Chemical looping represents a class of novel processes that split conventionally homogeneous, sometimes catalytic reactions, into multiple steps, which are performed in multiple reactors. By doing so, the thermodynamic efficiency of the process can be significantly improved by (i) removing the need for product removal, (ii) precise control of the redox environment and (iii) separately activating reactants at preferential conditions.However, the design and engineering of economically viable, thermodynamically feasible, kinetically reactive and cyclically durable looping materials remains the most challenging task for the advancement of chemical looping technologies. In this seminar, the design considerations associated with the engineering of high performance oxygen carriers will be briefly discussed. We willintroduce some of the computational tools that can be used to aid the design of novel oxygen carriers.

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