Determining ion activity coefficients in ion-exchange membranes with machine learning and molecular dynamics simulations
HK Gallage Dona, T Olayiwola… - Industrial & …, 2023 - ACS Publications
The activity coefficients of ions in polymeric ion-exchange membranes (IEMs) dictate the
equilibrium partitioning coefficient of the ions between the membrane and the liquid. It also …
equilibrium partitioning coefficient of the ions between the membrane and the liquid. It also …
Graph-Based Modeling and Molecular Dynamics for Ion Activity Coefficient Prediction in Polymeric Ion-Exchange Membranes
P Naghshnejad, G Theis Marchan… - Industrial & …, 2024 - ACS Publications
The partitioning of ions between polymeric ion-exchange membranes (IEMs) and the
surrounding liquid is governed by the activity coefficients of the ions, which, in turn …
surrounding liquid is governed by the activity coefficients of the ions, which, in turn …
Determining ion activity coefficients in ion-exchange membranes with machine learning and molecular dynamics
HKG Dona, T Olayiwola, LA Briceno-Mena, CG Arges… - 2023 - chemrxiv.org
The activity coefficients of ions in polymeric ion-exchange membranes (IEMs) dictates the
equilibrium partitioning coefficient of the ions between the membrane and the liquid. It also …
equilibrium partitioning coefficient of the ions between the membrane and the liquid. It also …
Computational Investigations of Polymer Electrolytes in Aqueous Solutions
HK Gallage Dona - 2023 - repository.lsu.edu
Polymer electrolyte membranes, an intriguing category of soft materials, are characterized
by polymer backbones tethered with negatively or positively charged functional groups …
by polymer backbones tethered with negatively or positively charged functional groups …