Entropic Origin of Ionic Interactions in Polar Solvents.

ABSTRACT: Implicit solvent models that reduce solvent degrees of freedom into effective interaction potentials are widely used in the study of soft materials and biophysical systems. For electrolyte and polyelectrolyte solutions, coarse-graining the solvent degrees of freedom into an effective dielectric constant embeds entropic contributions into the temperature dependence of the dielectric constant. Properly accounting for this electrostatic entropy is essential to discern whether a free energy change is enthalpically or entropically driven. We address the entropic origin of electrostatic interactions in a dipolar solvent and provide a clarified physical picture of the solvent dielectric response. We calculate the potential of mean force (PMF) between two oppositely charged ions in a dipolar solve

SUBMITTER: Varner S 

PROVIDER: S-EPMC10201535 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature