Rapid adsorption enthalpy surface sampling (RAESS) to characterize nanoporous materials
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DOI: 10.1039/d2sc05810c
Abstract: Molecular adsorption in nanoporous materials has many large-scale industrial applications ranging from separation to storage. To design the best materials, computational simulations are key to guiding the experimentation and engineering processes. Because nanoporous materials exist… read more here.
Keywords: adsorption; nanoporous materials; adsorption enthalpy; surface sampling ... See more keywords