Molecular dynamics simulation of classical thermosize effects

Gulru Babac, Jason M. Reese

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)39-53
Number of pages15
JournalNanoscale and Microscale Thermophysical Engineering
Issue number1
Early online date10 Jan 2014
Publication statusPublished - 27 Jan 2014


  • gas flow in micro/nano channels
  • molecular dynamics
  • rarefied gas dynamics
  • thermosize effects


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