Effect of ligand protonation on the facilitated ion transfer reactions across oil|water interfaces. I. Water autoprotolysis

In this paper, we present the general equations for a model of ion transfer reactions across the oil|water interface assisted by a neutral protonatable ligand. Our analysis is mainly focused on the effect of water autoprotolysis. uations reported in this paper allow us to simulate the system under all possible conditions. Three different models are compared: buffered solutions (BASA model), unbuffered solutions considering and not considering water autoprotolysis (UBASA and UBAS model, respectively).