Transport phenomena in kaolinite clay: Molecular simulation, homogenization analysis and similitude law

Jung Hae Choi, A. H M Faisal Anwar, Katsuyuki Kawamura, Yasuaki Ichikawa

Research output: Contribution to journalArticle

4 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)687-707
Number of pages21
JournalInternational Journal for Numerical and Analytical Methods in Geomechanics
Volume33
Issue number5
DOIs
Publication statusPublished - Apr 10 2009
Externally publishedYes

Fingerprint

Kaolin
Kaolinite
kaolinite
Clay
clay
simulation
Molecular dynamics
Radioactive Waste
Bentonite
Seepage
dynamic analysis
Waste management
Platelets
Radioactive wastes
Clay minerals
bentonite
chemical process
Nanostructured materials
Consolidation
radioactive waste

Keywords

  • Diffusion
  • Homogenization analysis
  • Kaolinite
  • Molecular dynamics
  • Seepage
  • Similitude law

ASJC Scopus subject areas

  • Geotechnical Engineering and Engineering Geology
  • Materials Science(all)
  • Mechanics of Materials
  • Computational Mechanics

Cite this

Transport phenomena in kaolinite clay : Molecular simulation, homogenization analysis and similitude law. / Choi, Jung Hae; Anwar, A. H M Faisal; Kawamura, Katsuyuki; Ichikawa, Yasuaki.

In: International Journal for Numerical and Analytical Methods in Geomechanics, Vol. 33, No. 5, 10.04.2009, p. 687-707.

Research output: Contribution to journalArticle

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