New methods for oxygen carrier development

Research Project, 2019 – 2020

The aim of this research proposal is to develop a new framework for finding promising oxygen carrier candidates that can be used in Chemical-Looping techniques. In short, first-principles atomistic modelling and machine-learning algorithms will be used to (i) find promising oxides, (ii) determine their stable phases, and finally (iii) calculate oxygen transfer rates. Experimentally, different reactor units (fluidized and fixed bed) will be used to evaluate the different candidates and their properties under operando conditions, and provide further guidance to the computational method. If successful, the suggested framework will find a new generation of oxygen carriers (beyond the common mono- and binary oxides frequently used) with designed properties, which will make Chemical-Looping techniques even more promising.