Hagen-Poiseuille方程
高分子
化学物理
微通道
聚合物
分子动力学
流量(数学)
星形聚合物
扩散
化学
材料科学
纳米技术
机械
物理
计算化学
热力学
聚合
有机化学
生物化学
作者
Irina V. Neratova,T. Kreer,Jens‐Uwe Sommer
出处
期刊:Macromolecules
[American Chemical Society]
日期:2015-05-07
卷期号:48 (11): 3756-3766
被引量:11
标识
DOI:10.1021/acs.macromol.5b00042
摘要
We investigate the transport of macromolecules with different architectures through polymer brush-covered microchannels by means of molecular dynamics simulations. Linear macromolecules and star polymers with different functionalities and arm lengths are driven through the channel by a Poiseuille flow with various pressure gradients. A comparison between the diffusive dynamics in equilibrium and upon Poiseuille flows reveals dramatic changes of the transport properties. While the self-diffusion for linear chains and stars with large functionality and short arms (the latter representing the limit of hard spheres) is faster than for stars with intermediate softness, the current density of macromolecules in Poiseuille flows depends strongly on the flow strength and tends to decrease monotonically with increasing functionality. Our measurements of density and flow profiles as well as binary interactions among different species (brushes, solvent, macromolecular inclusions) shed light on complex translocation processes, which are of importance in biology and micromechanical applications.
科研通智能强力驱动
Strongly Powered by AbleSci AI