中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Computer simulations of a model polymer chain near a surface

文献类型:期刊论文

作者Li, XY; Tang, B; Wu, DC; Zhao, DL
刊名ACTA POLYMERICA SINICA
出版日期2001-06-01
期号3页码:378-382
关键词Computer Simulations Normal Random Walk Self-avoiding Walk Confined Polymer Hard Barrier
ISSN号1000-3304
英文摘要By means of the normal random walk (NRW) and self-avoiding walk (SAW) as the models of a polymer chain, the conformational properties of a polymer chain near an impenetrable plane were investigated, which gave the conformational entropy and chain size as functions of z(0), the distance of one chain end to the plane. The computer simulation techniques used include the exact enumeration and Monte Carlo simulation, It was shown that the decrease in the conformational entropy of this confined polymer chain obeys a simple law. The reduction of a chain in conformational entropy due to the confining effect of a surface increased with increasing the chain length and decreasing the distance z(0) . The mean square end-to-end distance (especially its z-component) of the confined polymer chain near an impenetrable plane was larger than the corresponding value of the free chain, as the end distance z(0) was very small. When the end distance z(0) increased the ratio of and decreased in the beginning, reached a minimum and then increased at last. As the end distance z(0) --> infinity, this ratio approached to a limit value equal to the corresponding value of a free chain. In other words, the size of the polymer chain was experienced a process of rapid contraction and then gradual extension.
语种英语
WOS记录号WOS:000169035400020
出版者SCIENCE PRESS
源URL[http://ir.iccas.ac.cn/handle/121111/77531]  
专题中国科学院化学研究所
通讯作者Li, XY
作者单位1.Sichuan Univ, Coll Text, Chengdu 610065, Peoples R China
2.Chinese Acad Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100080, Peoples R China
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GB/T 7714
Li, XY,Tang, B,Wu, DC,et al. Computer simulations of a model polymer chain near a surface[J]. ACTA POLYMERICA SINICA,2001(3):378-382.
APA Li, XY,Tang, B,Wu, DC,&Zhao, DL.(2001).Computer simulations of a model polymer chain near a surface.ACTA POLYMERICA SINICA(3),378-382.
MLA Li, XY,et al."Computer simulations of a model polymer chain near a surface".ACTA POLYMERICA SINICA .3(2001):378-382.

入库方式: OAI收割

来源:化学研究所

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