Abstract
This study introduces Dual Function Materials (DFM) technology within the context of direct air capture (DAC) and incorporates it into a superstructure optimisation framework for optimal flowsheet development. A comparative assessment against an established DAC process, temperature vacuum swing adsorption (TVSA), underscores the potential operational and economic advantages of DFMs. The application of superstructure optimisation reveals critical determinants, including the reactor geometry, mass and heat transfer parameters, and the equilibrium CO2 capacity of the sorbent-catalyst, as crucial for evaluating the feasibility of DFMs in relation to TVSA. Apart from hydrogen production, the operational cost is significantly impacted by the pressure drop in the adsorption section, with reactor/contactor size and quantity primarily constrained by pressure drop rather than adsorption rates.