Metal-organic frameworks (MOFs) are a promising class of materials that offer immense potential for CO₂ capture due to their high porosity, tunable chemistry and selective adsorption properties. Yet, identifying MOFs suitable for deployment at scale requires a rigorous understanding of how intrinsic material properties impact full-system performance and cost.
In this study, we conduct a comparative techno-economic screening of MOFs by coupling key material attributes – such as CO2 isotherms, thermal stability, and regeneration energy and rate – with a flexible CO2 capture process model. This approach enables rapid evaluation energy requirements, productivity, and estimated capture cost per ton of CO2 across a diverse set of MOFs based on experimental data from literature. Our analysis reveals how specific MOFs shape the relationship between capture efficiency and overall process efficiency, highlighting material-process interactions that most strongly influence DAC system performance, allowing smart materials selection and system design.
