Molecular dynamics simulation of the nanoscale solutal marangoni convection

Yosuke Imai, Takuya Yamamoto, Yasunori Okano, Ryuma Sato, Yasuteru Shigeta

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

Non-equilibrium molecular dynamics simulations for the 2- and 3-phase systems were performed to investigate the flow with two free surfaces in a nanoscale, where solute, water, and argon were assigned as each phase. We observed that the behaviors of some 3-phase systems significantly differ from those of 2-phase systems. In all 2-phase systems, the solutes just diffused into the water phase. On the other hand, the solutes were transferred along the liquid-gas interfaces in the case of 3-phase systems with a large surface tension gradient. These results indicated that solutal Marangoni convection existed even in the nano-scale and it affected mass transfer greatly.

Original languageEnglish
Pages (from-to)29-36
Number of pages8
JournalASEAN Journal of Chemical Engineering
Volume17
Issue number1
Publication statusPublished - 2017

Keywords

  • Concentration gradient
  • Flow fields
  • Liquid film
  • Marangoni convection
  • Nano-scale
  • Non-equilibrium molecular dynamics

ASJC Scopus subject areas

  • Chemical Engineering(all)

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