Analysis of quantum dynamics of proton in solid oxide electrolyte membrane based on stochastic method
| Project/Area Number |
16K18032
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Thermal engineering
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| Research Institution | University of the Ryukyus |
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Principal Investigator |
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| Project Period (FY) |
2016-04-01 – 2019-03-31
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| Project Status |
Completed (Fiscal Year 2018)
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| Budget Amount *help |
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2018: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2017: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2016: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
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| Keywords | プロトン伝導 / 量子効果 / 固体酸化物 / 固体電解質膜 / エネルギー障壁 / 熱工学 / 分子熱流体工学 |
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| Outline of Final Research Achievements |
In this study, I analyzed quantum effects of the proton on its conduction in solid oxide electrolyte membrane based on the transition sate theory. Firstly, the conduction paths of the proton were determined by the Nudged Elastic Band method, and the quantum effect of the proton was reproduced by the path integral method. Then, the transition rate of proton was estimated by the height of the potential barrier along the conduction paths, and the diffusion coefficient of the proton was calculated by using the estimated transition rate. As a result, I found that the diffusion coefficient of the proton with the quantum effect is consistent with that of the classical case. I clarified that the quantum effect of the proton on each conduction path cancel each other out and because of the offsetting, the diffusion coefficient with quantum effect is consistent with that of classical case.
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| Academic Significance and Societal Importance of the Research Achievements |
固体電解質膜のプロトン伝導に対する量子効果の影響は長年議論されてきたが、本研究によりプロトン伝導に対する量子効果の影響を定性的かつ定量的に明らかにした学術的意義は大きい。またプロトン伝導SOFC内のプロトン伝導に対する量子効果の影響は大きいことがわかったが、膜のマクロな物性のプロトンの拡散係数には量子効果の影響が現れないということが本研究により示されたため、従来の古典的な手法により膜の性能を評価すること可能ということが明らかとなった。これより、簡単かつ精度良く膜の性能ができ、より性能の良い電解質膜の開発につながることが期待できる。
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Report
(4 results)
Research Products
(15 results)
