hydrophobic Surface[J]. acta physico-chimica sinica,2011,27(2):374-378. |
| APA | Mu D,&Zhou YH.(2011).Molecular Dynamics Simulation of the Adsorption and Diffusion of a Single Hydrophobic Polymer Chain on a Hydrophobic Surface.acta physico-chimica sinica,27(2),374-378. |
| MLA | Mu D,et al."Molecular Dynamics Simulation of the Adsorption and Diffusion of a Single Hydrophobic Polymer Chain on a Hydrophobic Surface".acta physico-chimica sinica 27.2(2011):374-378. |
入库方式： OAI收割
来源：长春应用化学研究所
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