Molecular dynamics simulation study of dielectric relaxation in aqueous poly(ethylene oxide) solutions

被引：27

作者：

Borodin, O

Bedrov, D

Smith, GD

机构：

[1] Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA

[2] Univ Utah, Dept Chem & Fuels Engn, Salt Lake City, UT 84112 USA

来源：

MACROMOLECULES | 2002年 / 35卷 / 06期

关键词：

D O I：

10.1021/ma011361h

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

The molecular dynamics simulation study of dielectric relaxation in aqueous poly(ethylene oxide) (PEO) solutions was presented. Dielectric relaxation of the whole simulation box and the contributions to this process due to the collective relaxation of all water molecules and the collective relaxation of all PEO molecules was monitored. The results of observation revealed that the maximum dielectric loss shifted to lower frequency with initial addition of water to PEO melts.

引用

页码：2410 / 2412

页数：3

共 20 条

[1] Tetrahedral displacement: The molecular mechanism behind the Debye relaxation in water [J].