NEMD simulation data for methane-brine two-phase flow in quartz nanopores

This dataset contains LAMMPS fix ave/chunk output files from non-equilibrium molecular dynamics (NEMD) simulations reported in the associated publication. The files contain spatially binned density and velocity profiles from production runs. eqmch4.dat contains methane profiles and eqmwt.dat contains water profiles. For each condition, the last 3 ns of data under steady-state conditions were used for analysis. For detailed simulation parameters and analysis methods, please refer to the associated paper.本数据集包含相关已发表论文中报道的非平衡分子动力学（non-equilibrium molecular dynamics, NEMD）模拟所生成的LAMMPS fix ave/chunk输出文件。这些文件包含生产模拟阶段得到的空间分箱密度与速度分布数据。eqmch4.dat 文件包含甲烷的分布数据，eqmwt.dat 文件包含水的分布数据。针对每种模拟条件，均采用稳态条件下最后3纳秒（ns）的数据开展分析。如需了解详细的模拟参数与分析方法，请参阅相关论文。