聚氧化乙烯在溴化钾表面吸附后的形貌研究

Study on the Conformation of Polyethylene Oxide Adsorbed on Potassium Bromide Surface

用分子动力学方法模拟了聚氧化乙烯(PEO)在溴化钾(KB r)表面的吸附过程,通过计算表明,溴化钾表面对聚氧化乙烯分子有较强的吸附作用,并且聚氧化乙烯被吸附后分子的螺旋结构平行于溴化钾表面.同时用红外光谱法研究了聚氧化乙烯在溴化钾表面吸附后的形貌,通过红外光谱研究得到了聚氧化乙烯螺旋结构平行于溴化钾表面的结论.本文的研究结果可以对涂层技术、表面自组装或者成核剂的设计等提供指导.

The process of adsorption of polyethylene oxide （PEO） on potassium bromide （KBr） surface was studied using molecular dynamics simulation method. It was found that the potassium bromide surfaces had a strong adsorption effect on polyethylene oxide molecules and the helix axis of the PEO are parallel to the surfaces of KBr. The conformation of the PEO adsorbed on KBr surfaces was researched by infrared spectroscopy, which show no difference of the calculation result. Current results provide a general guide on designing coating, self-assemble or nucleation agents.