Theoretical Models for Predicting Catalytic Efficiencies

Abstract

The prediction of efficiency is a challenge task. With the advent of computational modelling, reliable calculations can explain a quantitaitve aspect of the study. To acknowledge the efficiency of a catalyst in thethesis, we formulated two models viz the efficiency conceptualization model (ECM) and the maximum kinetic efficiency (MazKinEff) model for predictin the efficiencies of catalysts.