PNNL

Abstract

We report the first exploration of fluorocarbon adsorption performances using defect-containing covalent–organic polymers (COPs). Exceptionally high fluorocarbon R134a equilibrium capacities and unique overall linear-shaped isotherms are attributed to the defective nature of the synthesized two-dimensional frameworks, namely COP-2 and COP-3. This contribution of additional capacity due to presence of large defects has been predicted and confirmed here by atomistic defective models built for both COPs. Analysis of R134a adsorption isotherms for varying defect-containing models with increasing free pore volumes shows direct correlation to higher fluorocarbon adsorption capacities. Combined with their high porosities, excellent reversibility, fast kinetics, and large operation window, these defective COPs are promising for adsorption-based cooling applications.