Micro/Macro-Behavior of Water Flow and Diffusion in Clay : Multiscale Homogenization Analysis

概要

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Clay is a micro-inhomogeneous material. For bentonite clay we present here a unified numerical scheme to treat its molecular characteristics and micro/macro-continuum behavior. Note that we commonly use a macro-phenomenological model for analyzing material behavior. However, existing models are not sufficiently effective under extreme conditions such as deeply located clay. We try to resolve this difficulty. Properties of saturated bentonite are characterized by hydrated montmorillonite, the major clay mineral of bentonite. Since the crystalline structure of clay minerals determines fundamental properties, we analyze its molecular behavior by applying a molecular dynamics (MD) simulation and inquire into physicochemical properties of the clay hydrate system such as diffusivity of chemical species. To extend the microscopic characteristics of constituent materials to the macroscopic diffusion behavior of the micro-inhomogeneous material we develop a multiscale homogenization analysis (HA) to treat adsorption behavior at a micro-level.
2002-03-25