Micro-structure of bentonite clay and diffusion coefficient given by multiscale homogenization analysis

Naoki Fujii; Yasuaki Ichikawa; Katsuyuki Kawamura; Satoru Suzuki; Kazumi Kitayama

Micro-structure of bentonite clay and diffusion coefficient given by multiscale homogenization analysis

Naoki Fujii, Yasuaki Ichikawa, Katsuyuki Kawamura, Satoru Suzuki, Kazumi Kitayama

Graduate School of Environmental and Life Science

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

Bentonite consists of nanometer scale of smectitic clay minerals (mainly montmorillonite) and micrometer scale of macro-grains (mainly quatz). Properties of saturated bentonite are characterized by hydrated clay minerals. For a diffusion problem in bentonite we developed a new multiscale homogenization analysis (HA) procedure which relates microscale characteristics with a macroscopic behavior. We discuss diffusion properties of tritium water (HTO) compared with experimental data. Microscopic properties of the montmorillonite hydrate such as diffusivity of chemical species which are used in HA are determined by a molecular dynamics (MD) simulation method. We show the calculated results are consistent with macroscale experimental data.

Original language	English
Pages (from-to)	117-124
Number of pages	8
Journal	Materials Science Research International
Volume	9
Issue number	2
Publication status	Published - Jun 1 2003

Keywords

Bentonite
Diffusion
Geological disposal
HTO
Molecular dynamics
Montmorillonite hydrate
Multiscale homogenization analysis

ASJC Scopus subject areas

Materials Science(all)

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title = "Micro-structure of bentonite clay and diffusion coefficient given by multiscale homogenization analysis",

abstract = "Bentonite consists of nanometer scale of smectitic clay minerals (mainly montmorillonite) and micrometer scale of macro-grains (mainly quatz). Properties of saturated bentonite are characterized by hydrated clay minerals. For a diffusion problem in bentonite we developed a new multiscale homogenization analysis (HA) procedure which relates microscale characteristics with a macroscopic behavior. We discuss diffusion properties of tritium water (HTO) compared with experimental data. Microscopic properties of the montmorillonite hydrate such as diffusivity of chemical species which are used in HA are determined by a molecular dynamics (MD) simulation method. We show the calculated results are consistent with macroscale experimental data.",

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T1 - Micro-structure of bentonite clay and diffusion coefficient given by multiscale homogenization analysis

AU - Fujii, Naoki

AU - Ichikawa, Yasuaki

AU - Kawamura, Katsuyuki

AU - Suzuki, Satoru

AU - Kitayama, Kazumi

PY - 2003/6/1

Y1 - 2003/6/1

N2 - Bentonite consists of nanometer scale of smectitic clay minerals (mainly montmorillonite) and micrometer scale of macro-grains (mainly quatz). Properties of saturated bentonite are characterized by hydrated clay minerals. For a diffusion problem in bentonite we developed a new multiscale homogenization analysis (HA) procedure which relates microscale characteristics with a macroscopic behavior. We discuss diffusion properties of tritium water (HTO) compared with experimental data. Microscopic properties of the montmorillonite hydrate such as diffusivity of chemical species which are used in HA are determined by a molecular dynamics (MD) simulation method. We show the calculated results are consistent with macroscale experimental data.

AB - Bentonite consists of nanometer scale of smectitic clay minerals (mainly montmorillonite) and micrometer scale of macro-grains (mainly quatz). Properties of saturated bentonite are characterized by hydrated clay minerals. For a diffusion problem in bentonite we developed a new multiscale homogenization analysis (HA) procedure which relates microscale characteristics with a macroscopic behavior. We discuss diffusion properties of tritium water (HTO) compared with experimental data. Microscopic properties of the montmorillonite hydrate such as diffusivity of chemical species which are used in HA are determined by a molecular dynamics (MD) simulation method. We show the calculated results are consistent with macroscale experimental data.

KW - Bentonite

KW - Diffusion

KW - Geological disposal

KW - HTO

KW - Molecular dynamics

KW - Montmorillonite hydrate

KW - Multiscale homogenization analysis

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