Molecular dynamics simulation of injection of polyethylene fluid in a variable cross-section nano-channel

• 来源期刊: 科学通报(英文版)
• 学科: 化学
• 年，卷（期）: 2011,（17）
• 页码范围: 1848-1856
• 页数: 9页
• 分类号: O631.2
• 语种: 中文

摘要

Numerical simulation of injection of polyethylene fluid in a variable cross-section nano-channel was carried out using the molecular dynamics method.The effects of the nano-channel cross-section and the external force on the rheological behavior and structural properties of the polyethylene fluid were investigated.It was found that an absorbed layer appeared near the wall and the thickness of the absorbed layer increased with increasing cone angle of the nano-channel.The injection distance of the polyethylene fluid decreased with increasing cone angle and decreasing external force.In the nano-channel with cone angle 45°,polyethylene particles uniformly filled the whole channel and were stretched along the flow direction.Uniaxial stretching of particles was enhanced when the external force was strengthened,which facilitates injection of the polyethylene fluid into the nano-channel.