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A comparison of models for the evaporation of the Lennard-Jones fluid

机译：Lennard-Jones流体蒸发模型的比较

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The evaporation of a thin liquid film is studied by a diffuse interface model whose thermodynamic and transport properties are consistent with those of the Lennard-Jones fluid. Solutions are obtained for various liquid film temperatures and downstream vapor flow velocities. The results are compared with reference molecular dynamics simulations of a system of atoms interacting by the 6-12 Lenard-Jones potential. It is shown that the diffuse interface model underestimates the temperature drop across the non-equilibrium vapor region next to the liquid-vapor interface but overestimates the density drop, thus predicting smaller evaporation rates. Results indicates that the discrepancies between molecular dynamics and diffuse interface model predictions become smaller when the liquid film temperature approaches the critical temperature and the vapor becomes a dense, non-ideal gas. Further successful comparisons of molecular dynamics results with the predictions of a hybrid model, combining the continuum description of the liquid with the kinetic description of the vapor, suggest that the observed discrepancies can be attributed to poor description of the Knudsen layer provided by the diffuse interface model when the vapor phase is dilute. (C) 2017 Elsevier Masson SAS. All rights reserved.
机译：通过漫射界面模型研究了薄液膜的蒸发，其热力学和运输性能与Lennard-Jones流体的延伸性能一致。获得各种液体膜温度和下游蒸汽流速的溶液。将结果与由6-12 Lenard-Jone潜力相互作用的原子系统的参考分子动力学模拟。结果表明，漫反射界面模型低估了液体 - 蒸汽界面旁边的非平衡蒸汽区域上的温度下降，但高估了密度下降，从而预测较小的蒸发速率。结果表明，当液体膜温度接近临界温度并且蒸汽变为致密的非理想气体时，分子动力学和漫射界面模型预测之间的差异变得更小。进一步成功的分子动力学比较结果与混合模型的预测结果，将液体的连续性描述与蒸气的动力学描述相结合，表明观察到的差异可以归因于漫反射界面提供的knudsen层的描述较差当气相稀释时的模型。 （c）2017年Elsevier Masson SAS。版权所有。

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