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Yasuteru Shigeta
Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan
Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry

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Journal : ASEAN Journal of Chemical Engineering

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Molecular Dynamics Simulation of the Nano- scale Solutal Marangoni Convection Yosuke Imai; Takuya Yamamoto; Yasunori Okano; Ryuma Sato; Yasuteru Shigeta
ASEAN Journal of Chemical Engineering Vol 17, No 1 (2017)
Publisher : Department of Chemical Engineering, Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ajche.49563

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.
Co-Authors Ryuma Sato Takuya Yamamoto Yasunori Okano Yosuke Imai