A 3D-RISM study of water and potassium ion adsorption in Montmorillonite nanoclay

N. Ruankaew, A. Kristinawati, N. Yoshida, S. Phongphanphanee

Research output: Contribution to journalConference articlepeer-review

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.

Original languageEnglish
Article number012060
JournalIOP Conference Series: Materials Science and Engineering
Volume773
Issue number1
DOIs
Publication statusPublished - Mar 4 2020
Event2nd International Conference on Materials Research and Innovation, ICMARI 2019 - Bangkok, Thailand
Duration: Dec 16 2019Dec 18 2019

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Engineering(all)

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