2013 Fiscal Year Final Research Report
Gas Storage Materials by Ice at Ordinary Temperatures and Pressures
| Project/Area Number |
24656575
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Single-year Grants |
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| Research Field |
Energy engineering
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| Research Institution | Tohoku University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
BELOSLUDOV Rodion 東北大学, 金属材料研究所, 准教授 (10396517)
SAHARA Ryoji 東北大学, 金属材料研究所, 准教授 (30323075)
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| Project Period (FY) |
2012-04-01 – 2014-03-31
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| Keywords | クラスレートハイドレート / ガスハイドレート / ガス貯蔵材料 / 第一原理計算 / コンピューターシミュレーション / 材料設計 / エネルギー貯蔵 / 相図作成 |
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| Research Abstract |
The thermodynamic conditions for the formation and stability of clathrate hydrates with complex guest compositions have been determined, with a special emphasis on the possibility of hydrates used as agents for storage of various gases. Over a wide pressure-temperature range, we performed atomistic-level theoretical modeling of structural, dynamical, and thermodynamic properties of various ices and hydrates with differing structures, using our original approach. The influence of the guest molecules on the host lattice of hydrates of differing structure have been examined, with the aim of estimating gas content in the hydrate phase, targeting high contents. The possibility of maintaining self-preservation effects for gas clathrate hydrates has been also investigated.
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