A 3D-RISM study of water and potassium ion adsorption in Montmorillonite nanoclay. Issue 1 (February 2020)

• Record Type: Journal Article
• Authors: Ruankaew, N; Kristinawati, A; Yoshida, N; Phongphanphanee, S
• Is Part Of: IOP conference series. Volume 773:Issue 1(2020)
• Publication Date: 2020-02
• Subjects: Materials science -- Periodicals; 620.1105
• DOI: 10.1088/1757-899X/773/1/012060
• Languages: English
• ISSNs: 1757-8981

Abstract

Abstract: 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.