基质(水族馆)
粘附
分子动力学
材料科学
PEG比率
乙二醇
位阻效应
化学工程
纳米技术
表面张力
聚酯纤维
化学物理
化学
复合材料
计算化学
立体化学
热力学
地质学
海洋学
物理
财务
工程类
经济
作者
George Yiapanis,David J. Henry,Shane Maclaughlin,Evan Evans,Irene Yarovsky
出处
期刊:Langmuir
[American Chemical Society]
日期:2012-11-27
卷期号:28 (50): 17263-17272
被引量:10
摘要
Responsive surfaces show potential for many applications; however, the molecular mechanisms of their responsive behavior are often dependent on the nature and properties of the substrate and this dependence is not fully understood. We present a molecular dynamics study on the mechanical response of poly(ethylene glycol) (PEG) grafted on substrates of varying flexibility in "dry" conditions. Our in silico surface loading tests show that when PEG is grafted onto a hard substrate (silica), there is a significant reduction in adhesion to a solid surface, owing to augmented steric repulsions at the interface. However, when the same chains are tethered onto a soft substrate (polyester), interfacial adhesion is strengthened. We find that the deformable substrate allows significant rearrangement of the subsurface and grafted segments during loading. Asperities along the rough soft surface also provide free volume for the tethered chains to occupy, enabling them to carpet the surface and increasing the density at the interface. Our results explain the molecular basis of the mechanical response of PEG when grafted onto hard and soft substrates and provide a rationale for surface protection using PEG.
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