Power-to-Chemicals: A Superstructure Problem for Sustainable Syngas Production

A novel benchmark superstructure is defined for the production of syngas from renewable energy, \(\mathrm {H_2}\), \(\mathrm {CO_2}\) and biogas. Fixed bed reactors (FBR) for the dry reforming (DR) or the reverse water gas shift (RWGS) are used to convert the reactants into raw syngas, which is then purified in a sequence of pressure and/or temperature swing adsorption (PSA/TSA) steps. We discuss the simulation of the resulting model equations. The complexity of the dynamic process model is tackled by model order reduction and parallel-in-time integration using parareal in order to allow a faster model evaluation in particular for the multi-query context arising in a design optimization process. Future challenges regarding mixed-integer optimization and more complex model dynamics are discussed.