Mass transport of multicomponents solute in bentonite clay

Yasuaki Ichikawa, Kats Kawamura, M. Nakano, K. Kitayama, N. Saito, H. Kawamura, S. Yamamoto

Research output: Chapter in Book/Report/Conference proceedingConference contribution


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
Title of host publicationMaterials Research Society Symposium - Proceedings
EditorsK.P. Hart, G.R. Lumpkin
Number of pages12
Publication statusPublished - 2001
Externally publishedYes
EventScientific Basis for Nuclear Waste Management XXIV - Sydney, Australia
Duration: Aug 27 2000Aug 31 2000


OtherScientific Basis for Nuclear Waste Management XXIV


ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

Cite this

Ichikawa, Y., Kawamura, K., Nakano, M., Kitayama, K., Saito, N., Kawamura, H., & Yamamoto, S. (2001). Mass transport of multicomponents solute in bentonite clay. In K. P. Hart, & G. R. Lumpkin (Eds.), Materials Research Society Symposium - Proceedings (Vol. 663, pp. 617-628)