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

[11] Conformational behavior of semi-flexible polymers confined to a cylindrical surface [J].

Kusner, Iliya ;

Srebnik, Simcha .

CHEMICAL PHYSICS LETTERS, 2006, 430 (1-3) :84-88

[12]

MAGEE JE, 2006, PHYS REV LETT

[13] Optimal shapes of compact strings [J].

Maritan, A ;

Micheletti, C ;

Trovato, A ;

Banavar, JR .

NATURE, 2000, 406 (6793) :287-290

[14] A microscopic and spectroscopic study of interactions between carbon nanotubes and a conjugated polymer [J].

McCarthy, B ;

Coleman, JN ;

Czerw, R ;

Dalton, AB ;

Panhuis, MIH ;

Maiti, A ;

Drury, A ;

Bernier, P ;

Nagy, JB ;

Lahr, B ;

Byrne, HJ ;

Carroll, DL ;

Blau, WJ .

JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (09) :2210-2216

[15] OFF-LATTICE MONTE-CARLO SIMULATION OF DILUTE AND CONCENTRATED POLYMER-SOLUTIONS UNDER THETA CONDITIONS [J].

MILCHEV, A ;

PAUL, W ;

BINDER, K .

JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (06) :4786-4798

[16] Polymer nanodroplets adsorbed on nanocylinders: A Monte Carlo study [J].

Milchev, A ;

Binder, K .

JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (14) :6852-6862

[17] DNA dissolves single-walled carbon nanotubes in water [J].

Nakashima, N ;

Okuzono, S ;

Murakami, H ;

Nakai, T ;

Yoshikawa, K .

CHEMISTRY LETTERS, 2003, 32 (05) :456-457

[18] Solvophobically driven folding of nonbiological oligomers [J].

Nelson, JC ;

Saven, JG ;

Moore, JS ;

Wolynes, PG .

SCIENCE, 1997, 277 (5333) :1793-1796

[19] Morphological variation in a collapsed single homopolymer chain [J].

Noguchi, H ;

Yoshikawa, K .

JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (12) :5070-5077

[20] Inclusion of cut and as-grown single-walled carbon nanotubes in the helical superstructure of schizophyllan and curdlan (ß-1,3-glucans) [J].

Numata, M ;

Asai, M ;

Kaneko, K ;

Bae, AH ;

Hasegawa, T ;

Sakurai, K ;

Shinkai, S .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (16) :5875-5884

← 1 2 3 →