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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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.