In this section, we inquire whether the ranking of porous materials and the identification of top performers through process modelling depends on the use of a specific FF. For this, we must first generate a material ranking list for each molecular FF using some process-level performance metric. The energy-productivity Pareto front, subject to the CCS constraints, is often used to rank materials in multiscale HTCS studies. However, the CCS constraints are not satisfied by every CRAFTED-u MOF across all FFs, and so it is not possible to evaluate every material behaviour using energy-productivity KPIs. We therefore ranked materials according to the maximum CO2 purity they can achieve in the modified Skarstrom cycle (Figure ), subject to the constraint of CO2 recovery ≥ 0.9, using the HTCS workflow shown in Figure .