2017 Fiscal Year Final Research Report
Deepening transition state concept and control of reaction kinetics from a few body systems to complex reaction networks
| Project/Area Number |
15KT0055
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Multi-year Fund |
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| Section | 特設分野 |
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| Research Field |
Transition State Control
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| Research Institution | Hokkaido University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
寺本 央 北海道大学, 電子科学研究所, 助教 (90463728)
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| Project Period (FY) |
2015-07-10 – 2018-03-31
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| Keywords | 遷移状態 / 相空間幾何学 / 反応ネットワーク / データ駆動型数理科学 |
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| Outline of Final Research Achievements |
We uncovered a novel phenomenon which switches a path of reactions from a coordinate that used to describe the progress of reactions to another one that used not to do along with the total energy of the system increases by using the concept of Chaos theory called breakdown of normally hyperbolic invariant manifold. Due to this progress, we also successfully proposed how to verify this new phenomenon experimentally by taking dissociation reaction of an electron from a hydrogen-atom as an example which was under crossed homogeneous electric and magnetic fields. In addition, we newly proposed a global transition state over many underlying basins/states that governs the complex kinetics over reaction networks. This is defined as the slowest dividing surface over the network among all possible dividing surfaces and can extract complex hierarchical structure of reaction timescales.
We proposed a new guideline for reaction controls applicable for both theoretically and experimentally.
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| Free Research Field |
化学物理・生物物理
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