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Title: Excluded volume effects in compressed polymer brushes: A density functional theory

Abstract

A classical density functional theory (DFT) is applied to investigate the behavior of compressed polymer brushes composed of hard-sphere chains. The excluded volume interactions among the chain segments are explicitly treated. Two compression systems are used to study the behavior of brush-wall and brush-brush interactions. For the brush-brush systems, an obvious interpenetration zone has been observed. The extent of the interpenetration depends strongly on the grafting density. Furthermore, the repulsive force between the brush and wall or between the two brushes has been obtained as a function of the compression distance. Compared to the prediction of the analytic self-consistent field theory, such force increases more rapidly in the brush-wall compression with high polymer grafting densities or at higher compressions. In the brush-brush compression system, the interpenetration between the two compressed brushes creates a “softer” interaction. The influence of hard-sphere solvents on the behavior of compressed brushes is also discussed.

Authors:
; ;  [1];  [2]
  1. The State Key Laboratory of Molecular Engineering of Polymers, Key Laboratory of Computational Physical Sciences, Department of Macromolecular Science, Fudan University, Shanghai 200433 (China)
  2. Department of Physics and Astronomy, McMaster University, Hamilton, Ontario L8S 4M1 (Canada)
Publication Date:
OSTI Identifier:
22415582
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 12; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; COMPARATIVE EVALUATIONS; COMPRESSION; DENSITY FUNCTIONAL METHOD; GRAFTS; POLYMERS; SELF-CONSISTENT FIELD; SOLVENTS; SPHERES

Citation Formats

Chen, Cangyi, Tang, Ping, E-mail: pingtang@fudan.edu.cn, E-mail: fengqiu@fudan.edu.cn, Qiu, Feng, E-mail: pingtang@fudan.edu.cn, E-mail: fengqiu@fudan.edu.cn, and Shi, An-Chang. Excluded volume effects in compressed polymer brushes: A density functional theory. United States: N. p., 2015. Web. doi:10.1063/1.4916133.
Chen, Cangyi, Tang, Ping, E-mail: pingtang@fudan.edu.cn, E-mail: fengqiu@fudan.edu.cn, Qiu, Feng, E-mail: pingtang@fudan.edu.cn, E-mail: fengqiu@fudan.edu.cn, & Shi, An-Chang. Excluded volume effects in compressed polymer brushes: A density functional theory. United States. doi:10.1063/1.4916133.
Chen, Cangyi, Tang, Ping, E-mail: pingtang@fudan.edu.cn, E-mail: fengqiu@fudan.edu.cn, Qiu, Feng, E-mail: pingtang@fudan.edu.cn, E-mail: fengqiu@fudan.edu.cn, and Shi, An-Chang. Sat . "Excluded volume effects in compressed polymer brushes: A density functional theory". United States. doi:10.1063/1.4916133.
@article{osti_22415582,
title = {Excluded volume effects in compressed polymer brushes: A density functional theory},
author = {Chen, Cangyi and Tang, Ping, E-mail: pingtang@fudan.edu.cn, E-mail: fengqiu@fudan.edu.cn and Qiu, Feng, E-mail: pingtang@fudan.edu.cn, E-mail: fengqiu@fudan.edu.cn and Shi, An-Chang},
abstractNote = {A classical density functional theory (DFT) is applied to investigate the behavior of compressed polymer brushes composed of hard-sphere chains. The excluded volume interactions among the chain segments are explicitly treated. Two compression systems are used to study the behavior of brush-wall and brush-brush interactions. For the brush-brush systems, an obvious interpenetration zone has been observed. The extent of the interpenetration depends strongly on the grafting density. Furthermore, the repulsive force between the brush and wall or between the two brushes has been obtained as a function of the compression distance. Compared to the prediction of the analytic self-consistent field theory, such force increases more rapidly in the brush-wall compression with high polymer grafting densities or at higher compressions. In the brush-brush compression system, the interpenetration between the two compressed brushes creates a “softer” interaction. The influence of hard-sphere solvents on the behavior of compressed brushes is also discussed.},
doi = {10.1063/1.4916133},
journal = {Journal of Chemical Physics},
number = 12,
volume = 142,
place = {United States},
year = {Sat Mar 28 00:00:00 EDT 2015},
month = {Sat Mar 28 00:00:00 EDT 2015}
}