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Equilibrium studies on enantioselective liquid-liquid Amino Acid extraction using a cinchona alkaloid extractant / Boelo Schuur ; Jozef G.M. Winkelman ; Hero J. Heeres in Industrial & engineering chemistry research, Vol. 47 n°24 (Décembre 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 n°24 (Décembre 2008) . - p. 10027–10033 Titre : Equilibrium studies on enantioselective liquid-liquid Amino Acid extraction using a cinchona alkaloid extractant Type de document : texte imprimé Auteurs : Boelo Schuur, Auteur ; Jozef G.M. Winkelman, Auteur ; Hero J. Heeres, Auteur Année de publication : 2009 Article en page(s) : p. 10027–10033 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Liquid-Liquid  Amino  Acid Résumé : The enantioselective extraction of aqueous 3,5-dinitrobenzoyl-R,S-leucine (AR,S) by a cinchona alkaloid extractant (C) in 1,2-dichloroethane was studied at room temperature (294 K) in a batch system for a range of intake concentrations (10−4−10−3 mol/L) and pH values (3.8−6.6). The experimental data were described by a reactive extraction model with a homogeneous organic phase reaction of AR,S with C. Important parameters of this model were determined experimentally. The acid dissociation constant, Ka, of AR,S was (1.92 ± 0.07) × 10−4 mol/L. The physical distribution coefficient of AR,S between the organic and aqueous phase was 8.04 ± 0.39. The equilibrium constants of the organic phase complexation reaction were (9.31 ± 0.76) × 104 L/mol and (2.71 ± 0.76) × 104 L/mol for the S- and R-enantiomers, respectively. With these parameters an optimum performance factor, PF, of 0.19 was predicted. The PF was independent of the pH provided that pH ≫ pKa. The model was verified experimentally with excellent results (±7.9%). En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800668e [article] Equilibrium studies on enantioselective liquid-liquid Amino Acid extraction using a cinchona alkaloid extractant [texte imprimé] / Boelo Schuur, Auteur ; Jozef G.M. Winkelman, Auteur ; Hero J. Heeres, Auteur . - 2009 . - p. 10027–10033. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 n°24 (Décembre 2008) . - p. 10027–10033 Mots-clés : Liquid-Liquid  Amino  Acid Résumé : The enantioselective extraction of aqueous 3,5-dinitrobenzoyl-R,S-leucine (AR,S) by a cinchona alkaloid extractant (C) in 1,2-dichloroethane was studied at room temperature (294 K) in a batch system for a range of intake concentrations (10−4−10−3 mol/L) and pH values (3.8−6.6). The experimental data were described by a reactive extraction model with a homogeneous organic phase reaction of AR,S with C. Important parameters of this model were determined experimentally. The acid dissociation constant, Ka, of AR,S was (1.92 ± 0.07) × 10−4 mol/L. The physical distribution coefficient of AR,S between the organic and aqueous phase was 8.04 ± 0.39. The equilibrium constants of the organic phase complexation reaction were (9.31 ± 0.76) × 104 L/mol and (2.71 ± 0.76) × 104 L/mol for the S- and R-enantiomers, respectively. With these parameters an optimum performance factor, PF, of 0.19 was predicted. The PF was independent of the pH provided that pH ≫ pKa. The model was verified experimentally with excellent results (±7.9%). En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800668e

Modeling and experimental studies on phase and chemical equilibria in high - pressure methanol synthesis / Joost G. Van Bennekom in Industrial & engineering chemistry research, Vol. 51 N° 38 (Septembre 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 38 (Septembre 2012) . - pp. 12233–12243 Titre : Modeling and experimental studies on phase and chemical equilibria in high - pressure methanol synthesis Type de document : texte imprimé Auteurs : Joost G. Van Bennekom, Auteur ; Jozef G.M. Winkelman, Auteur ; Robertus H. Venderbosch, Auteur Année de publication : 2012 Article en page(s) : pp. 12233–12243 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Chemical  equilibria Résumé : A solution method was developed to calculate the simultaneous phase and chemical equilibria in high-pressure methanol synthesis (P = 20 MPa, 463 < T < 553 K). Algorithms were developed that explicitly consider the existence of a condensed phase and include dew point calculations. A modification of the Soave–Redlich–Kwong equation of state was used to correct for nonideal effects. Binary interaction coefficients were derived from literature data on high-pressure binary vapor–liquid equilibria. Predicted equilibrium conversions, with and without formation of a liquid phase, were successfully verified with new experimental results on high-pressure methanol synthesis obtained in a packed bed methanol synthesis reactor. Experimental data coincide very well with model predictions for the equilibrium conversion and gas composition. Remarkably, in some situations the model calculations appeared to predict condensation followed by a disappearing liquid phase (retrograde-like behavior) with increasing extent of the methanol synthesis reactions. Finally, at equilibrium only a gas phase remained present. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3017362 [article] Modeling and experimental studies on phase and chemical equilibria in high - pressure methanol synthesis [texte imprimé] / Joost G. Van Bennekom, Auteur ; Jozef G.M. Winkelman, Auteur ; Robertus H. Venderbosch, Auteur . - 2012 . - pp. 12233–12243. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 38 (Septembre 2012) . - pp. 12233–12243 Mots-clés : Chemical  equilibria Résumé : A solution method was developed to calculate the simultaneous phase and chemical equilibria in high-pressure methanol synthesis (P = 20 MPa, 463 < T < 553 K). Algorithms were developed that explicitly consider the existence of a condensed phase and include dew point calculations. A modification of the Soave–Redlich–Kwong equation of state was used to correct for nonideal effects. Binary interaction coefficients were derived from literature data on high-pressure binary vapor–liquid equilibria. Predicted equilibrium conversions, with and without formation of a liquid phase, were successfully verified with new experimental results on high-pressure methanol synthesis obtained in a packed bed methanol synthesis reactor. Experimental data coincide very well with model predictions for the equilibrium conversion and gas composition. Remarkably, in some situations the model calculations appeared to predict condensation followed by a disappearing liquid phase (retrograde-like behavior) with increasing extent of the methanol synthesis reactions. Finally, at equilibrium only a gas phase remained present. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3017362