A molecular dynamics simulation study of the influence of hydrogen-bonding and polar interactions on hydration and conformations of a poly(ethylene oxide) oligomer in dilute aqueous solution

被引：55

作者：

Smith, GD

Bedrov, D

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 / 14期

关键词：

D O I：

10.1021/ma011026t

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

Influence of hydrogen-bonding and polar interactions on hydration and conformations of a poly(ethylene oxide) oligomer in dilute aqueous solution was studied. Ether-water polar interactions influenced the excess free energy and enthalpy of solution. The entropy of hydration showed little change as ether-water interactions became more hydrophobic through removal of ether-water hydrogen-bonding and polar interactions.

引用

页码：5712 / 5719

页数：8

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