Predicting micropollutant removal through nanopore-sized membranes using several machine-learning approaches based on feature engineering.

Predicting the efficacy of micropollutant separation through functionalized membranes is an arduous endeavor. The challenge stems from the complex interactions between the physicochemical properties of the micropollutants and the basic principles underlying membrane filtration. This study aimed to compare the effectiveness of a modest dataset on various machine learning tools (ML) tools in predicting micropollutant removal efficiency for functionalized reverse osmosis (RO) and nanofiltration (NF) membranes.

Enhancing Li recovery in brine mining: integrating next-gen emotional AI and explainable ML to predict adsorption energy in crown ether-based hierarchical nanomaterials.

Artificial intelligence (AI) is being employed in brine mining to enhance the extraction of lithium, vital for the manufacturing of lithium-ion batteries, through improved recovery efficiencies and the reduction of energy consumption. An innovative approach was proposed combining Emotional Neural Networks (ENN) and Random Forest (RF) algorithms to elucidate the adsorption energy (AE) (kcal mol) of Li ions by utilizing crown ether (CE)-incorporated honeycomb 2D nanomaterials. The screening and feature engineering analysis of honeycomb-patterned 2D materials and individual CE were conducted through Density Functional Theory (DFT) and Gaussian 16 simulations.