Macromolecule migration subjected to thermal gradient exists widely in biological and medical engineering problems. Exploring the thermo-hydrodynamic mechanism is of great significance both for biochemical engineering and micro/nanotechnology. In this paper
the energy-conserving dissipative particle dynamics (eDPD) is extended to investigate the flow of macromolecular solutions and macromolecule behaviors in a micro-channel subjected to thermal gradient. The accuracy and reliability of the codes are verified by comparative studies. Then
the velocity of macromolecular solutions under different temperature gradients and lengths
as well as their coupling effects are comparatively analyzed
and the macromolecular centroids distribution and behaviors including stretching
winding and folding are investigated systemically. The results show the macromolecular solution flow
probability distribution of centroids and the behaviors of macromolecules are obviously affected by thermal gradient
and some new features are revealed. The theoretical basis provides a potential way for the precise control of macromolecules (ex. drugs or DNA)
and a new approach is proposed to investigate the complex dynamic behaviors of macromolecule under thermal condition.
关键词
能量守恒耗散粒子动力学(eDPD)高分子微流动温度梯度FENE模型
Keywords
Energy-conserving dissipative particle dynamics (eDPD)MacromoleculeMicroflowTemperature gradientFinite-extensive nonlinear elastic(FENE) model