TY - CHAP
T1 - Water flow and diffusion problem in bentonite
T2 - molecular simulation and homogenization analysis
AU - Ichikawa, Y.
AU - Prayongphan, S.
AU - Kawamura, Katsuyuki
AU - Kitayama, K.
PY - 2004
Y1 - 2004
N2 - 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.
AB - 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.
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U2 - 10.1016/S1571-9960(04)80083-1
DO - 10.1016/S1571-9960(04)80083-1
M3 - Chapter
AN - SCOPUS:44949153819
T3 - Elsevier Geo-Engineering Book Series
SP - 457
EP - 464
BT - Elsevier Geo-Engineering Book Series
PB - Elsevier Ltd
ER -