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Comparative study of separation performance of COFs and MOFs for CH4/CO2/H2 mixtures / Yunhua Liu in Industrial & engineering chemistry research, Vol. 49 N° 6 (Mars 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 6 (Mars 2010) . - pp. 2902–2906 Titre : Comparative study of separation performance of COFs and MOFs for CH4/CO2/H2 mixtures Type de document : texte imprimé Auteurs : Yunhua Liu, Auteur ; Dahuan Liu, Auteur ; Qingyuan Yang, Auteur Année de publication : 2010 Article en page(s) : pp. 2902–2906 Note générale : Industrial Chemistry Langues : Anglais (eng) Mots-clés : COFs--MOFs--CH4/CO2/H2--Comparative--  Mixtures Résumé : In this work, grand canonical Monte Carlo (GCMC) simulations were performed to evaluate the separation performance of covalent organic frameworks (COFs) compared with that of metal−organic frameworks (MOFs) for CH4/CO2/H2 mixtures. The simulation results show that the adsorption selectivities of COFs and MOFs are similar. The electrostatic contribution of framework charges in COFs should be taken into account, although it is smaller than that in MOFs. In addition, the present work shows that the ideal adsorbed solution theory (IAST) is applicable to most COFs. Note de contenu : Bibiogr. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901488f [article] Comparative study of separation performance of COFs and MOFs for CH4/CO2/H2 mixtures [texte imprimé] / Yunhua Liu, Auteur ; Dahuan Liu, Auteur ; Qingyuan Yang, Auteur . - 2010 . - pp. 2902–2906. Industrial Chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 6 (Mars 2010) . - pp. 2902–2906 Mots-clés : COFs--MOFs--CH4/CO2/H2--Comparative--  Mixtures Résumé : In this work, grand canonical Monte Carlo (GCMC) simulations were performed to evaluate the separation performance of covalent organic frameworks (COFs) compared with that of metal−organic frameworks (MOFs) for CH4/CO2/H2 mixtures. The simulation results show that the adsorption selectivities of COFs and MOFs are similar. The electrostatic contribution of framework charges in COFs should be taken into account, although it is smaller than that in MOFs. In addition, the present work shows that the ideal adsorbed solution theory (IAST) is applicable to most COFs. Note de contenu : Bibiogr. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901488f