Water flow and diffusion problem in bentonite: molecular simulation and homogenization analysis

Yasuaki Ichikawa, S. Prayongphan, K. Kawamura, K. Kitayama

Research output: Contribution to journalArticle

1 Citation (Scopus)


We here treat a diffusion problem coupled with water flow in bentonite. The remarkable behavior originates from molecular characteristics of its constituent clay mineral, namely montmorillonite, and we show the behavior based on a unified simulation procedure starting with the molecular dynamic (MD) method and extending the obtained local characteristics to a macroscale behavior by the multiscale homogenization analysis (HA: Sanchez-Palencia, 1980). Not only the macroscale effective diffusion property but also the adsorption behavior is well defined based on this method.

Original languageEnglish
Pages (from-to)457-464
Number of pages8
JournalElsevier Geo-Engineering Book Series
Issue numberC
Publication statusPublished - 2004
Externally publishedYes


ASJC Scopus subject areas

  • Geotechnical Engineering and Engineering Geology

Cite this