Molecular dynamics simulation on kinetic boundary conditions of gas-vapor binary mixture

Kobayashi, Kazumichi; Sasaki, Kiyofumi; Kon, Masafumi; Fujii, Hiroyuki; Watanabe, Masao

doi:10.1063/1.4967622

Cited by 2 publications

(1 citation statement)

References 17 publications

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“…The concept of using two boundaries was proposed by Meland et al (2004) and Gu et al (2010a); we improved the method incorporating the concept of spontaneous evaporation [Ishiyama et al (2004)]. Furthermore, the authors carried out an equilibrium MD simulation using the improved method, and showed that this method is capable of constructing the KBC for the nonequilibrium single-component and equilibrium binary mixture problems ; Kobayashi et al (2016a)]. Thus, the aim of this study is to develop KBCs for the vapor-NC gas binary mixture in equilibrium by changing both the molar fraction of gas in the liquid and the temperature.…”

Section: Introductionmentioning

confidence: 99%

Kinetic boundary conditions for vapor–gas binary mixture

Kobayashi

Sasaki

Kon

et al. 2017

Microfluid Nanofluid

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Section: Introductionmentioning

confidence: 99%

Kinetic boundary conditions for vapor–gas binary mixture

Kobayashi

Sasaki

Kon

et al. 2017

Microfluid Nanofluid

Self Cite

View full text Add to dashboard Cite

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Molecular dynamics simulation of kinetic boundary conditions and evaporation/condensation coefficients of direct-contact condensation in two-phase jet

Zhou

2022

AIP Advances

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Using non-equilibrium molecular dynamics simulations, the kinetic boundary condition (KBC) for direct-contact condensation in two-phase jet and its evaporation and condensation coefficients were studied to solve the Boltzmann equation. The evaporating and reflecting molecular behaviors were studied in detail. The normalized velocity distributions of reflecting molecules in the z-direction before and after reflection fit the Maxwell velocity distribution shifted by two large macroscopic velocities toward and away from the liquid surface owing to the strong net condensation rate. A singular definition of the evaporation coefficient has not been obtained in previous studies. We used a two-boundary method to count the evaporation coefficient and define a parameter to connect our result and the spontaneous evaporation coefficient. The condensation coefficient was studied using the condensation probability and showed larger than the evaporation coefficient in direct-contact condensation states. Both the evaporation and condensation coefficients were not independent of the incoming mass flux. When the incoming mass flux was small, the values of these two coefficients were close to the values under equilibrium states. Based on these results, we constructed the KBC of direct-contact condensation.

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Molecular dynamics simulation on kinetic boundary conditions of gas-vapor binary mixture

Cited by 2 publications

References 17 publications

Kinetic boundary conditions for vapor–gas binary mixture

Kinetic boundary conditions for vapor–gas binary mixture

Molecular dynamics simulation of kinetic boundary conditions and evaporation/condensation coefficients of direct-contact condensation in two-phase jet

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