2013 Fiscal Year Final Research Report
Investigation of solution structure of aqueous alcohol at high temperatures and high pressures by compton scattering.
Project/Area Number |
24850002
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Research Category |
Grant-in-Aid for Research Activity Start-up
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Allocation Type | Single-year Grants |
Research Field |
Physical chemistry
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Research Institution | Tohoku University |
Principal Investigator |
ONO Takumi 東北大学, 工学(系)研究科(研究院), 教育研究支援者 (20637243)
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Project Period (FY) |
2012-08-31 – 2014-03-31
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Keywords | コンプトン散乱 / 高温高圧アルコール水溶液 / 分子シミュレーション / 水素結合 |
Research Abstract |
Water-alcohol mixtures exhibit interesting non-ideal macroscopic properties and it is found that these results might come from microscopic irregular structures. To investigate microscopic irregular molecular agglomerate, comparison between experimented Compton scattering of solutions by x-ray radiation and theoretical calculations (MD and quantum chemistry) is quite meaningful. In this work, we developed a stainless steel cell equipped with beryllium windows to ensure measurement of Compton scattering at high temperatures and pressures with keeping certain level of signal intensities, and measured Compton scattering of water-alcohol mixtures at 350 ºC and 20 MPa. The experiments are combined with calculations based on MD simulation and quantum chemistry. The experimental and theoretical results suggest a transition of solution structure in the region of low methanol composition at 350 ºC and 20 MPa.
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Research Products
(4 results)
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[Presentation] X-ray Compton Scattering Measurement of High Temperature and High Pressure Water2014
Author(s)
T. Ono, M. Ota, Y. Sato, M. Watanabe, H. Inomata, A. Hakotani, H. Seta, K. Nakahara, M. Itou, Y. Sakurai
Organizer
14th European Meeting on Supercritical Fluids
Place of Presentation
Marseille, France
Year and Date
2014-05-20
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