| Project/Area Number |
14350256
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Geotechnical engineering
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| Research Institution | Nagoya University |
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Principal Investigator |
ICHIKAWA Yasuaki Nagoya University, Dept of Environmental Eng. And Architecture, Associate Prof., 環境学研究科, 助教授 (30126833)
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| Co-Investigator(Kenkyū-buntansha) |
KAWAMURA Katsuyuki Tokyo Institute of Technology, Dept of Earth and Planetary Science, Prof., 理工学研究科, 教授 (00126038)
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| Project Period (FY) |
2002 – 2005
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| Project Status |
Completed (Fiscal Year 2005)
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| Budget Amount *help |
¥11,500,000 (Direct Cost: ¥11,500,000)
Fiscal Year 2005: ¥2,600,000 (Direct Cost: ¥2,600,000)
Fiscal Year 2004: ¥2,500,000 (Direct Cost: ¥2,500,000)
Fiscal Year 2003: ¥2,400,000 (Direct Cost: ¥2,400,000)
Fiscal Year 2002: ¥4,000,000 (Direct Cost: ¥4,000,000)
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| Keywords | toxic waste / isolation technology / bentonite / micro-structure / diffusion / molecular dynamics / micro and macro / homogenization analysis |
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| Research Abstract |
For waste management of toxic materials it is keenly required to understand the true physical and chemical process of the transport phenomena and to improve reliability of the safety assessment, since any conventional methods based on experimental models involve difficulty to estimate the robustness. In order to solve this difficulty we start with the molecular dynamics (MD) simulation method for understanding the molecular-based fundamental properties such as an ionic state and diffusion characteristics of hydrated smectite clay minerals, and we extend the microscale properties to the macroscale behaviors by applying the multiscale homogenization analysis (HA) method.
In the MD simulation we precisely simulated the molecular behaviors of cations and H_2O in the neighborhood of a clay mineral. In FY2002 the swelling property and diffusivity of interlayer cations, Cs and Ca, were calculated. In FY2003 the interatomic potential model was improved, and the diffusivity of several interlayer cations were calculated. In FY2004 the interatomic potential model was further improved, and the swelling and diffusive properties became more realistic. Then the coordination number of cations were calculated. In FY2005 properties of kaolinite were calculated.
A microscopic image is important to specify micro/macro behavior of bentonite. In FY2002 we observed microstructures of bentonite by using a confocal laser scanning microscope (LSM). In FY2003 based on the knowledge of the local material properties obtained by MD and the microscopic observation we simulated the micro-/macro-behavior of diffusion experiments of the bentonite which included the microscale adsorption characteristics at the edges of clay minerals by using a HA method. In FY2004 the HA model including micro-sorption was improved. In FY2005 microscale properties of mudstone were discussed.
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