NC/PEG共混体系组分间的相互作用及其微观结构

Interaction between Components in NC/PEG Blended System and Its Microscopic Structure

用溶液共混法制备了硝化纤维素/聚乙二醇(NC/PEG)共混物,采用红外光谱和偏光显微镜表征了共混物两组分的相互作用和共混体系微观结构。结果表明,NC与PEG分子间存在较强的相互作用,PEG以碎晶的形式分布在共混体系中。用分子动力学模拟研究了NC和PEG分子间的相互作用机理,通过介观动力学模拟得到共混体系微观结构及密度分布图,两种模拟结果与实验结果均保持较高的一致性。表明,分子动力学和介观动力学模拟能表征NC/PEG体系分子间相互作用和微观结构。

The blend of nitrocellulose（ NC） and polyethlene glycol（ PEG） was prepared by solution blending method. The interaction between the two components PEG and NC,and the microscopic structure of the blend were characterized via infrared spectroscopy and polarizing microscope. Results show that there is a strong interaction between NC and PEG,and PEG fragmentary crystallites disperse in the blended system. The mechanism of the interaction between NC and PEG was studied by molecular dynamics simulation,and the microscopic structure and density distribution were obtained by the mesoscopic dynamic simulation. The above two simulations have a good accordance with the experimental results. Molecular interaction and microstructure of NC /PEG system can be characterized by molecular dynamics and mesoscopic dynamic simulation.