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Title: Thermal transpiration through single walled carbon nanotubes and graphene channels

Thermal transpiration through carbon nanotubes (CNTs) and graphene channels is studied using molecular dynamics (MD) simulations. The system consists of two reservoirs connected by a CNT. It is observed that a flow is developed inside the CNT from the low temperature reservoir to the high temperature reservoir when the two reservoirs are maintained at different temperatures. The influence of channel size and temperature gradient on the mean velocity is analysed by varying the CNT diameter and the temperature of one of the reservoirs. Larger flow rate is observed in the smaller diameter CNTs showing an increase in the mean velocity with increase in the temperature gradient. For the flow developed inside the CNTs, slip boundaries occur and the slip length is calculated using the velocity profile. We examine the effect of fluid-wall interaction strength (ε{sub fw}), diffusivity (D), and viscosity of the fluid (μ) on the temperature induced fluid transport through the CNTs. Similar investigations are also carried out by replacing the CNT with a graphene channel. Results show that the mean velocity of the fluid atoms in the graphene channel is lower than that through the CNTs. This can be attributed to the higher degree of confinement observed inmore » the CNTs.« less
Authors:
;  [1]
  1. Computational Nanotechnology Laboratory, School of Nano Science and Technology, National Institute of Technology Calicut, Kozhikode, Kerala - 673601 (India)
Publication Date:
OSTI Identifier:
22251530
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 139; Journal Issue: 17; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CARBON NANOTUBES; FLOW RATE; FLUIDS; GRAPHENE; INTERACTIONS; MOLECULAR DYNAMICS METHOD; SIMULATION; TEMPERATURE GRADIENTS; VELOCITY