Selectivity, Sensitivity and Detection Range in Ion-Selective Membrane-based Electrochemical Potentiometric Sensors analyzed with Poisson-Boltzmann equilibrium model

We present and validate an equilibrium model based on the Poisson-Boltzmann equations that includes the main ingredients to simulate ion-sensitive membranes in the context of electrochemical potentiometric sensors with and without ionophores. With respect to phase boundary models, our model includes spatial resolution of the electrostatic potential and concentrations. The model enables the study of Nernstian and non-Nernstian equilibrium responses, helps improving the detection range and investigating selectivity and cross-sensitivity issues related to interferent ions in the sample solution. Therefore, the model is a useful support for the design of potentiometric microelectronic sensors and helps optimizing relevant membrane features such as ionic sites and ionophore concentration for best sensitivity and selectivity.