Self-Consistent Description of Vapor-Liquid Interface in Ionic Fluids

Nikhil R. Agrawal and Rui Wang
Phys. Rev. Lett. 129, 228001 – Published 21 November 2022
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Abstract

Inhomogeneity of ion correlation widely exists in many physicochemical, soft matter, and biological systems. Here, we apply the modified Gaussian renormalized fluctuation theory to study the classic example of the vapor-liquid interface of ionic fluids. The ion correlation is decomposed into a short-range contribution associated with the local electrostatic environment and a long-range contribution accounting for the spatially varying ionic strength and dielectric permittivity. For symmetric salt, both the coexistence curve and the interfacial tension predicted by our theory are in quantitative agreement with simulation data reported in the literature. Furthermore, we provide the first theoretical prediction of interfacial structure for asymmetric salt, highlighting the importance of capturing local charge separation.

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  • Received 4 June 2022
  • Accepted 3 November 2022

DOI:https://doi.org/10.1103/PhysRevLett.129.228001

© 2022 American Physical Society

Physics Subject Headings (PhySH)

Statistical Physics & ThermodynamicsPolymers & Soft Matter

Authors & Affiliations

Nikhil R. Agrawal1 and Rui Wang1,2,*

  • 1Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, USA
  • 2Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

  • *ruiwang325@berkeley.edu

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Issue

Vol. 129, Iss. 22 — 23 November 2022

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