Outer-surface processes dominate the overall mass transfer resistance in small crystals and ultra-thin membranes
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The dataset contains input and output files from the molecular dynamics simulation in the study. The adsorption isotherm calculations were done with LAMMPS, while the rest of the simulations were performed with GROMACS. The concenctration-gradient driven MD simulations were performed in conjunction with PLUMED 2.
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Zenodo创建时间：
2026-06-05
