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.
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页码：5712 / 5719
页数：8
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