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Application of a new lattice-fluid equation of state based on chemical-association theory for polymer systems / Xiaochun Xu in Industrial & engineering chemistry research, Vol. 48 N° 16 (Août 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N° 16 (Août 2009) . - pp. 7828–7837 Titre : Application of a new lattice-fluid equation of state based on chemical-association theory for polymer systems Type de document : texte imprimé Auteurs : Xiaochun Xu, Auteur ; Changjun Peng, Auteur ; Guiping Cao, Auteur Année de publication : 2009 Article en page(s) : pp. 7828–7837 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Lattice-fluid  equation  of  state  Fluid  systems  Ionic  liquid  systems Résumé : In our previous work, a new lattice-fluid equation of state (LF-EoS) was developed and successfully applied to normal fluid systems and ionic liquid systems. In this work, this LF-EoS is further extended to describe thermodynamic properties of polymer systems. First, the model parameters for polymers were determined by fitting experimental pVT data of polymers over a wide temperature and pressure range. Then, the LF-EoS was applied for calculating vapor−liquid equilibrium (VLE) of polymer−solvent systems using one adjustable binary parameter κ12. The solubility of gas in polymer can be calculated up to a high pressure. Moreover, a new parameter Cr was introduced to describe the effect of composition of mixtures on chain length parameter r, and several typical liquid−liquid equilibrium behaviors of polymer solutions can be successfully reproduced. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie900676n [article] Application of a new lattice-fluid equation of state based on chemical-association theory for polymer systems [texte imprimé] / Xiaochun Xu, Auteur ; Changjun Peng, Auteur ; Guiping Cao, Auteur . - 2009 . - pp. 7828–7837. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 16 (Août 2009) . - pp. 7828–7837 Mots-clés : Lattice-fluid  equation  of  state  Fluid  systems  Ionic  liquid  systems Résumé : In our previous work, a new lattice-fluid equation of state (LF-EoS) was developed and successfully applied to normal fluid systems and ionic liquid systems. In this work, this LF-EoS is further extended to describe thermodynamic properties of polymer systems. First, the model parameters for polymers were determined by fitting experimental pVT data of polymers over a wide temperature and pressure range. Then, the LF-EoS was applied for calculating vapor−liquid equilibrium (VLE) of polymer−solvent systems using one adjustable binary parameter κ12. The solubility of gas in polymer can be calculated up to a high pressure. Moreover, a new parameter Cr was introduced to describe the effect of composition of mixtures on chain length parameter r, and several typical liquid−liquid equilibrium behaviors of polymer solutions can be successfully reproduced. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie900676n

Modeling pVT properties and phase equilibria for systems containing ionic liquids using a new lattice-fluid equation of state / Xiaochun Xu in Industrial & engineering chemistry research, Vol. 48 N° 24 (Décembre 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N° 24 (Décembre 2009) . - pp. 11189–11201 Titre : Modeling pVT properties and phase equilibria for systems containing ionic liquids using a new lattice-fluid equation of state Type de document : texte imprimé Auteurs : Xiaochun Xu, Auteur ; Changjun Peng, Auteur ; Honglai Liu, Auteur Année de publication : 2010 Article en page(s) : pp. 11189–11201 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Modeling--pVT--Properties--Phase  Equilibria--Systems--Containing--Ionic--Liquids  Using--Lattice-Fluid--Equation Résumé : The cations or anions of ionic liquids (ILs) usually have long alkyl chains or chainlike structures. Therefore, ILs can be reasonably considered as fluids containing neutral chainlike molecules. Lattice-based molecular thermodynamic models generally used for polymer systems can be applied to describe the thermodynamic properties and phase behavior of IL systems. In our previous work, a new lattice-fluid equation of state (LF EoS) was developed and successfully applied to normal fluid systems (Xu et al., Fluid Phase Equilib. 2008, 265, 112.). In this work, this LF EoS is further extended to model the pVT properties and phase equilibria of IL systems. The molecular parameters of ILs in this EoS were determined by correlating the experimental pVT data of pure ILs. It is shown that the pVT behavior of IL mixtures can be fairly well predicted by these parameters. The vapor−liquid equilibria (VLE) of binary IL−solvent systems were calculated by using an adjustable binary parameter, κ12. For liquid−liquid equilibria (LLE) of binary IL systems, a parameter Cr describing the effect of the mixture composition on the chain-length parameter r is further used, and satisfactory correlation is obtained. The upper critical solution temperature (UCST) can be predicted successfully. Moreover, the EoS reproduces the solubility data for carbon dioxide (CO2) in various ILs covering a wide range of pressures (0−100 MPa), and it describes the global behavior of trifluoromethane (CHF3) and IL mixtures. The results reveal that the LF EoS is well-suited for the calculation or prediction of the thermodynamic properties of systems containing ILs. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie9011722 [article] Modeling pVT properties and phase equilibria for systems containing ionic liquids using a new lattice-fluid equation of state [texte imprimé] / Xiaochun Xu, Auteur ; Changjun Peng, Auteur ; Honglai Liu, Auteur . - 2010 . - pp. 11189–11201. