Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture (opens in new tab)

Molecular diffusion is a fundamental property that limits the performance of solid sorbents in carbon dioxide capture and separation applications. Unique to each sorbent, gas diffusion is determined by the physical and chemical interactions that occur between the gas molecules and a sorbent’s surface atoms. At the process level where carbon dioxide capture performance is validated, however, simulations are typically carried out using generalized parameters that omit the structure-specific, mo...