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Thermodynamic modeling of the NH3 – CO2 – H2O system with electrolyte NRTL model / Huiling Que in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11406–11421 Titre : Thermodynamic modeling of the NH3 – CO2 – H2O system with electrolyte NRTL model Type de document : texte imprimé Auteurs : Huiling Que, Auteur ; Chau-Chyun Chen, Auteur Année de publication : 2011 Article en page(s) : pp. 11406–11421 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Thermodynamic  Electrolyte Résumé : To facilitate simulation, design, and optimization of chilled ammonia processes for CO2 capture, we develop a thermodynamic model for the NH3–CO2–H2O system with the electrolyte NRTL activity coefficient model. The thermodynamic model explicitly accounts for the solution chemistry which includes dissociations of H2O, NH3, and CO2, formation of ammonium carbamate, and precipitation of ammonium bicarbonate. The electrolyte NRTL activity coefficient model parameters are identified by fitting against selected experimental data for vapor–liquid equilibrium, heat of solution, and heat capacity of the NH3–H2O binary, solid–liquid equilibrium of the NH4HCO3–H2O binary, and vapor–liquid equilibrium and speciation of the NH3–CO2–H2O ternary. The model is further validated with additional VLE, speciation, heat capacity, and heat of solution data for the NH3–CO2–H2O system. Overall the model satisfactorily represents the thermodynamic properties of the NH3–CO2–H2O system with temperature up to 473 K, pressure up to 7 MPa, NH3 concentration up to 30 wt %, and CO2 loading up to unity. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201276m?mi=ulgef4&af=R&pageSize=100&prevSe [...] [article] Thermodynamic modeling of the NH3 – CO2 – H2O system with electrolyte NRTL model [texte imprimé] / Huiling Que, Auteur ; Chau-Chyun Chen, Auteur . - 2011 . - pp. 11406–11421. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11406–11421 Mots-clés : Thermodynamic  Electrolyte Résumé : To facilitate simulation, design, and optimization of chilled ammonia processes for CO2 capture, we develop a thermodynamic model for the NH3–CO2–H2O system with the electrolyte NRTL activity coefficient model. The thermodynamic model explicitly accounts for the solution chemistry which includes dissociations of H2O, NH3, and CO2, formation of ammonium carbamate, and precipitation of ammonium bicarbonate. The electrolyte NRTL activity coefficient model parameters are identified by fitting against selected experimental data for vapor–liquid equilibrium, heat of solution, and heat capacity of the NH3–H2O binary, solid–liquid equilibrium of the NH4HCO3–H2O binary, and vapor–liquid equilibrium and speciation of the NH3–CO2–H2O ternary. The model is further validated with additional VLE, speciation, heat capacity, and heat of solution data for the NH3–CO2–H2O system. Overall the model satisfactorily represents the thermodynamic properties of the NH3–CO2–H2O system with temperature up to 473 K, pressure up to 7 MPa, NH3 concentration up to 30 wt %, and CO2 loading up to unity. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201276m?mi=ulgef4&af=R&pageSize=100&prevSe [...]