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2017 Fiscal Year Final Research Report

Theory of Structure and Functions of Liquid and Polymer Interfaces

Planned Research

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Project AreaScience on Function of Soft Molecular Systems by Cooperation of Theory and Experiment
Project/Area Number 25104003
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionTohoku University

Principal Investigator

Morita Akihiro  東北大学, 理学研究科, 教授 (70252418)

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)
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)
Project Period (FY) 2013-06-28 – 2018-03-31
Keywords界面 / 分子シミュレーション
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.

Free Research Field

理論化学

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Published: 2019-03-29  

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