Transport phenomena in kaolinite clay: Molecular simulation,homogenization analysis and similitude law |
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| Authors: | Jung Hae Choi A H M Faisal Anwar Katsuyuki Kawamura Yasuaki Ichikawa |
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| Institution: | 1. Department of Environmental Engineering and Architecture, Nagoya University, Nagoya 464‐8601, Japan;2. Department of Water Resource Engineering, Bangladesh University of Engineering and Technology, Dhaka 1000, Bangladesh;3. Department of Earth and Planetary Science, Tokyo Institute of Technology, Meguro‐ku, Tokyo 152‐8551, Japan |
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| Abstract: | Kaolinite is a common clay mineral. It is a nanomaterial with a platelet crystalline structure. In order to analyze the behavior of kaolinite, its microscopic structure and material properties must be specified correctly. A molecular dynamics (MD) simulation is used for determining the microscale properties of hydrated kaolinite, and these properties are introduced into a multiscale homogenization analysis (HA). We previously developed such an MD/HA technique to investigate seepage, diffusion, sorption and consolidation in bentonite clay (Proceedings of the Science Basis for Nuclear Waste Management, Davos, Switzerland, vol. XXI. Material Research Society: Warrendale, PA, 1997; 359–366; Eng. Geol. 1999; 54 :21–31; Eng. Geol. 2001; 60 :127–138; Coupled Thermo‐Hydro‐Mechanical‐Chemical Processes in Geo‐systems. Elsevier: Amsterdam, 2005; 457–464). We here apply the method to kaolinite clay to investigate the permeability, diffusion and related similitude law. The obtained results are supported by existing experimental data. Copyright © 2008 John Wiley & Sons, Ltd. |
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| Keywords: | kaolinite molecular dynamics homogenization analysis seepage diffusion similitude law |
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