Screened Coulombic Orientational Correlations in Dilute Aqueous Electrolytes

Luc Belloni (1) , Daniel Borgis (2, 3) , Maximilien Levesque (2)

1 LIONS - Laboratoire Interdisciplinaire sur l'Organisation Nanométrique et Supramoléculaire
2 PASTEUR - Processus d'Activation Sélective par Transfert d'Energie Uni-électronique ou Radiatif (UMR 8640)
3 MDLS - Maison de la Simulation

The ion-induced long-range orientational order between water molecules recently observed in second harmonic scattering experiments and illustrated with large scale molecular dynamics simulations is quantitatively explained using the Ornstein–Zernike integral equation approach of liquid physics. This general effect, not specific to hydrogen-bonding solvents, is controlled by electroneutrality conditions, dipolar interactions, and dielectric+ionic screening. As expected, all numerical theories recover the well-known analytical expressions established 40 years ago.

Domaines: Matériaux

Luc Belloni, Daniel Borgis, Maximilien Levesque. Screened Coulombic Orientational Correlations in Dilute Aqueous Electrolytes. Journal of Physical Chemistry Letters, 2018, 9 (8), pp.1985 - 1989. ⟨10.1021/acs.jpclett.8b00606⟩. ⟨cea-01779405⟩