@article{72f6f32d72294b84897c871be2937faa,
title = "Hydration and dehydration of water of bentonite: A solid-state 1H magic-angle spinning NMR study",
abstract = "Molecular-level interactions of interlayer water near the montmorillonite surfaces were investigated on commercial bentonite using solid-state 1H magic-angle spinning NMR spectroscopy. It was observed that when the water content was higher than about 3 wt%, the chemical shift of samples increases as the increase in water content, while it decreases when the water content was lower than about 3 wt% with the increase of water content. Dehydration experiments at low water content and theoretical calculation showed that there might be two types of interaction in the interlayer space of montmorillonite: the water-water interaction and cation-water interaction. Water-water interaction was dominant at relatively high water content and cation-water interaction was dominant at relatively low water contents. The water-water interaction formed loosely bound water and the water-cation interaction formed tightly bound water near the montmorillonite surfaces.",
keywords = "Bentonite, Cation-water cluster, Clay, Dehydration, Density functional theory, Hydration, Montmorillonite, Nuclear magnetic resonance",
author = "Hailong Wang and Toshimichi Shibue and Hideo Komine",
note = "Funding Information: The work was performed as an activity of the Research Institute of Sustainable Future Society, Waseda Research Institute for Science and Engineering, Waseda University . This study was supported by the Ministry of Economy, Trade and Industry (METI) of Japan. The solid-state 1 H MAS NMR experiments and DFT calculations were supported by the materials characterization central laboratory, Waseda University [42] . We thank Iain Mackie, PhD, from Edanz Group (www.edanzediting.com/ac) for editing a draft of this manuscript. Comments from two anonymous reviewers helped to improve the quality of the paper. Funding Information: The work was performed as an activity of the Research Institute of Sustainable Future Society, Waseda Research Institute for Science and Engineering, Waseda University. This study was supported by the Ministry of Economy, Trade and Industry (METI) of Japan. The solid-state 1H MAS NMR experiments and DFT calculations were supported by the materials characterization central laboratory, Waseda University [42]. We thank Iain Mackie, PhD, from Edanz Group (www.edanzediting.com/ac) for editing a draft of this manuscript. Comments from two anonymous reviewers helped to improve the quality of the paper. Publisher Copyright: {\textcopyright} 2020 Elsevier B.V.",
year = "2020",
month = aug,
day = "1",
doi = "10.1016/j.chemphys.2020.110796",
language = "English",
volume = "536",
journal = "Chemical Physics",
issn = "0301-0104",
publisher = "Elsevier",
}