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2021 Fiscal Year Final Research Report

Development of viscosity estimation method based on Eyring's theory considering mesoscopic solution structure

Research Project

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Project/Area Number 18K14040
Research Category

Grant-in-Aid for Early-Career Scientists

Allocation TypeMulti-year Fund
Review Section Basic Section 27010:Transport phenomena and unit operations-related
Research InstitutionNational Institute of Advanced Industrial Science and Technology

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)

Project Period (FY) 2018-04-01 – 2022-03-31
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
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.

Free Research Field

化学工学、溶液化学

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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Published: 2023-01-30  

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