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 24 (Décembre 2009) . - pp. 11189–11201 Mots-clés : Modeling--pVT--Properties--Phase  Equilibria--Systems--Containing--Ionic--Liquids  Using--Lattice-Fluid--Equation Résumé : The cations or anions of ionic liquids (ILs) usually have long alkyl chains or chainlike structures. Therefore, ILs can be reasonably considered as fluids containing neutral chainlike molecules. Lattice-based molecular thermodynamic models generally used for polymer systems can be applied to describe the thermodynamic properties and phase behavior of IL systems. In our previous work, a new lattice-fluid equation of state (LF EoS) was developed and successfully applied to normal fluid systems (Xu et al., Fluid Phase Equilib. 2008, 265, 112.). In this work, this LF EoS is further extended to model the pVT properties and phase equilibria of IL systems. The molecular parameters of ILs in this EoS were determined by correlating the experimental pVT data of pure ILs. It is shown that the pVT behavior of IL mixtures can be fairly well predicted by these parameters. The vapor−liquid equilibria (VLE) of binary IL−solvent systems were calculated by using an adjustable binary parameter, κ12. For liquid−liquid equilibria (LLE) of binary IL systems, a parameter Cr describing the effect of the mixture composition on the chain-length parameter r is further used, and satisfactory correlation is obtained. The upper critical solution temperature (UCST) can be predicted successfully. Moreover, the EoS reproduces the solubility data for carbon dioxide (CO2) in various ILs covering a wide range of pressures (0−100 MPa), and it describes the global behavior of trifluoromethane (CHF3) and IL mixtures. The results reveal that the LF EoS is well-suited for the calculation or prediction of the thermodynamic properties of systems containing ILs. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie9011722

Modeling pVT properties and phase equilibria for systems containing ionic liquids using a new lattice-fluid equation of state / Xiaochun Xu in Industrial & engineering chemistry research, Vol. 48 N° 24 (Décembre 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N° 24 (Décembre 2009) . - pp. 11189–11201 Titre : Modeling pVT properties and phase equilibria for systems containing ionic liquids using a new lattice-fluid equation of state Type de document : texte imprimé Auteurs : Xiaochun Xu, Auteur ; Changjun Peng, Auteur ; Honglai Liu, Auteur Année de publication : 2010 Article en page(s) : pp. 11189–11201 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Ionic  liquids  Chainlike  structures Résumé : The cations or anions of ionic liquids (ILs) usually have long alkyl chains or chainlike structures. Therefore, ILs can be reasonably considered as fluids containing neutral chainlike molecules. Lattice-based molecular thermodynamic models generally used for polymer systems can be applied to describe the thermodynamic properties and phase behavior of IL systems. In our previous work, a new lattice-fluid equation of state (LF EoS) was developed and successfully applied to normal fluid systems (Xu et al., Fluid Phase Equilib. 2008, 265, 112.). In this work, this LF EoS is further extended to model the pVT properties and phase equilibria of IL systems. The molecular parameters of ILs in this EoS were determined by correlating the experimental pVT data of pure ILs. It is shown that the pVT behavior of IL mixtures can be fairly well predicted by these parameters. The vapor−liquid equilibria (VLE) of binary IL−solvent systems were calculated by using an adjustable binary parameter, κ12. For liquid−liquid equilibria (LLE) of binary IL systems, a parameter Cr describing the effect of the mixture composition on the chain-length parameter r is further used, and satisfactory correlation is obtained. The upper critical solution temperature (UCST) can be predicted successfully. Moreover, the EoS reproduces the solubility data for carbon dioxide (CO2) in various ILs covering a wide range of pressures (0−100 MPa), and it describes the global behavior of trifluoromethane (CHF3) and IL mixtures. The results reveal that the LF EoS is well-suited for the calculation or prediction of the thermodynamic properties of systems containing ILs. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie9011722 [article] Modeling pVT properties and phase equilibria for systems containing ionic liquids using a new lattice-fluid equation of state [texte imprimé] / Xiaochun Xu, Auteur ; Changjun Peng, Auteur ; Honglai Liu, Auteur . - 2010 . - pp. 11189–11201. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 24 (Décembre 2009) . - pp. 11189–11201 Mots-clés : Ionic  liquids  Chainlike  structures Résumé : The cations or anions of ionic liquids (ILs) usually have long alkyl chains or chainlike structures. Therefore, ILs can be reasonably considered as fluids containing neutral chainlike molecules. Lattice-based molecular thermodynamic models generally used for polymer systems can be applied to describe the thermodynamic properties and phase behavior of IL systems. In our previous work, a new lattice-fluid equation of state (LF EoS) was developed and successfully applied to normal fluid systems (Xu et al., Fluid Phase Equilib. 2008, 265, 112.). In this work, this LF EoS is further extended to model the pVT properties and phase equilibria of IL systems. The molecular parameters of ILs in this EoS were determined by correlating the experimental pVT data of pure ILs. It is shown that the pVT behavior of IL mixtures can be fairly well predicted by these parameters. The vapor−liquid equilibria (VLE) of binary IL−solvent systems were calculated by using an adjustable binary parameter, κ12. For liquid−liquid equilibria (LLE) of binary IL systems, a parameter Cr describing the effect of the mixture composition on the chain-length parameter r is further used, and satisfactory correlation is obtained. The upper critical solution temperature (UCST) can be predicted successfully. Moreover, the EoS reproduces the solubility data for carbon dioxide (CO2) in various ILs covering a wide range of pressures (0−100 MPa), and it describes the global behavior of trifluoromethane (CHF3) and IL mixtures. The results reveal that the LF EoS is well-suited for the calculation or prediction of the thermodynamic properties of systems containing ILs. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie9011722