2017 Fiscal Year Final Research Report
Theory of Structure and Functions of Liquid and Polymer Interfaces
| Project Area | Science on Function of Soft Molecular Systems by Cooperation of Theory and Experiment |
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| Project/Area Number |
25104003
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| Research Category |
Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | Tohoku University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
石山 達也 富山大学, 大学院理工学研究部(工学), 准教授 (10421364)
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| Co-Investigator(Renkei-kenkyūsha) |
TAKAHASHI Hideaki 東北大学, 理学研究科, 准教授 (10291436)
JOUTSUKA Tatsuya 東北大学, 理学研究科, 研究支援者 (70823003)
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| Project Period (FY) |
2013-06-28 – 2018-03-31
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| Keywords | 界面 / 分子シミュレーション |
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| Outline of Final Research Achievements |
We have advanced the theory and computational analysis of interfaces in collaboration with experimental groups. The achivement in this project includes many subjects, including the theoretical analysis of 2-D SFG spectroscopy, efficient computationaly analysis of difference spectra, calculation of chi3 effect in SFG/SHG spectroscopy, reliable assignment of SFG spectra of ice surface, modeling of alkyl C-H vibrations. We also elucidated the hidden barrier in the ion transport through liquid-liquid interfaces, which accounts for retarded kinetics of ion transport.
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| Free Research Field |
理論化学
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