HUSCAP logo Hokkaido Univ. logo

Hokkaido University Collection of Scholarly and Academic Papers >
Graduate School of Engineering / Faculty of Engineering >
Peer-reviewed Journal Articles, etc >

Monte Carlo analysis of montmorillonite particle structures and modeling of dissolution rate reduction

Files in This Item:
terada_final.pdf2.11 MBPDFView/Open
Please use this identifier to cite or link to this item:

Title: Monte Carlo analysis of montmorillonite particle structures and modeling of dissolution rate reduction
Authors: Terada, Kenichi Browse this author
Tani, Akiho Browse this author
Harada, Shusaku Browse this author →KAKEN DB
Satoh, Hisao Browse this author
Hayashi, Daisuke Browse this author
Keywords: montmorillonite
equilibrium structure
dissolution rate
effective edge surface area
Issue Date: Mar-2019
Publisher: IOP Publishing
Journal Title: Materials Research Express
Volume: 6
Issue: 3
Start Page: 035514
Publisher DOI: 10.1088/2053-1591/aaf829
Abstract: The equilibrium structure of montmorillonite clay particles was calculated using Monte Carlo simulation to evaluate the long-term behavior of alteration for bentonite buffer materials in geological repositories of radioactive waste. It has been experimentally observed that the dissolution rate of montmorillonite strongly decreases as the density increases. One of the primary causes of this reduction in dissolution rate is the reduction in reactive surface area when the edges of particles are covered with other particles (physical masking). In this study, we proposed a geometrical model in which the masking area (the edge surface masked by other particles) is calculated from the edge-to-face distance of particles. The effective edge surface area (ESA) from the equilibrium structure obtained from Monte Carlo simulation was computed using the masking model. The numerical results of the effective ESA are in good agreement with the experimental measurements of the dissolution rate by atomic force microscopy in a wide range of density conditions. Moreover, we propose a prediction expression of the effective ESA of montmorillonite particles over a wide range of density conditions, which produces physically reasonable predictions.
Rights: This is a peer-reviewed, un-copyedited version of an article accepted for publication/published in Materials Research Express. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at
Type: article (author version)
Appears in Collections:工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 原田 周作

Export metadata:

OAI-PMH ( junii2 , jpcoar_1.0 )

MathJax is now OFF:


 - Hokkaido University