Additional Data: Mass Transfer Through Vapor-Liquid Interfaces From Hydrodynamic Density Functional Theory

Results from hydrodynamic density functional theory and non-equilibrium molecular dynamics simulations (created with LAMMPS) for the mass transfer through vapor-liquid interfaces. Provided as Python pickle files (.p), which store Python dicts of the density and flux profiles for two temperatures and two mixtures. In addition, a jupyter notebook (.ipynb) for the creation of plots is provided.

本数据集收录了气液界面传质过程的流体力学密度泛函理论（hydrodynamic density functional theory）与非平衡分子动力学模拟结果，模拟工作通过LAMMPS完成。数据以Python pickle文件（.p格式）存储，文件内保存了两种温度、两种混合体系对应的密度与通量分布的Python字典。此外，还附带了用于生成可视化图表的Jupyter Notebook（.ipynb格式）文件。