Helix-like structure formation of a semi-flexible chain confined in a cylinder channel

doi:10.1088/1674-1056/25/9/093601

Abstract

Molecular dynamics method is used to study the conformation behavior of a semi-flexible polymer chain confined in a cylinder channel. A novel helix-like structure is found to form during the simulation. Moreover, the detailed characteristic parameters and formation probability of these helix-like structures under moderate conditions are investigated. We find that the structure is not a perfect helix, but a bundle of elliptical turns. In addition, we conduct a statistical analysis for the chain monomer distribution along the radial direction. This research contributes to our understanding of the microscopic conformation of polymer chains in confined environments filled with a solvent.

Keywords: semi-flexible polymer cylinder channel solvent helix-like structure

Received: 21 February 2016
Revised: 25 April 2016
Accepted manuscript online:

PACS:	36.20.Ey	(Conformation (statistics and dynamics))
	87.15.A-	(Theory, modeling, and computer simulation)
	87.15.ap	(Molecular dynamics simulation)
	02.50.-r	(Probability theory, stochastic processes, and statistics)

Fund:

Project supported by the National Natural Science Foundation of China (Grant Nos. 11504033 and 11404290) and the General Research Fund of Hong Kong Research Council of China (Grant No. 15301014).

Corresponding Authors: Xiaohui Wen
E-mail: wenxiaohui_2006@126.com

Cite this article:

Xiaohui Wen(温晓会), Tieyu Sun(孙铁昱), Wei-Bing Zhang(张卫兵), Chi-Hang Lam(林志恒), Linxi Zhang(章林溪), Huaping Zang(臧华平) Helix-like structure formation of a semi-flexible chain confined in a cylinder channel 2016 Chin. Phys. B 25 093601

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Helix-like structure formation of a semi-flexible chain confined in a cylinder channel

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