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Lukáš Grajciar, Prof. Jiří Čejka, Dr. Arnošt Zukal, Prof. Carlos Otero Areán, Gemma Turnes Palomino and Prof. Petr Nachtigall Controlling the Adsorption Enthalpy of CO2 in Zeolites by Framework Topology and Composition ChemSusChem 5

Article first published online: 10 AUG 2012 | DOI: 10.1002/cssc.201200270

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Adsorb or not adsorb? The role of different factors that determine the gas–solid interaction energy, such as zeolite topology and zeolite chemical composition, is analyzed based on a combination of accurate ab initio descriptions of CO2 interactions with zeolites and experimental investigations of adsorption heats (see scheme).

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