Static properties of end-tethered polymers in good solution:: A comparison between different models

被引:97
作者
Kreer, T [1 ]
Metzger, S
Müller, M
Binder, K
Baschnagel, J
机构
[1] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany
[2] Inst Charles Sadron, F-67083 Strasbourg, France
关键词
D O I
10.1063/1.1642615
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 present a comparison between results, obtained from different simulation models, for the static properties of end-tethered polymer layers in good solvent. Our analysis includes data from two previous studies-the bond fluctuation model of Wittmer [J. Chem. Phys. 101, 4379 (1994)] and the off-lattice bead-spring model of Grest and Murat [Macromolecules 26, 3108 (1993)]. Additionally, we explore the properties of a similar off-lattice model simulated close to the Theta temperature. We show that the data for the bond fluctuation and the Grest-Murat model can be analyzed in terms of scaling theory because chains are swollen inside the Pincus blob. In the vicinity of the Theta point the structure of the chains is essentially Gaussian in the Pincus blob. Therefore, the data for the second off-lattice model can be compared quantitatively to the self-consistent field theory. Different ways to determine the parameters of the self-consistent field theory are discussed. (C) 2004 American Institute of Physics.
引用
收藏
页码:4012 / 4023
页数:12
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