Effects of molecular siting and adsorbent heterogeneity on the ideality of adsorption equilibria

The ideal adsorbed solution (IAS) theory is the benchmark for the prediction of mixed-gas adsorption equilibria from pure-component isotherms. In this work, we use atomistic grand canonical Monte Carlo simulations to test the effects of molecular siting and adsorbent energetic heterogeneity on the a...

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Publié dans:Langmuir : the ACS journal of surfaces and colloids. - 1991. - 20(2004), 6 vom: 16. März, Seite 2489-97
Auteur principal: Murthi, Manohar (Auteur)
Autres auteurs: Snurr, Randall Q
Format: Article
Langue:English
Publié: 2004
Accès à la collection:Langmuir : the ACS journal of surfaces and colloids
Sujets:Journal Article