Sample simulation files for "Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study"

This dataset contains sample simulation input files to run Molecular Dynamics simulations of CO2/H2S loaded and unloaded aqueous MDEA solutions.本数据集包含用于开展二氧化碳（CO₂）、硫化氢（H₂S）负载与未负载状态下的含水甲基二乙醇胺（MDEA）溶液分子动力学（Molecular Dynamics）模拟的示例输入文件。