Bulletin of the American Physical Society
2018 Annual Meeting of the APS Mid-Atlantic Section
Volume 63, Number 20
Friday–Sunday, November 9–11, 2018; College Park, Maryland
Session F02: Chemical Physics II
1:30 PM–3:06 PM,
Saturday, November 10, 2018
Edward St. John
Room: 1215
Chair: Amy Mullin, University of Maryland, College Park
Abstract ID: BAPS.2018.MAS.F02.3
Abstract: F02.00003 : Dielectric Relaxation of Gaussian-smoothed Solutes
2:18 PM–2:30 PM
Presenter:
Renjie Zhao
(Institute for Physical Science and Technology, Chemical Physics Program, University of Maryland, College Park, MD 20742, USA)
Authors:
Renjie Zhao
(Institute for Physical Science and Technology, Chemical Physics Program, University of Maryland, College Park, MD 20742, USA)
John D Weeks
(Institute for Physical Science and Technology, Department of Chemistry and Biochemistry, University of Maryland, College Park, MD 20742, USA)
The dielectric solvation dynamics of charged solutes is investigated for models with slowly-varying continuous charge densities. We describe the dielectric effects of Gaussian-smoothed ionic and dipolar solutes by assuming a linear response induced in the solvent. Empirical dielectric functions, such as Debye relaxation function, are employed to derive the relaxation time of the considered models. We suggest a mathematical framework incorporating both Gaussian-smoothed and classic models to predict the dielectric and relaxation behavior of dipoles.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2018.MAS.F02.3
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