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Modeling of solid-liquid equilibrium for the [HAE]Cl-MgCl2-H2O system / Junfeng Wang in Industrial & engineering chemistry research, Vol. 50 N° 13 (Juillet 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 13 (Juillet 2011) . - pp. 8314-8322 Titre : Modeling of solid-liquid equilibrium for the [HAE]Cl-MgCl2-H2O system Type de document : texte imprimé Auteurs : Junfeng Wang, Auteur ; Shunping Sun, Auteur ; Zhibao Li, Auteur Année de publication : 2011 Article en page(s) : pp. 8314-8322 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Phase  equilibrium  Liquid  solid  equilibrium  Modeling Résumé : The study of the solid-liquid phase equilibrium for the [HAE]Cl-MgCl2-H2O system is of significance for the preparation of anhydrous magnesium chloride using the thermal decomposition of the complex ([HAE]Cl·MgCl2·6H2O), which is synthesized by the reaction of aniline hydrochloride ([HAE]Cl) and bischofite (MgCl2·6H2O). In this study, a rigorous and thermodynamically consistent representation for the [HAE]Cl-MgCl2-H2O system was developed on the basis of the electrolyte nonrandom two-liquid (ENRTL) activity coefficient model embedded in Aspen Plus. The solubility of [HAE]Cl in water and magnesium chloride solutions over the temperature range from 277 to 370 K was measured by use of the dynamic method. With the equilibrium constant of [HAE]Cl obtained using experimental solubility of [HAE]Cl in water and the phase equilibrium equation, the new ENRTL parameters were obtained by regressing the solubility data for the two binary systems [HAE]Cl-H2O and MgCl2-H2O and the one ternary system [HAE]Cl-MgCl2-H2O at MgCl2 concentrations of 0.51 and 2.17 mol·kg-1. These obtained parameters could accurately predict the solubility for the ternary [HAE]Cl-MgCl2-H2O system at MgCl2 concentrations of 1.05, 1.56, 2.72, 3.21, 3.87, 4.32, and 5.05 mol·kg-1. The values at multiple saturated points at 298.15 and 323.15 K were accurately predicted with help of the newly developed model. The behavior of the ternary [HAE]Cl-MgCl2-H2O system at the two temperatures are successfully visualized with lucidity on an equilateral triangle. All of these will provide a thennodynamic basis for the preparation of the [ HAE] Cl·MgCl2·6H2O complex. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24332157 [article] Modeling of solid-liquid equilibrium for the [HAE]Cl-MgCl2-H2O system [texte imprimé] / Junfeng Wang, Auteur ; Shunping Sun, Auteur ; Zhibao Li, Auteur . - 2011 . - pp. 8314-8322. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 13 (Juillet 2011) . - pp. 8314-8322 Mots-clés : Phase  equilibrium  Liquid  solid  equilibrium  Modeling Résumé : The study of the solid-liquid phase equilibrium for the [HAE]Cl-MgCl2-H2O system is of significance for the preparation of anhydrous magnesium chloride using the thermal decomposition of the complex ([HAE]Cl·MgCl2·6H2O), which is synthesized by the reaction of aniline hydrochloride ([HAE]Cl) and bischofite (MgCl2·6H2O). In this study, a rigorous and thermodynamically consistent representation for the [HAE]Cl-MgCl2-H2O system was developed on the basis of the electrolyte nonrandom two-liquid (ENRTL) activity coefficient model embedded in Aspen Plus. The solubility of [HAE]Cl in water and magnesium chloride solutions over the temperature range from 277 to 370 K was measured by use of the dynamic method. With the equilibrium constant of [HAE]Cl obtained using experimental solubility of [HAE]Cl in water and the phase equilibrium equation, the new ENRTL parameters were obtained by regressing the solubility data for the two binary systems [HAE]Cl-H2O and MgCl2-H2O and the one ternary system [HAE]Cl-MgCl2-H2O at MgCl2 concentrations of 0.51 and 2.17 mol·kg-1. These obtained parameters could accurately predict the solubility for the ternary [HAE]Cl-MgCl2-H2O system at MgCl2 concentrations of 1.05, 1.56, 2.72, 3.21, 3.87, 4.32, and 5.05 mol·kg-1. The values at multiple saturated points at 298.15 and 323.15 K were accurately predicted with help of the newly developed model. The behavior of the ternary [HAE]Cl-MgCl2-H2O system at the two temperatures are successfully visualized with lucidity on an equilateral triangle. All of these will provide a thennodynamic basis for the preparation of the [ HAE] Cl·MgCl2·6H2O complex. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24332157

