Dataset of "Diffusion in binary LOHC-gas fluids: Toluene, methylcyclohexane, hydrogen, methane, and ethane"
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资源简介：
The dataset contains parameterizations and input files for molecular dynamics simulations used in the study of an impact of dissolved gasses, such as hydrogen, methane, ethane on interfacial properties of toluene/gas and methylcyclohexane/gas. Simulation data for derivation of bulk thermodynamic and transport properties are also provided. For selected conditions, full simulation output, i.e., trajectories and energetics (=raw data) are provided.
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Zenodo创建时间：
2025-11-12
