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- W2316529162 abstract "Numerical simulations are performed to identify the thermodynamical origin of the long-range gap detected during the swelling of charged rigid lamellae neutralized by monovalent counterions. The short-ranged ion/lamella and water/lamella van der Waals interactions are shown to be responsible for the large activation energy responsible for the coexistence between swollen and unswollen charged interface in the presence of bulk water. The variation of the amount of confined water molecules as a function of the interlamellar separation is determined by Grand Canonical Monte Carlo simulations, while the dynamical behavior of the confined ions and water molecules is analyzed by numerical simulations of Molecular Dynamics." @default.
- W2316529162 created "2016-06-24" @default.
- W2316529162 creator A5069093170 @default.
- W2316529162 date "2011-12-09" @default.
- W2316529162 modified "2023-09-25" @default.
- W2316529162 title "Toward a Detailed Molecular Analysis of the Long-Range Swelling Gap of Charged Rigid Lamellae Dispersed in Water" @default.
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- W2316529162 doi "https://doi.org/10.1021/jp208662y" @default.
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