2001 Fiscal Year Final Research Report Summary
Study on Design Methodology for Inorganic Separation Membranes by Newly Developed Molecular Simulation Method
| Project/Area Number |
11555197
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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 | 展開研究 |
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| Research Field |
化学工学一般
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| Research Institution | The University of Tokyo |
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Principal Investigator |
TAKABA Hiromitsu Graduate School of Engineering, The University of Tokyo, Research Associate, 大学院・工学系研究科, 助手 (80302769)
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| Co-Investigator(Kenkyū-buntansha) |
MIYAMOTO Akira Tohoku University, Graduate school of Engineering, Professor, 大学院・工学系研究科, 教授 (50093076)
YAMAGUCHI Takeo Graduate School of Engineering, The University of Tokyo, Associate Professor, 大学院・工学系研究科, 助教授 (30272363)
NAKAO Shin-ichi Graduate School of Engineering, The University of Tokyo, Professor, 大学院・工学系研究科, 教授 (00155665)
TAKAMI Seiichi Tohoku University, Graduate school of Engineering, Research Associate, 大学院・工学系研究科, 助手 (40311550)
KUBO Momoji Tohoku University, Graduate school of Engineering, Research Associate, 大学院・工学系研究科, 助手 (90241538)
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| Project Period (FY) |
1999 – 2000
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| Keywords | inorganic membrane / molecular simulation / zeolite membrane / silica membrane / gas separation / material design |
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| Research Abstract |
Several novel molecular simulation techniques were developed and investigated in this study. These simulation techniques, namely, a grand canonical ensemble molecular dynamics, a non-equilibrium Monte Carlo, a non-equilibrium meso-scale Monte Carlo and a combination method of molecular simulation techniques with the permeation theory, has been successfully demonstrated to reproduce the experimental observation on the zeolite and silica membranes. These developed methods can be expected to give the methodology possible of the material design of novel inorganic membranes from the atomistic scale.
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