Rational control over aluminum sites in zeolite frameworks by a combined theoretical and experimental approach
| Project/Area Number |
26889022
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| Research Category |
Grant-in-Aid for Research Activity Start-up
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| Allocation Type | Single-year Grants |
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| Research Field |
Reaction engineering/Process system
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| Research Institution | The University of Tokyo |
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Principal Investigator |
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| Project Period (FY) |
2014-08-29 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2015: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2014: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
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| Keywords | ゼオライト / 多孔質材料 / ナノ空間 / 骨格構造 / 有機構造規定剤 / ナノ空間材料 / 骨格エネルギー |
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| Outline of Final Research Achievements |
The physicochemical properties of zeolites are mainly determined by framework structure, chemical composition, and position of tetrahedral atoms. In this research, more than 40,000 zeolite structures with different topologies, Si/Al ratios Al locations were constructed and evaluated. The results revealed that for a particular framework structure there exist the energetically favorable chemical compositions and atomic positions, which is consistent with the experimental results.
In zeolite syntheses, organic structure-directing agents (OSDAs) have been used. In this work, the design of such OSDAs was focused. As a first step toward designed synthesis of inorganic porous materials by the aids of computations, nanoporous silicas with high surface area and unique pore diameters of 1.3－2 nm were synthesized. The resulting materials possessed the pore diameters identical to the designed values and their surface areas were among the highest values reported for nanoporous silicas.
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Report
(3 results)
Research Products
(5 results)
