2022/03/31 by Zsófia Sarkadi, Dávid Fertig, Sarkadi, Zsófia +5
Chemistry · Engineering · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Electrostatics and Colloid Interactions #FOS: Physical sciences #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Nanopore and Nanochannel Transport Studies #Soft Condensed Matter (cond-mat.soft) #Statistical Mechanics (cond-mat.stat-mech) #Surface and Thin Film Phenomena
paper · pdf · doi:10.48550/arxiv.2203.16831
openalex publication_date 2022/03/31 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Scaling of the behavior of a nanodevice means that the device function (selectivity, in this work) is a unique function of a scaling parameter that is an appropriate combination of the device parameters. Although nanopores facilitate the transport of ions through a membrane of finite length if the pore is long compared to the pore radius, we deal with an important limiting case, the infinitely long nanopore (nanotube). While in our previous study (Sarkadi et al., J. Chem. Phys. 154 (2021) 154704.) we showed that the Dukhin number is an appropriate scaling parameter in the nanotube limit for 1:1 electrolytes, in this work we obtain the Dukhin number from first principles on the basis of the Poisson-Boltzmann (PB) theory and generalize it to electrolytes containing multivalent ions as well. We show that grand canonical Monte Carlo simulations for charged hard spheres in an implicit solvent give results that are similar to those obtained from the PB theory with deviations that are the consequences of ionic correlations (including finite size of ions) beyond the mean-field level of the PB theory. Such a deviation occurs when charge inversion is present, in 2:2 and 3:1 electrolytes, for example.