In this study, we investigated the intercalation of water and K+ to interlayer of Montmorillonite (MMT) nanoclay by using the statistical mechanics theory of molecular liquids or three-dimensional reference interaction site model (3D-RISM). The results from 3D-RISM show that the distribution of water and K+ bound to the MMT's surfaces with different sites. Moreover, the results from 3D-RISM show the amount of water corresponds to the d-basal spacing of the clay, which are in good agreements with other simulation methods as well as experimental.
|ジャーナル||IOP Conference Series: Materials Science and Engineering|
|出版ステータス||出版済み - 3月 4 2020|
|イベント||2nd International Conference on Materials Research and Innovation, ICMARI 2019 - Bangkok, タイ|
継続期間: 12月 16 2019 → 12月 18 2019
All Science Journal Classification (ASJC) codes