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 2003 |
| Externally published | Yes |
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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 journal › Article
}
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 -