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Received: 2003-06-24

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Journal of Zhejiang University SCIENCE A 2004 Vol.5 No.6 P.699-704

http://doi.org/10.1631/jzus.2004.0699


Dynamic Monte Carlo simulation of linear SAW polymer chain near a flat surface


Author(s):  HUANG Jian-hua, HAN Shi-jun

Affiliation(s):  Department of Applied Chemistry, Zhejiang Institute of Science and Technology, Hangzhou 310033, China; more

Corresponding email(s):   hjhchem@yahoo.com.cn

Key Words:  Polymer, Conformation, Probability distribution, Monte Carlo simulation


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HUANG Jian-hua, HAN Shi-jun. Dynamic Monte Carlo simulation of linear SAW polymer chain near a flat surface[J]. Journal of Zhejiang University Science A, 2004, 5(6): 699-704.

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%A HAN Shi-jun
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T1 - Dynamic Monte Carlo simulation of linear SAW polymer chain near a flat surface
A1 - HUANG Jian-hua
A1 - HAN Shi-jun
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PB - Zhejiang University Press & Springer
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DOI - 10.1631/jzus.2004.0699


Abstract: 
Investigation of the conformational properties of a SAW polymer chain near an impenetrable, non-interacting flat surface showed that the chain at first contracted and orientated itself to slightly parallel when it pulled close to the surface and at last elongated and reoriented itself to slightly perpendicular to the surface at very small distance from the surface. Simulation showed that most of the disappeared configurations were of large size at moderate distance from the surface while they were of small size at very small distance from the surface; and that the mean-square end-to-end distance was much more prone to be influenced by the surface than the mean-square radius of gyration . The orientational correlation between the direction of the longest principal axis of the moment of inertia and end-to-end vector was also discussed.

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