Two contributions to the dielectric response of polar liquids

2021 ◽  
Vol 154 (11) ◽  
pp. 116101
Author(s):  
Alexey A. Gavrilov ◽  
Elena Yu. Kramarenko
Keyword(s):  
Dielectric Response ◽  
Polar Liquids

Frequency-Dependent Dielectric Response in Polar Liquids

1981 ◽  
Vol 46 (14) ◽  
pp. 950-953 ◽  
Author(s):  
E. L. Pollock ◽  
B. J. Alder
Keyword(s):  
Dielectric Response ◽  
Frequency Dependent ◽  
Polar Liquids

Dielectric response of polar liquids in narrow slit pores

2007 ◽  
Vol 126 (11) ◽  
pp. 114703 ◽  
Author(s):  
Vladimir A. Froltsov ◽  
Sabine H. L. Klapp
Keyword(s):  
Dielectric Response ◽  
Narrow Slit ◽  
Polar Liquids ◽  
Slit Pores

scholarly journals Dielectric response with short-ranged electrostatics

2020 ◽  
Vol 117 (33) ◽  
pp. 19746-19752
Author(s):  
Stephen J. Cox
Keyword(s):  
Dielectric Response ◽  
Electrostatic Interactions ◽  
Mean Field ◽  
Periodic Boundary Conditions ◽  
Liquid Structure ◽  
Water Model ◽  
Dipolar Interactions ◽  
Polar Liquids ◽  
Ability To Act ◽  
Local Molecular Field Theory

The dielectric nature of polar liquids underpins much of their ability to act as useful solvents, but its description is complicated by the long-ranged nature of dipolar interactions. This is particularly pronounced under the periodic boundary conditions commonly used in molecular simulations. In this article, the dielectric properties of a water model whose intermolecular electrostatic interactions are entirely short-ranged are investigated. This is done within the framework of local molecular-field theory (LMFT), which provides a well-controlled mean-field treatment of long-ranged electrostatics. This short-ranged model gives a remarkably good performance on a number of counts, and its apparent shortcomings are readily accounted for. These results not only lend support to LMFT as an approach for understanding solvation behavior, but also are relevant to those developing interaction potentials based on local descriptions of liquid structure.

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