摘要
通过分子动力学模拟计算水的粘度和纳米水滴在铜表面的静态接触角。基于Green-Kubo线性响应理论分别模拟测试了四种水分子模型SPC、SPC/E、TIP3P以及TIP4P的剪切粘度,结果表明,TIP4P的粘度计算最接近实际情况。此外,结合纳米水滴低速撞击的铜表面数密度云图,利用平衡态下液滴的数密度等值线图精确计算了静态接触角。探讨纳微流体的流变规律,为控制纳液滴在纳微表面润湿性能提供了依据。
The viscosity of water and the static contact angle of water droplet on copper surface were calculated by using molecular dynamics simulation. Based on green-Kubo linear response theory,the shear viscosities of four water molecular models,involving SPC,SPC/E,TIP3P and TIP4P,were tested. The results show that the viscosity calculation of TIP4 P is closest to the actual situation. In addition,the number density nephogram of the nano water droplet impacting with copper surface at low velocity is given,and the number density contour of the droplet in the equilibrium state is drawn to accurately calculate the static contact angle. The rheological law of nano-fluid is discussed,which provides a basis for controlling the wettability of nano-droplets on nano-surface.
作者
尹宗军
苏蓉
王清清
梅媛春
李永
YIN Zongjun;SU Rong;WANG Qingqing;MEI Yuanchun;LI Yong(School of Mechanical Engineering,Anhui Institute of Information Technology,Wuhu 241100,China)
出处
《宿州学院学报》
2021年第12期26-30,41,共6页
Journal of Suzhou University
基金
安徽省教育厅高校自然科学研究重点项目(KJ2020A0826)。
关键词
分子动力学
粘度计算
接触角
Molecular dynamics
Viscosity calculation
Contact angle
