| 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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| Project Status |
Completed (Fiscal Year 2001)
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| Budget Amount *help |
¥13,900,000 (Direct Cost: ¥13,900,000)
Fiscal Year 2000: ¥4,100,000 (Direct Cost: ¥4,100,000)
Fiscal Year 1999: ¥9,800,000 (Direct Cost: ¥9,800,000)
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| Keywords | inorganic membrane / molecular simulation / zeolite membrane / silica membrane / gas separation / material design / 分離膜 / 透過理論 / 分子動力学法 / モンテカルロ法 / 透過係数 |
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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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