Sample simulation files for "Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study"

This dataset contains sample simulation input files to run Molecular Dynamics simulations of mixtures of CO2, monoethanolamine (MEA), and water.本数据集包含用于运行二氧化碳（CO₂）、单乙醇胺（MEA）与水混合物的分子动力学（Molecular Dynamics）模拟的示例模拟输入文件。