Mass transport of multicomponents solute in bentonite clay

Y. Ichikawa, Katsuyuki Kawamura, M. Nakano, K. Kitayama, N. Saito, H. Kawamura, S. Yamamoto

Research output: Contribution to journalConference articlepeer-review


A fundamental concept combining a molecular behavior and macro-continuum phenomenon is presented for a multicomponent solute diffusion problem in bentonite clay, which is a key component of the Engineering Barrier System (EBS) of high-level radioactive waste disposal (HLRW). Bentonite is a micro-inhomogeneous material. Properties of the saturated bentonite are characterized by the constituent clay mineral (montmorillonite) and water, namely montmorillonite hydrate. We analyze its molecular behavior by applying a molecular dynamics (MD) simulation to inquire into the physicochemical properties such as diffusivity of chemical species. For extending the microscopic characteristics of constituent materials to a macroscopic diffusion behavior of the micro-inhomogeneous material we apply a homogenization analysis (HA).

Original languageEnglish
Pages (from-to)617-628
Number of pages12
JournalMaterials Research Society Symposium - Proceedings
Publication statusPublished - Dec 1 2001
Externally publishedYes
EventScientific Basis for Nuclear Waste Management XXIV - Sydney, Australia
Duration: Aug 27 2000Aug 31 2000

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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