SEMINAR LMGP - July 12, 2022 - Dr Grégory LEFEVRE

Dr Grégory LEFEVRE

Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris (IRCP), F-75005


 

Abstract

Numerous surface properties of materials at the solid/solution interface are governed by the reactivity of surface hydroxyls sites. After several decades of an approach based on the fitting of the properties of these sites with respect to experimental measurements, the development of the multisite complexation model (MuSiC) made possible to describe precisely these sites, and in particular their acidity, on the basis of structural data. In this talk, I will discuss the method to use this approach on simple metal oxides, as well as our developments to treat more complex solids (manganese/cobalt lamellar oxide and gamma alumina). Once implemented in the PhreeqC speciation software, these models have allowed us to predict isoelectric point of oxides, or have helped to refine the surface speciation of adsorbates.