摘要
本文在简要介绍疏水表面动力学模拟理论的基础上,总结了分子动力学模拟方法在疏水表面研究的应用进展,主要概述了疏水表面接触角、疏水表面多肽自组装和疏水表面动态润湿行为三个方面的模拟进展,并对动力学模拟在疏水表面的应用进行展望。
The traditional experimental research mainly focuses on the phenomenon observation and lacks the mathematical model, while molecular dynamic simulation can reflect macroscopic properties from microscopic states which have been widely used in materials, chemistry, biology and other disciplines. The simulation results provide a theoretical basis for experimental research. In this review, the research progress of molecular dynamics simulation applied in the field of hydrophobic surface contact angle, self-assembly and dynamic wetting behavior were summarized in details. The future research on hydrophobic surfaces was prospected.
作者
夏蒙
苏铭吉
乔景爱
张玉红
XIA Meng;SU Ming-ji;QIAO Jing-ai;ZHANG Yu-hong(Hubei Collaborative Innovation Center for Advanced Organic Chemical Material;Key Laboratory for the Synthesis and Application of Organic Functional Molecules, Ministry of Educatio;College of Chemistry and Chemical Engineering, Hubei University, Wuhan 430052)
出处
《胶体与聚合物》
2018年第1期43-45,共3页
Chinese Journal of Colloid & Polymer
关键词
分子动力学模拟
疏水表面
接触角
自组装
动态润湿
Molecular Dynamic Simulation
Hydrophobic Surfaces
Contact Angle
Self-Assembly
Dynamic Wetting Behavior
