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Kinetic compensation effect due to the variation in the concentration of an additive

POSTER

Abstract

As part of a systematic study on the kinetic compensation effect, we use kinetic Monte Carlo simulations to study the effects of the change in the concentration of a chemical species in the Arrhenius parameters - effective activation energy , and preexponential factor ν - during thermal desorption of binary mixtured of interacting and non interacting adsorbates from two dimensional ordered and disordered surfaces. A chemical additive, such as a catalyst, can have an effect in the overall rate at which a process occurs. In this study we quantify the transient variations in the Arrhenius parameters when the concentration of one of the chemical species, which is treated as an additive, is varied. The purpose is to observe if a compensation effect and/or isokinetic relation occur when this ’experimental parameter’ is altered. We expect our results to help advance the understanding of the microscopic origins of compensation effects in our system of study but also in other fields where these effects have been reported.

Presenters

  • Nayeli Zuniga-Hansen

    Louisiana State University

Authors

  • Nayeli Zuniga-Hansen

    Louisiana State University

  • Leo Silbert

    Central New Mexico Community College

  • Mercedes Calbi

    University of Denver