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

A Cappai and D Loi and C Melis and L Colombo, ADVANCED THEORY AND SIMULATIONS, 8 (2025).

DOI: 10.1002/adts.202401371

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 lambda and a frictional term eta due to the electrostatic effects. The present theoretical device is finally validated using as benchmark a two- component Lennard-Jones liquid system, for which lambda and eta are estimated in different reduced temperature and density regions of phase diagram.

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