Similarities and differences between potassium and ammonium ions in liquid water: a first-principles study
Fikret Aydin, Cheng Zhan, Cody L. Ritt, Razi Epsztein, Menachem Elimelech, Eric Schwegler, Tuan Anh Pham
Abstract
yields a smaller number of water molecules and a more ordered water structure in the first solvation shell due to the formation of hydrogen bonds between the ion and water molecules. Finally, our simulations indicate that a comparable solvation strength of the two ions is a result of an interplay between the nature of ion-water interaction and number of water molecules that can be accommodated in the ion solvation shell.
Topics & Concepts
PotassiumAmmoniumIonLiquid waterChemistryInorganic chemistryPhysicsOrganic chemistryThermodynamicsSpectroscopy and Quantum Chemical StudiesElectrochemical Analysis and ApplicationsMembrane-based Ion Separation Techniques