Liang Hao, Jia-ye Su, Hong-xia Guo. MOLECULAR DYNAMICS SIMULATION OF THE TRANSPORT OF CHARGED TUBE-LIKE NANOPARTICLES THROUGH A FLUIDIC CHANNEL[J]. Acta Polymerica Sinica, 2013,(12):1561-1566.
Liang Hao, Jia-ye Su, Hong-xia Guo. MOLECULAR DYNAMICS SIMULATION OF THE TRANSPORT OF CHARGED TUBE-LIKE NANOPARTICLES THROUGH A FLUIDIC CHANNEL[J]. Acta Polymerica Sinica, 2013,(12):1561-1566. DOI: 10.3724/SP.J.1105.2013.13144.
Molecular dynamics simulation is used to study the transport of charged tube-like nanoparticles (NPs) through a fluidic channel.Herein
the effect of NP size
charge nature and external electric field (E) on the transport dynamics is considered.With the increase of E
the NP flux increases remarkably
where some of them exhibit nonmonotonous variations that are different from the flux behaviors of spherical NPs.The translocation time yields to a power law decrease with E
which is in agreement with the prediction of Langevin dynamics.Under a given E
the flux of tube-like NPs is several times and even an order smaller than that of spherical NPs
and inversely the translocation time is several times larger.Compared to spherical NPs
the tube-like NPs should always sacrifice some rotational freedom to enter the channel
thus they have smaller flux and longer translocation time.These results enrich the understanding of the NP shape effect
which has implications in the design of high efficient nanocarriers.