Molecular dynamics simulation of classical thermosize effects

Babac, Gulru and Reese, Jason M. (2014) Molecular dynamics simulation of classical thermosize effects. Nanoscale and Microscale Thermophysical Engineering, 18 (1). pp. 39-53. ISSN 1556-7265

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Abstract

We present the first molecular dynamics simulations of classical thermosize effects for realistic molecular conditions and flows. The classical thermosize effect is the chemical potential difference induced between two different-sized channels that have different fluid transport processes. It can be generated by applying a temperature gradient within the different-sized domains, and in this article the system investigated is a combination of a microchannel and a nanochannel. Our molecular dynamics results are compared with a theoretical calculation of the induced chemical potential difference, and this yields useful new insight into diffusive transport in nonequilibrium gas flows.

ORCID iDs

Babac, Gulru and Reese, Jason M. ORCID logoORCID: https://orcid.org/0000-0001-5188-1627;