Bridging the Gap Between Materials and Engineering: Large‐Scale Screening of Metal–Organic Frameworks for Adsorption Cooling From Device Level

ABSTRACT Current screening of metal–organic frameworks (MOFs) for adsorption cooling through either experimental or computational approaches is only focused on their adsorption performance from the material level based on the ideal thermodynamic cycle. However, practically potential MOFs for adsorption cooling require not only super adsorption capacity from the material science level but also excellent heat and mass transport performance from the device level. Aiming to bridge the gap between materials and engineering, a multiscale evaluation strategy is developed to assess the adsorption cooling performance of MOFs by integrating their dynamic heat and mass transport performance at the device level. The high accuracy of the predicted coefficient of performance (COP) from the device level highlights the significance of such a multiscale approach. The identified MOF candidates with outstanding gas adsorption and heat transfer performance ensure high‐efficiency adsorption‐desorption cycles of the adsorption cooling system, fulfilling the high energy and power density requirements. This study bridges the gap between material science and engineering applications by developing a multiscale model that integrates both mass and thermal transport characteristics into the screening of MOFs for adsorption cooling. Such an innovative approach revolutionizes MOF evaluation methodologies through multidimensional criteria, advancing cross‐disciplinary MOF design paradigms.