Solubility and self - consistent modeling of aniline hydrochloride in H – Mg – Na – Ca – Al – Cl – H2O system at the temperature range of 288 – 348 K / Shunping Sun in Industrial & engineering chemistry research, Vol. 51 N° 9 (Mars 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 9 (Mars 2012) . - pp. 3783–3790 Titre : Solubility and self - consistent modeling of aniline hydrochloride in H – Mg – Na – Ca – Al – Cl – H2O system at the temperature range of 288 – 348 K Type de document : texte imprimé Auteurs : Shunping Sun, Auteur ; Junfeng Wang, Auteur ; Zhibao Li, Auteur Année de publication : 2012 Article en page(s) : pp. 3783–3790 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Hydrochloric  acid Résumé : Previous work has proved that the preparation method of anhydrous magnesium chloride by using the thermal decomposition of the complex [HAE]Cl·MgCl2·6H2O is a potential process for commercial application. Normally, the complex [HAE]Cl·MgCl2·6H2O is synthesized by reaction crystallization of aniline hydrochloride (C6H5NH2·HCl, [HAE]Cl) and bischofite (MgCl2·6H2O). The study on the solubility of [HAE]Cl in hydrochloric acid and various chloride salt solutions plays a significant role in the development, analysis, and engineering design for this new process. This work is a continuation of our systematic study of the solubility of [HAE]Cl in different chloride media. The solubility of [HAE]Cl in different concentrations of HCl (1.19–6.98 mol·kg–1), NaCl (0.5–3.8 mol·kg–1), CaCl2 (0.5–4.5 mol·kg–1), AlCl3 (0.5–2.8 mol·kg–1), and their mixed solutions was determined using a dynamic method in the temperature range from 288 to 348 K. With the purpose of improving AspenPlus’s prediction capability, in regard to [HAE]Cl solubility data in the H–Mg–Na–Ca–Al–Cl–H2O systems at various temperatures, new model parameters were obtained via the regression of the experimental solubility of [HAE]Cl in single electrolyte solutions, such as HCl, NaCl, CaCl2, and AlCl3, under atmospheric pressure. With the newly obtained electrolyte NRTL (ENRTL) interaction parameters for [HAE]Cl–NaCl, [HAE]Cl–CaCl2, [HAE]Cl–AlCl3, and AlCl3–H2O, and default parameters for NaCl–H2O and CaCl2–H2O in AspenPlus, a self-consistent model for the system [HAE]–H–Mg–Na–Ca–Al–Cl–H2O was established with the maximum relative deviation of 4.3% between experimental and predicted solubility values. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2013949 [article] Solubility and self - consistent modeling of aniline hydrochloride in H – Mg – Na – Ca – Al – Cl – H2O system at the temperature range of 288 – 348 K [texte imprimé] / Shunping Sun, Auteur ; Junfeng Wang, Auteur ; Zhibao Li, Auteur . - 2012 . - pp. 3783–3790. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 9 (Mars 2012) . - pp. 3783–3790 Mots-clés : Hydrochloric  acid Résumé : Previous work has proved that the preparation method of anhydrous magnesium chloride by using the thermal decomposition of the complex [HAE]Cl·MgCl2·6H2O is a potential process for commercial application. Normally, the complex [HAE]Cl·MgCl2·6H2O is synthesized by reaction crystallization of aniline hydrochloride (C6H5NH2·HCl, [HAE]Cl) and bischofite (MgCl2·6H2O). The study on the solubility of [HAE]Cl in hydrochloric acid and various chloride salt solutions plays a significant role in the development, analysis, and engineering design for this new process. This work is a continuation of our systematic study of the solubility of [HAE]Cl in different chloride media. The solubility of [HAE]Cl in different concentrations of HCl (1.19–6.98 mol·kg–1), NaCl (0.5–3.8 mol·kg–1), CaCl2 (0.5–4.5 mol·kg–1), AlCl3 (0.5–2.8 mol·kg–1), and their mixed solutions was determined using a dynamic method in the temperature range from 288 to 348 K. With the purpose of improving AspenPlus’s prediction capability, in regard to [HAE]Cl solubility data in the H–Mg–Na–Ca–Al–Cl–H2O systems at various temperatures, new model parameters were obtained via the regression of the experimental solubility of [HAE]Cl in single electrolyte solutions, such as HCl, NaCl, CaCl2, and AlCl3, under atmospheric pressure. With the newly obtained electrolyte NRTL (ENRTL) interaction parameters for [HAE]Cl–NaCl, [HAE]Cl–CaCl2, [HAE]Cl–AlCl3, and AlCl3–H2O, and default parameters for NaCl–H2O and CaCl2–H2O in AspenPlus, a self-consistent model for the system [HAE]–H–Mg–Na–Ca–Al–Cl–H2O was established with the maximum relative deviation of 4.3% between experimental and predicted solubility values. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2013949