TY - JOUR
T1 - Transport phenomena in kaolinite clay
T2 - Molecular simulation, homogenization analysis and similitude law
AU - Choi, Jung Hae
AU - Anwar, A. H.M.Faisal
AU - Kawamura, Katsuyuki
AU - Ichikawa, Yasuaki
PY - 2009/4/10
Y1 - 2009/4/10
N2 - 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.
AB - 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.
KW - Diffusion
KW - Homogenization analysis
KW - Kaolinite
KW - Molecular dynamics
KW - Seepage
KW - Similitude law
UR - http://www.scopus.com/inward/record.url?scp=67649989587&partnerID=8YFLogxK
U2 - 10.1002/nag.744
DO - 10.1002/nag.744
M3 - Article
AN - SCOPUS:67649989587
SN - 0363-9061
VL - 33
SP - 687
EP - 707
JO - International Journal for Numerical and Analytical Methods in Geomechanics
JF - International Journal for Numerical and Analytical Methods in Geomechanics
IS - 5
ER -