Dipole alignment of water molecules flowing through a carbon nanotube
نویسندگان
چکیده
The flow of water through nanochannels has promising applications in desalination, energy conversion, and nanomedicine. We have used molecular dynamics simulations to show that the molecules passing a wide single-walled carbon nanotube (CNT) get aligned by net dipole moment along direction. With increasing velocity, first increases eventually saturates constant value. This behavior is similar an Ising chain with velocity acting as effective aligning field. microscopic origin this preferential entry their vectors pointing inward CNT axis.
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1 Department of Materials Science and Engineering, Sichuan University, Chengdu, Sichuan 610064, China 2 Department of Optoelectronic Technology, Chengdu University of Information Technology, Chengdu, Sichuan 610225, China 3 Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, USA 4 School of Engineering Physics, University of Wollongong, New South Wal...
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ژورنال
عنوان ژورنال: Physical review
سال: 2023
ISSN: ['0556-2813', '1538-4497', '1089-490X']
DOI: https://doi.org/10.1103/physrevb.107.165402