Abstract
Using non-equilibrium molecular dynamics and Monte Carlo methods, we have studied the molecular transport in asymmetric nanochannels. The efficiency of the molecular pump depends on the angle and apertures of the asymmetric channel, the environmental temperature and average concentration of the particles. The pumping effect can be explained as the competition between the molecular force field and the thermal disturbance. Our results provide a green approach for pumping fluid particles against the concentration gradient through asymmetric nanoscale thin films without any external forces. It indicates that pumping vacuum can be a spontaneous process.
Highlights
Using non-equilibrium molecular dynamics and Monte Carlo methods, we have studied the molecular transport in asymmetric nanochannels
Our results provide a green approach for pumping fluid particles against the concentration gradient through asymmetric nanoscale thin films without any external forces
Thepressure differences for the convergent and divergent directions are studied in conical channel through molecular dynamic simulations[32], it is reported that the convergent water flux is changed fromsmallerto larger than the divergent one with the increase of pressure.It seems that the thermodynamic theory becomes inapplicable in nanoscale system
Summary
Zhi-cheng Xu1, Dong-qin Zheng[1], Bao-quan Ai2 & Wei-rong Zhong[1] received: 21 October 2015 accepted: 07 March 2016 Published: 21 March 2016. Thepressure differences for the convergent and divergent directions are studied in conical channel through molecular dynamic simulations[32], it is reported that the convergent water flux is changed fromsmallerto larger than the divergent one with the increase of pressure.It seems that the thermodynamic theory becomes inapplicable in nanoscale system. It is usually explained as a net flux induced by thermal noise, where its correlation timelength is large for the nanoscale system[33]. The asymmetric thin films may be a green structure for molecular transport
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