TY - JOUR
T1 - A 3D-RISM study of water and potassium ion adsorption in Montmorillonite nanoclay
AU - Ruankaew, N.
AU - Kristinawati, A.
AU - Yoshida, N.
AU - Phongphanphanee, S.
N1 - Funding Information:
This work was supported by the Kasetsart University Research and Development Institute (KURDI).
Publisher Copyright:
© Published under licence by IOP Publishing Ltd.
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/3/4
Y1 - 2020/3/4
N2 - 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.
AB - 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.
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U2 - 10.1088/1757-899X/773/1/012060
DO - 10.1088/1757-899X/773/1/012060
M3 - Conference article
AN - SCOPUS:85082583429
VL - 773
JO - IOP Conference Series: Materials Science and Engineering
JF - IOP Conference Series: Materials Science and Engineering
SN - 1757-8981
IS - 1
M1 - 012060
T2 - 2nd International Conference on Materials Research and Innovation, ICMARI 2019
Y2 - 16 December 2019 through 18 December 2019
ER -