Molecular Dynamics Simulation of the Nano- scale Solutal Marangoni Convection

https://doi.org/10.22146/ajche.49563

Yosuke Imai(1*), Takuya Yamamoto(2), Yasunori Okano(3), Ryuma Sato(4), Yasuteru Shigeta(5)

(1) Department of Materials Engineering Science, Osaka University, Machikaneyama 1-3, Toyonaka, Osaka 563-8531, Japan
(2) Department of Frontier Science for Advanced Environment, Tohoku University, 6-6-02 Aza Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8579, Japan
(3) Department of Materials Engineering Science, Osaka University, Machikaneyama 1-3, Toyonaka, Osaka 563-8531, Japan
(4) Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan
(5) Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan
(*) Corresponding Author

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.

Keywords


non-equilibrium molecular dynamics, concentration gradient, Marangoni convection, liquid film, flow fields, nano-scale



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DOI: https://doi.org/10.22146/ajche.49563

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ASEAN Journal of Chemical Engineering  (print ISSN 1655-4418; online ISSN 2655-5409) is published by Chemical Engineering Department, Faculty of Engineering, Universitas Gadjah Mada.