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

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

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)117-124
Number of pages8
JournalMaterials Science Research International
Volume9
Issue number2
Publication statusPublished - Jun 2003
Externally publishedYes

Fingerprint

Bentonite
Clay minerals
Clay
Microstructure
Tritium
Hydrates
Macros
Molecular dynamics
clay
Computer simulation
Water

Keywords

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

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Micro-structure of bentonite clay and diffusion coefficient given by multiscale homogenization analysis. / Fujii, Naoki; Ichikawa, Yasuaki; Kawamura, Katsuyuki; Suzuki, Satoru; Kitayama, Kazumi.

In: Materials Science Research International, Vol. 9, No. 2, 06.2003, p. 117-124.

Research output: Contribution to journalArticle

Fujii, Naoki ; Ichikawa, Yasuaki ; Kawamura, Katsuyuki ; Suzuki, Satoru ; Kitayama, Kazumi. / Micro-structure of bentonite clay and diffusion coefficient given by multiscale homogenization analysis. In: Materials Science Research International. 2003 ; Vol. 9, No. 2. pp. 117-124.
@article{48e0f11d7b8243d7b70c8f550d2abbea,
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.",
keywords = "Bentonite, Diffusion, Geological disposal, HTO, Molecular dynamics, Montmorillonite hydrate, Multiscale homogenization analysis",
author = "Naoki Fujii and Yasuaki Ichikawa and Katsuyuki Kawamura and Satoru Suzuki and Kazumi Kitayama",
year = "2003",
month = "6",
language = "English",
volume = "9",
pages = "117--124",
journal = "Materials Science Research International",
issn = "1341-1683",
publisher = "Chapman & Hall",
number = "2",

}

TY - JOUR

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

Y1 - 2003/6

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

UR - http://www.scopus.com/inward/record.url?scp=0041929398&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0041929398&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0041929398

VL - 9

SP - 117

EP - 124

JO - Materials Science Research International

JF - Materials Science Research International

SN - 1341-1683

IS - 2

ER -