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 journalArticlepeer-review

6 Citations (Scopus)


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
Issue number5
Publication statusPublished - Apr 10 2009
Externally publishedYes


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

ASJC Scopus subject areas

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


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