Electrohydrodynamic Stresses from Hydrogen-Bond Network Dynamics in Water

TL;DR

This paper develops a continuum theory linking hydrogen-bond network dynamics in water to electrohydrodynamic stresses, providing a microscopic understanding of how molecular interactions influence macroscopic flow behavior.

Contribution

It introduces a novel lattice-gas and hydrodynamic framework that integrates molecular data into a unified electrohydrodynamic model for water.

Findings

Quantitatively reproduces viscoelectric coefficient measurements.

Identifies microscopic mechanisms of hydrogen-bond influence on electrohydrodynamics.

Connects molecular dynamics to continuum electrohydrodynamic theory.

Abstract

The resistance of hydrogen-bond networks to ambient flow in water produces viscoelectric stresses and contributes to electrostrictive pressure. Within Onsager's nonequilibrium thermodynamic framework, a lattice-gas description of aqueous electrolytes is combined with a coarse-grained hydrodynamic representation of hydrogen-bonded molecular networks, where viscous dissipation is modeled through energetically equivalent Brownian entities. This formulation connects molecular structural information from experiments and molecular dynamics to a unified dipolar Poisson-Nernst-Planck-Stokes (dPNP-S) continuum theory, quantitatively reproducing the measured viscoelectric coefficient of Jin et al. (PNAS 2022) and contributions to electrostrictive pressure. These results identify a microscopic mechanism by which hydrogen-bond dynamics influence electrohydrodynamic flow.