Design of optimal microstructures for infiltrated solid oxide fuel cell (SOFC) electrodes is a complicated process because of the multitude of the electrochemical and physical phenomena taking place in the electrodes in different temperatures, current densities and reactant flow rates. In this study, a stochastic geometric modeling method is used to create a range of digitally realized infi...

Abstract Conjugated polyelectrolytes (CPEs), comprised of conjugated backbones and pendant ionic functionalities, are versatile organic materials with diverse applications. However, the myriad possible molecular structures CPEs render traditional, trial-and-error discovery strategy impractical. Here, we tackle this problem using a data-centric approach by incorporating machine learning high-thr...

The conductance of ion channels can be modulated by a transmembrane potential difference, due to alterations on ion-mobility and also by changes in the pore structure. Despite the vast knowledge regarding the influence of voltage on transport properties of ion channels, little attention has been paid to describe, with atomic detail, the modulation of ionic transport in gap-junction channels (GJ...

Pharmaceutical and personal care products (PPCPs) enter soils through reclaimed water irrigation and biosolid land applications. Colloids, such as clays, that are present in soil may interact with PPCPs and thus affect their fate and transport in the subsurface environment. This study addresses the influence of soil colloids on the sorption and transport behaviors of PPCPs through laboratory co...

To improve the energy density of lithium-ion batteries, development advanced electrolytes with enhanced transport properties is highly important. Here, we show that by confining conventional electrolyte (1 M LiPF6 in EC-DEC) a microporous polymer network, cation transference number increases to 0.79 while maintaining an ionic conductivity on order 10−3 S cm−1. By comparison, non-porous, condens...

This paper presents a numerical study on the mechanism of chloride migration in concrete. Unlike most of existing work, this study utilises multicomponent ionic transport models to reflect the influence of ionic interactions by coupling both mass conservation and Poisson’s equations. A series of 2-D, 3-phase models with different shapes and volume fractions of aggregates are developed to simula...