We conducted a molecular dynamics(MD)simulation to address the novel flow behaviors induced by a solid particle in nanochannels.Two basic flows,i.e.,Poiseuille and Couette,are involved in this study.For Poiseuille flo...We conducted a molecular dynamics(MD)simulation to address the novel flow behaviors induced by a solid particle in nanochannels.Two basic flows,i.e.,Poiseuille and Couette,are involved in this study.For Poiseuille flow,the distribution of number density exhibits fluctuations in the center of channel and near the walls,which are caused by the strong interactions from the atoms of particle and walls.For stronger external driving forces,the fluid atoms move toward the center of channel and some cavities appear in the fluidic zone.Greater external driving forces and bigger particles make the fluid moving quickly in nanochannels.For Couette flow,the particle rotates under the velocity difference among particle atoms in the shear flows.The fluid atoms near the walls become infrequent and move to the center of channel.The velocities of the centrally-located fluid atoms decrease owing to the particle,resulting in an untypical non-linear Couette flow.In summary,the solid particle brings new fluid–solid interface and interactions,which induce several novel behaviors in nanochannel flows.展开更多
It is a challenging task to control regioselective cycloaddition for polyolefins.Triazolines are a prominent class of heterocycles in organic synthesis and pharmaceutical chemistry.Among the numerous synthetic protoco...It is a challenging task to control regioselective cycloaddition for polyolefins.Triazolines are a prominent class of heterocycles in organic synthesis and pharmaceutical chemistry.Among the numerous synthetic protocols for the formation of triazolines,the 1,3-dipolar cycloaddition of azides to neutral alkenes is an effective method[1].To the best of our knowledge,the ionic cycloaddition between azides and ionic alkenes remains unexplored to date.It has been found that Coobehaves likean electron-deficientalkene and that its[6,6]-bonds are C=C double bonds and dipolarophilic,which enable C_(60) to undergo various[2+3]cycloadditions[2].展开更多
基金supported by the National Natural Science Foundation of China(50876111,50936006,and 51121092)
文摘We conducted a molecular dynamics(MD)simulation to address the novel flow behaviors induced by a solid particle in nanochannels.Two basic flows,i.e.,Poiseuille and Couette,are involved in this study.For Poiseuille flow,the distribution of number density exhibits fluctuations in the center of channel and near the walls,which are caused by the strong interactions from the atoms of particle and walls.For stronger external driving forces,the fluid atoms move toward the center of channel and some cavities appear in the fluidic zone.Greater external driving forces and bigger particles make the fluid moving quickly in nanochannels.For Couette flow,the particle rotates under the velocity difference among particle atoms in the shear flows.The fluid atoms near the walls become infrequent and move to the center of channel.The velocities of the centrally-located fluid atoms decrease owing to the particle,resulting in an untypical non-linear Couette flow.In summary,the solid particle brings new fluid–solid interface and interactions,which induce several novel behaviors in nanochannel flows.
基金supported by the National Natural Science Foundation of China (22071231 and 21772189)。
文摘It is a challenging task to control regioselective cycloaddition for polyolefins.Triazolines are a prominent class of heterocycles in organic synthesis and pharmaceutical chemistry.Among the numerous synthetic protocols for the formation of triazolines,the 1,3-dipolar cycloaddition of azides to neutral alkenes is an effective method[1].To the best of our knowledge,the ionic cycloaddition between azides and ionic alkenes remains unexplored to date.It has been found that Coobehaves likean electron-deficientalkene and that its[6,6]-bonds are C=C double bonds and dipolarophilic,which enable C_(60) to undergo various[2+3]cycloadditions[2].