| 摘要: |
| 运用二维的键长涨落模型和蒙特卡洛方法研究高分子链从一个受限空间到自由空间穿孔过程中，链单体与纳米孔之间的相互作用.结果表明，在不同的链长和纳米孔交互作用下，高分子链成功穿越自由能能垒取决于链长和纳米孔长度，并且由于交互作用降低了自由能能垒，导致高分子链在纳米管的平均捕获时间缩短. |
| 关键词: 键长涨落模型，高分子穿越，自由能势垒，相互作用 |
| DOI：10.1088/1674-0068/23/03/313-316 |
| 分类号: |
| 基金项目: |
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| Effect of Interaction upon Translocation of Confined Polymer Chain Through Nanopore |
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Yao Wang, Yong-jun Xie, Hai-yang Yang*, Xing-yuan Zhang*
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Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei
230026, China
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| Abstract: |
| The effect of the interaction between nanopore and chain monomer on the translocation of a single polymer chain confined in a finite size square through an interacting nanopore to a large space has been studied by two-dimensional bond fluctuation model with Monte Carlo simulation. Results indicate that the free energy barrier before the successful translocation of the chain depends linearly on the chain length as well as the nanopore length for different pore-polymer interaction, and the attractive interaction reduces the free energy barrier, leading to the reduction of the average trapping time. |
| Key words: Monte Carlo simulation, Polymer translocation, Interaction, Free energy barrier |
附件 |
