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Pressure-driven water flow through carbon nanotubes: Insights from molecular dynamics simulation

Authors:	John A Thomas Alan JH McGaughey Ottoleo Kuter-Arnebeck

Affiliation:	1. CAS Key Laboratory of Mechanical Behavior and Design of Materials, Department of Modern Mechanics, University of Science and Technology of China, Hefei, Anhui 230027, China;2. Zhongtian Technology Submarine Cables Co., Ltd, Nantong, Jiangsu 226010, China;1. Department of Mechanical Engineering, Najafabad Branch, Islamic Azad University, Najafabad, Iran;2. Department of Mechanical Engineering, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran;1. Department of Mechanical Engineering, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran;2. Young Researchers and Elite Club, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran;3. Laboratory of Magnetism and Magnetic Materials, Advanced Institute of Materials Science, Ton Duc Thang University, Ho Chi Minh City, Vietnam;4. Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam

Abstract:	Pressure-driven water flow through carbon nanotubes (CNTs) is examined using molecular dynamics simulation. The results are compared to reported experimental flow rate measurements through similarly sized CNTs and larger carbon nanopipes. By using molecular dynamics simulation to predict the variation of water viscosity and slip length with CNT diameter, we find that flow through CNTs with diameters as small as 1.66 nm can be fully understood using continuum fluid mechanics. Potential mechanisms to explain the differences between the flow rates predicted from simulation and those measured in experiments are identified and discussed.

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