2023
DOI: 10.1016/j.desal.2023.116889
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Seawater pervaporation through carbon honeycomb membrane: A molecular dynamics study

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Cited by 4 publications
(1 citation statement)
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“…When the net charge of the ligand-bonded complex is not neutral, the spatial electrostatic potential distribution caused by the electric field forces the ion clusters to move in a single direction. Such mass transfer behavior can be quantified using the mean square displacement (MSD) of the ion core as follows: 43 where N is the total number of ions of interest and x i ( t ) is the position of the i -th ion core at time t . The profile of the MSD and its gradient were continuously tracked until the ions penetrated the UiO-66-(NH 2 ) 2 region and some reached the pure water region.…”
Section: Models and Methodsmentioning
confidence: 99%
“…When the net charge of the ligand-bonded complex is not neutral, the spatial electrostatic potential distribution caused by the electric field forces the ion clusters to move in a single direction. Such mass transfer behavior can be quantified using the mean square displacement (MSD) of the ion core as follows: 43 where N is the total number of ions of interest and x i ( t ) is the position of the i -th ion core at time t . The profile of the MSD and its gradient were continuously tracked until the ions penetrated the UiO-66-(NH 2 ) 2 region and some reached the pure water region.…”
Section: Models and Methodsmentioning
confidence: 99%