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- W2108715087 abstract "Monte Carlo simulations based on tested water-water, cation-water, and water-clay potential functions were applied to calculate radial distribution functions for O-O, O-H and H-H spatial correlations in the interlayer region of the two-layer hydrates of Na- and K-montmorillonite. The simulated radial distribution functions then were used to compute the total radial distribution function for interlayer water, a physical quantity that can be determined experimentally by H/D isotopic-difference neutron diffraction. The simulated total radial distribution functions were compared with that for bulk liquid water, and with a total radial distribution function determined experimentally for the two-layer hydrate of Na-montmorillonite by Powell et al. (1997). This comparison suggested that water molecules in the two-layer hydrate of montmorillonite have nearest-neighbor configurations which differ significantly from the tetrahedral ordering of nearest neighbors that characterizes bulk liquid water." @default.
- W2108715087 created "2016-06-24" @default.
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- W2108715087 date "1999-01-01" @default.
- W2108715087 modified "2023-10-11" @default.
- W2108715087 title "Monte Carlo Simulation of the Total Radial Distribution Function for Interlayer Water in Sodium and Potassium Montmorillonites" @default.
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- W2108715087 doi "https://doi.org/10.1346/ccmn.1999.0470209" @default.
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