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• W1990477377 abstract "A mode-coupling treatment of polar solvation dynamics in supercritical fluids is presented. The equilibrium solvation time correlation function for the solute fluctuating transition frequency is obtained from the mode-coupling theory method and from molecular-dynamics simulations. The theory is shown to be in good agreement with the simulation. The solvation time correlation function exhibits three distinct time scales, with rapid initial decay, followed by a recurrence at intermediate times, and a slowly decaying long-time tail. Our theoretical analysis shows that the short-time decay arises from the coupling of the solute energy gap to the solvent polarization modes, the recurrence at intermediate times is due to the energy modes, while the slow long-time decay reflects the coupling to the number density modes." @default.
• W1990477377 created "2016-06-24" @default.
• W1990477377 creator A5031886881 @default.
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• W1990477377 date "2004-11-30" @default.
• W1990477377 modified "2023-09-23" @default.
• W1990477377 title "Polar solvation dynamics in supercritical fluids: A mode-coupling treatment" @default.
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• W1990477377 doi "https://doi.org/10.1063/1.1813432" @default.
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