Monte Carlo simulation of polymer wrapping of nanotubes

被引：61

作者：

Gurevitch, Inna ^{[1
]}

Srebnik, Simcha ^{[1
]}

机构：

[1] Technion Israel Inst Technol, Dept Chem Engn, IL-32000 Haifa, Israel

来源：

CHEMICAL PHYSICS LETTERS | 2007年 / 444卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2007.06.112

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We study the behavior of a dilute solution of semiflexible polymer chains near a weakly attractive cylindrical surface using Monte Carlo simulation. The competition between monomer-monomer interactions and adsorption energy on the one hand, and bending energy and entropic penalty of adsorption on the other, leads to ordered conformations of the chains around the tube. Above a critical cylinder radius, the chains are found to be fully adsorbed in a monolayer. The preferred adsorbed conformations under such conditions are single and multiple helices. Our findings may shed light on the experimentally observed ordered polymer wrapping of carbon nanotubes. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：96 / 100

页数：5

共 25 条

[1]

Baschnagel J., 2004, COMPUTATIONAL SOFT M, P83

[2] Noncovalent and nonspecific molecular interactions of polymers with multiwalled carbon nanotubes [J].

Baskaran, D ;

Mays, JW ;

Bratcher, MS .

CHEMISTRY OF MATERIALS, 2005, 17 (13) :3389-3397

[3] Excluded volume effects on polymer chains confined to spherical surfaces [J].

Cerdà, JJ ;

Sintes, T ;

Chakrabarti, A .

MACROMOLECULES, 2005, 38 (04) :1469-1477

[4] Monte Carlo simulations of conformations of short chains near a cylindrical rod [J].

Chen, SB ;

Wang, XY ;

Chiew, YC .

JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (01) :590-595

[5] A coarse-grained model for the formation of α helix with a noninteger period on simple cubic lattices [J].

Chen, Yantao ;

Zhang, Qi ;

Ding, Jiandong .

JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (18)

[6] A functional conjugated polymer to process, purify and selectively interact with single wall carbon nanotubes [J].

Dalton, AB ;

Blau, WJ ;

Chambers, G ;

Coleman, JN ;

Henderson, K ;

Lefrant, S ;

McCarthy, B ;

Stephan, C ;

Byrne, HJ .

SYNTHETIC METALS, 2001, 121 (1-3) :1217-1218

[7] Controlled assembly of carbon nanotubes by designed amphiphilic peptide helices [J].

Dieckmann, GR ;

Dalton, AB ;

Johnson, PA ;

Razal, J ;

Chen, J ;

Giordano, GM ;

Muñoz, E ;

Musselman, IH ;

Baughman, RH ;

Draper, RK .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2003, 125 (07) :1770-1777

[8] Simulation of DNA-nanotube interactions [J].

Gao, HJ ;

Kong, Y .

ANNUAL REVIEW OF MATERIALS RESEARCH, 2004, 34 :123-150

[9] Helical structures in proteins [J].

Kemp, JP ;

Chen, JZY .

BIOMACROMOLECULES, 2001, 2 (02) :389-401

[10] DOUBLE STRAND HELIX OF ISOTACTIC POLY(METHYL METHACRYLATE) [J].

KUSANAGI, H ;

TADOKORO, H ;

CHATANI, Y .

MACROMOLECULES, 1976, 9 (03) :531-532

← 1 2 3 →