| Project/Area Number |
18K14040
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| Research Category |
Grant-in-Aid for Early-Career Scientists
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| Allocation Type | Multi-year Fund |
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| Review Section |
Basic Section 27010:Transport phenomena and unit operations-related
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| Research Institution | National Institute of Advanced Industrial Science and Technology |
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Principal Investigator |
Ono Takumi 国立研究開発法人産業技術総合研究所, 材料・化学領域, 研究員 (20637243)
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| Project Period (FY) |
2018-04-01 – 2022-03-31
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| Project Status |
Completed (Fiscal Year 2021)
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| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2019: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2018: ¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
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| Keywords | アルコール水溶液 / 密度 / 粘度 / 分子シミュレーション / 水素結合 / CPA状態式 / Eyring理論 / 高温高圧 / Kirkwood-Buff積分 |
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| Outline of Final Research Achievements |
In order to develop new solvents that can control physical properties and to elucidate the influence of molecular structure on aqueous solution properties, the densities and viscosities of aqueous dihydric alcohol solutions at high temperatures and pressures up to 473.2 K and 40 MPa were measured. Combined with previous data of aqueous monohydric alcohol solutions, the effects of molecular structure on solution properties at high temperatures and pressures were evaluated by using excess properties and molecular simulations. Moreover, correlation model was developed by combining the Cubic-Plus-Association (CPA) equation of state and Eyring theory. The model was clarified that the behavior of density and viscosity could be well correlated and estimated from ambient condition to high temperatures and high pressures.
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| Academic Significance and Societal Importance of the Research Achievements |
373 K以上における、2価アルコール水溶液の密度・粘度データを世界で初めて報告するとともに、1価アルコール水溶液との比較から、ヒドロキシ基の数の違いが低アルコール組成での物性挙動に大きな影響を与えることを明らかにした。また、これまでEyring理論に含まれるパラメータの高温での適用性については評価されていなかったが、臨界温度を利用することで、高温条件まで拡張できる可能性が示された。
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