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Molecular dynamics study on evaporation and reflection of monatomic molecules to construct kinetic boundary condition in vapor–liquid equilibria

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タイトル: Molecular dynamics study on evaporation and reflection of monatomic molecules to construct kinetic boundary condition in vapor–liquid equilibria
著者: Kobayashi, Kazumichi 著作を一覧する
Hori, Kazumasa 著作を一覧する
Kon, Misaki 著作を一覧する
Sasaki, Kiyofumi 著作を一覧する
Watanabe, Masao 著作を一覧する
キーワード: Condensation coefficient
Interface
Simulation
Fluid
State
Phase
Temperatures
Water
発行日: 2016年 9月
出版者: Springer
誌名: Heat and Mass Transfer
巻: 52
号: 9
開始ページ: 1851
終了ページ: 1859
出版社 DOI: 10.1007/s00231-015-1700-6
抄録: Using molecular dynamics simulations, the present study investigates the precise characteristics of evaporating and reflecting monatomic molecules (argon) composing a kinetic boundary condition (KBC) in a vapor–liquid equilibria. We counted the evaporating and reflecting molecules utilizing two boundaries (vapor and liquid boundaries) proposed by the previous studies (Meland et al. in Phys Fluids 16:223–243, 2004; Gu et al. in Fluid Phase Equilib 297:77–89, 2010). In the present study, we improved the method using the two boundaries incorporating the concept of the spontaneously evaporating molecular mass flux. The present method allows us to count the evaporating and reflecting molecules easily, to investigate the detail motion of the evaporating and reflecting molecules, and also to evaluate the velocity distribution function of the KBC at the vapor–liquid interface, appropriately. From the results, we confirm that the evaporating and reflecting molecules in the normal direction to the interface have slightly faster and significantly slower average velocities than that of the Maxwell distribution at the liquid temperature, respectively. Also, the stall time of the reflecting molecules at the interphase that is the region in the vicinity of the vapor–liquid interface is much shorter than those of the evaporating molecules. Furthermore, we discuss our method for constructing the KBC that incorporates condensation and evaporation coefficients. Based on these results, we suggest that the proposed method is appropriate for investigating KBC in various nonequilibrium states or multi-component systems.
Rights: The final publication is available at link.springer.com
資料タイプ: article (author version)
URI: http://hdl.handle.net/2115/67078
出現コレクション:雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

提供者: 小林 一道

 

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