Work

A Theoretical Investigation on Coupled Mass‐charge Transport in a Binary Fluid

Year: 2025

Type: article

Abstract: A general theoretical framework is presented to address the coupled charge‐mass transport regime in a non reactive, equimolar and binary mixture in the fluid phase. It is proved that, by starting from a microscopic definition of charge and mass currents, conservation laws dictate the form of the differential equations governing the time evolution of the temperature and mass density profiles along the transport direction. Furthermore, it is showed that the entire dynamics can be understood in terms of a generalized diffusivity and a frictional term due to the electrostatic effects. The present theoretical device is finally validated using as benchmark a two‐component Lennard–Jones liquid system, for which and are estimated in different reduced temperature and density regions of phase diagram.

Source: Advanced Theory and Simulations

DOI: 10.1002/adts.202401371

Authors: Antonio Cappai, Daniele Loi, Claudio Melis, Luciano Colombo

Institution: University of Cagliari

Language: English

Topic: Diffusion Coefficients in Liquids

Subfield: Spectroscopy

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,430

Funder: Ministero dell’Istruzione, dell’Università e della Ricerca