Thermal transpiration through single walled carbon nanotubes and graphene channels

JF Thekkethala and SP Sathian, JOURNAL OF CHEMICAL PHYSICS, 139, 174712 (2013).

DOI: 10.1063/1.4828705

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 (epsilon(fw)), diffusivity (D), and viscosity of the fluid (mu) 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 in the CNTs. (C) 2013 AIP Publishing LLC.

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