Adsorption and diffusion of methanol, glycerol, and their mixtures in a metal organic framework / Li Yang in Industrial & engineering chemistry research, Vol. 50 N° 24 (Décembre 2011)  

Adsorption and diffusion of methanol, glycerol, and their mixtures in a metal organic framework [texte imprimé] / Li Yang, Auteur ; Stanley I. Sandler, Auteur ; Dionisios G. Vlachos, Auteur . - 2012 . - pp. 14084-14089.
Chimie industrielle
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 50 N° 24 (Décembre 2011) . - pp. 14084-14089

Mots-clés :	Diffusion Adsorption
Résumé :	Grand Canonical Monte Carlo (GCMC) simulation has been used to study the adsorption of methanol, glycerol, and their mixtures in the metal organic framework IRMOF-1, and canonical ensemble molecular dynamics simulation was used to study their diffusion in that adsorbent. In particular, we consider the adsorption of pure glycerol in IRMOF-1 at several different temperatures and the diffusion of pure glycerol in IRMOF-1 at infinite dilution. Then, we study the influence of the methanol as solvent and how different concentrations of methanol affect the behavior of glycerol in IRMOF-1. It It is found that the glycerol is easily adsorbed into IRMOF-1, and a small concentration of adsorbed methanol promotes glycerol adsorption. The effect of methanol on the glycerol diffusivity depends on temperature and methanol concentration.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25299876