Determining Ion Activity Coefficients in Ion-Exchange Membranes with Machine Learning and Molecular Dynamics Simulations

Published in Industrial \& Engineering Chemistry Research, 2023

Recommended citation: Gallage Dona, H. K., Olayiwola, T., Briceno-Mena, L. A., Arges, C. G., Kumar, R., & Romagnoli, J. A. (2023). Determining Ion Activity Coefficients in Ion-Exchange Membranes with Machine Learning and Molecular Dynamics Simulations. Industrial & Engineering Chemistry Research, 62(24), 9533-9548. https://doi.org/10.1021/acs.iecr.3c00636