We demonstrate the feasibility of using a carbon nanotube to nanopump molecules.Molecular dynamics simulations show that the transport and ejection of a C20 molecule via a single-walled carbon nanotube(SWNT)can be ach...We demonstrate the feasibility of using a carbon nanotube to nanopump molecules.Molecular dynamics simulations show that the transport and ejection of a C20 molecule via a single-walled carbon nanotube(SWNT)can be achieved by a sustained mechanical actuation driven by two oscillating tips.The optimal condition for nanopumping is found when the tip oscillation frequency and magnitude correlate to form quasi steady-state mechanical wave propagation in the SWNT,so that the energy transfer process is optimal leading to maximal molecular translational motion and minimal rotational motion.Our finding provides a potentially useful mechanism for using an SWNT as a vehicle to deliver large drug molecules.展开更多
Nanopumps conducting fluids directionally through nanopores and nanochannels have attracted considerable interest for their potential applications in nanofiltration, water purification, and hydroelectric power generat...Nanopumps conducting fluids directionally through nanopores and nanochannels have attracted considerable interest for their potential applications in nanofiltration, water purification, and hydroelectric power generation Here, we demonstrate by molecular dynamics simulations that an excited vibrating carbon nanotube （CNT） cantilever can act as an efficient and simple nanopump. Water molecules inside the vibrating cantilever are driven by centrifugal forces and can undergo a continuous flow from the fixed to free ends of the CNT. Further extensive simulations show that the pumping function holds good not only for a single-file water chain in a narrow （6,6） CNT, but also for bulk-like water columns inside wider CNTs, and that the water flux increases monotonically with increasing diameter of the nanotube.展开更多
基金Department of Energy-Basic Energy Science program.In addition,M.C.thanks the China Scholarship Council and D.X.thanks the Natural Science Foundation of China(Nos.50410179 and 50772068)for their support.
文摘We demonstrate the feasibility of using a carbon nanotube to nanopump molecules.Molecular dynamics simulations show that the transport and ejection of a C20 molecule via a single-walled carbon nanotube(SWNT)can be achieved by a sustained mechanical actuation driven by two oscillating tips.The optimal condition for nanopumping is found when the tip oscillation frequency and magnitude correlate to form quasi steady-state mechanical wave propagation in the SWNT,so that the energy transfer process is optimal leading to maximal molecular translational motion and minimal rotational motion.Our finding provides a potentially useful mechanism for using an SWNT as a vehicle to deliver large drug molecules.
基金This work was supported by the 973 Program （No. 2007CB936204）, National and Jiangsu Province National Science Foundation （NSF） （Nos. 10732040, 10802037, 30970557, and BK2008042） of China, and Nanjing University of Aeronautics and Astronautics Funds （No. BCXJ08-02）. The authors thank Drs. Yitao Dai, Chun Tang, and Zhuhua Zhang for helpful discussions.
文摘Nanopumps conducting fluids directionally through nanopores and nanochannels have attracted considerable interest for their potential applications in nanofiltration, water purification, and hydroelectric power generation Here, we demonstrate by molecular dynamics simulations that an excited vibrating carbon nanotube （CNT） cantilever can act as an efficient and simple nanopump. Water molecules inside the vibrating cantilever are driven by centrifugal forces and can undergo a continuous flow from the fixed to free ends of the CNT. Further extensive simulations show that the pumping function holds good not only for a single-file water chain in a narrow （6,6） CNT, but also for bulk-like water columns inside wider CNTs, and that the water flux increases monotonically with increasing diameter of the nanotube.
