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• W2281250053 endingPage "123601" @default.
• W2281250053 startingPage "123601" @default.
• W2281250053 abstract "We formulate a theoretical method for studying the solvent particle dynamics around a moving solute, using time-dependent density functional theory. The theoretical method is applied to the insertion process of a large sphere into a cylindrical vessel immersed in solvent particles. For various velocities of the large sphere, we calculate the nonequilibrium spatial distribution of number density of solvent particles. We find a nonequilibrium effect on the distribution, which is characterized by the total number of solvent particles inside of the vessel. The number is 32.5% larger for a velocity of DS/2dS than for the equilibrium state, where, dS and DS are the diameter and diffusion coefficient of a solvent particle, respectively." @default.
• W2281250053 created "2016-06-24" @default.
• W2281250053 creator A5009170654 @default.
• W2281250053 creator A5018325109 @default.
• W2281250053 date "2015-12-15" @default.
• W2281250053 modified "2023-09-23" @default.
• W2281250053 title "Theoretical Method of Calculating Solvent Nonequilibrium Effect on Solute Movement" @default.
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• W2281250053 doi "https://doi.org/10.7566/jpsj.84.123601" @default.
• W2281250053 hasPublicationYear "2015" @default.
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