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New group-interaction parameters of the UNIFAC model / Weiping Luo in Industrial & engineering chemistry research, Vol. 50 N° 7 (Avril 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4099-4105 Titre : New group-interaction parameters of the UNIFAC model : aromatic carboxyl binaries Type de document : texte imprimé Auteurs : Weiping Luo, Auteur ; Qinbo Wang, Auteur ; Liqun Fu, Auteur Année de publication : 2011 Article en page(s) : pp. 4099-4105 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Modeling  Interaction  parameter Résumé : The solubility of p-toluic acid (PTA) in acetic acid (HOAc) + water solvent mixtures was measured by a static method. The experimental temperature ranged from 303.2 to 363.2 K, and the mole traction of acetic acid in the solvent mixtures ranged from 0.546 to 1.000. Together with the available solid―liquid equilibrium (SLE) data for ternary systems of terephthalic acid (TPA) + HOAc + H2O and benzoic acid (BA) + HOAc + H2O, the interaction parameters of the new UNIFAC group ArCOOH, defined as an aromatic group (Ar) plus an (aromatic) carboxyl group (COOH), with an aliphatic carboxyl group (COOH), methyl group (CH3 and CH2), aromatic group (Ar), aromatic methyl group (ArCH3), and water are determined. By using the new defined group ArCOOH, the UNIFAC model predicted SLE data for the above three ternary systems agree with the experimentally determined results satisfactorily. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24027657 [article] New group-interaction parameters of the UNIFAC model : aromatic carboxyl binaries [texte imprimé] / Weiping Luo, Auteur ; Qinbo Wang, Auteur ; Liqun Fu, Auteur . - 2011 . - pp. 4099-4105. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4099-4105 Mots-clés : Modeling  Interaction  parameter Résumé : The solubility of p-toluic acid (PTA) in acetic acid (HOAc) + water solvent mixtures was measured by a static method. The experimental temperature ranged from 303.2 to 363.2 K, and the mole traction of acetic acid in the solvent mixtures ranged from 0.546 to 1.000. Together with the available solid―liquid equilibrium (SLE) data for ternary systems of terephthalic acid (TPA) + HOAc + H2O and benzoic acid (BA) + HOAc + H2O, the interaction parameters of the new UNIFAC group ArCOOH, defined as an aromatic group (Ar) plus an (aromatic) carboxyl group (COOH), with an aliphatic carboxyl group (COOH), methyl group (CH3 and CH2), aromatic group (Ar), aromatic methyl group (ArCH3), and water are determined. By using the new defined group ArCOOH, the UNIFAC model predicted SLE data for the above three ternary systems agree with the experimentally determined results satisfactorily. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24027657