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Détail de l'auteur
Auteur Stanley I. Sandler
Documents disponibles écrits par cet auteur
Affiner la rechercheAdsorption and diffusion of methanol, glycerol, and their mixtures in a metal organic framework / Yang, Li in Industrial & engineering chemistry research, Vol. 50 N° 24 (Décembre 2011)
[article]
in Industrial & engineering chemistry research > Vol. 50 N° 24 (Décembre 2011) . - pp. 14084-14089
Titre : Adsorption and diffusion of methanol, glycerol, and their mixtures in a metal organic framework Type de document : texte imprimé Auteurs : Yang, Li, Auteur ; Stanley I. Sandler, Auteur ; Dionisios G. Vlachos, Auteur Année de publication : 2012 Article en page(s) : pp. 14084-14089 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Diffusion Adsorption Résumé : Grand Canonical Monte Carlo (GCMC) simulation has been used to study the adsorption of methanol, glycerol, and their mixtures in the metal organic framework IRMOF-1, and canonical ensemble molecular dynamics simulation was used to study their diffusion in that adsorbent. In particular, we consider the adsorption of pure glycerol in IRMOF-1 at several different temperatures and the diffusion of pure glycerol in IRMOF-1 at infinite dilution. Then, we study the influence of the methanol as solvent and how different concentrations of methanol affect the behavior of glycerol in IRMOF-1. It It is found that the glycerol is easily adsorbed into IRMOF-1, and a small concentration of adsorbed methanol promotes glycerol adsorption. The effect of methanol on the glycerol diffusivity depends on temperature and methanol concentration. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25299876 [article] Adsorption and diffusion of methanol, glycerol, and their mixtures in a metal organic framework [texte imprimé] / Yang, Li, Auteur ; Stanley I. Sandler, Auteur ; Dionisios G. Vlachos, Auteur . - 2012 . - pp. 14084-14089.
Chimie industrielle
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 50 N° 24 (Décembre 2011) . - pp. 14084-14089
Mots-clés : Diffusion Adsorption Résumé : Grand Canonical Monte Carlo (GCMC) simulation has been used to study the adsorption of methanol, glycerol, and their mixtures in the metal organic framework IRMOF-1, and canonical ensemble molecular dynamics simulation was used to study their diffusion in that adsorbent. In particular, we consider the adsorption of pure glycerol in IRMOF-1 at several different temperatures and the diffusion of pure glycerol in IRMOF-1 at infinite dilution. Then, we study the influence of the methanol as solvent and how different concentrations of methanol affect the behavior of glycerol in IRMOF-1. It It is found that the glycerol is easily adsorbed into IRMOF-1, and a small concentration of adsorbed methanol promotes glycerol adsorption. The effect of methanol on the glycerol diffusivity depends on temperature and methanol concentration. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25299876 Prediction of the phase behavior of Ionic liquid solutions / Li Yang in Industrial & engineering chemistry research, Vol. 49 N° 24 (Décembre 2010)
[article]
in Industrial & engineering chemistry research > Vol. 49 N° 24 (Décembre 2010) . - pp. 12596-12604
Titre : Prediction of the phase behavior of Ionic liquid solutions Type de document : texte imprimé Auteurs : Li Yang, Auteur ; Stanley I. Sandler, Auteur ; Changjun Peng, Auteur Année de publication : 2011 Article en page(s) : pp. 12596-12604 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Ionic liquid Prediction Résumé : Here we examine the application of the COSMO-SAC model to phase equilibrium calculations of solutions containing ionic liquids (ILs). As there is uncertainty about the degree of ionization in these liquids, we consider three methods: treating the IL as a neutral molecule, as a separated anion and cation, and essentially as an ion pair. In the first case, the needed quantum mechanics calculation is done for the neutral molecule referred to as COSMO-SAC(molecule), and in the other two cases, the calculations are performed for the separated ions in which the IL is treated as two separate components, COSMO-SAC(ions) or COSMO-SAC(CA), in which the separate cosmo files are combined and the IL is treated as a single-component neutral ion pair. There is generally good agreement between the predicted results and the experimental data using COSMO-SAC(CA) and COSMO-SAC(ions), while for COSMO-SAC(molecule) the results are less satisfactory and the calculations are more difficult because of the problems with geometry optimization and the density functional calculations for the large intact IL molecules. The results show that the COSMO-SAC model can give reasonably good predictions for the vapor—liquid equilibria, liquid—liquid equilibria, and infinite dilution activity coefficients for solutions containing ionic liquids. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23692015 [article] Prediction of the phase behavior of Ionic liquid solutions [texte imprimé] / Li Yang, Auteur ; Stanley I. Sandler, Auteur ; Changjun Peng, Auteur . - 2011 . - pp. 12596-12604.
Chimie industrielle
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 49 N° 24 (Décembre 2010) . - pp. 12596-12604
Mots-clés : Ionic liquid Prediction Résumé : Here we examine the application of the COSMO-SAC model to phase equilibrium calculations of solutions containing ionic liquids (ILs). As there is uncertainty about the degree of ionization in these liquids, we consider three methods: treating the IL as a neutral molecule, as a separated anion and cation, and essentially as an ion pair. In the first case, the needed quantum mechanics calculation is done for the neutral molecule referred to as COSMO-SAC(molecule), and in the other two cases, the calculations are performed for the separated ions in which the IL is treated as two separate components, COSMO-SAC(ions) or COSMO-SAC(CA), in which the separate cosmo files are combined and the IL is treated as a single-component neutral ion pair. There is generally good agreement between the predicted results and the experimental data using COSMO-SAC(CA) and COSMO-SAC(ions), while for COSMO-SAC(molecule) the results are less satisfactory and the calculations are more difficult because of the problems with geometry optimization and the density functional calculations for the large intact IL molecules. The results show that the COSMO-SAC model can give reasonably good predictions for the vapor—liquid equilibria, liquid—liquid equilibria, and infinite dilution activity coefficients for solutions containing ionic liquids. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23692015 Salting-out of lysozyme and ovalbumin from mixtures / Yu-Chia Cheng in Industrial & engineering chemistry research, Vol. 47 n°15 (Août 2008)
[article]
in Industrial & engineering chemistry research > Vol. 47 n°15 (Août 2008) . - p. 5203–5213
Titre : Salting-out of lysozyme and ovalbumin from mixtures : predicting precipitation performance from protein-protein interactions Type de document : texte imprimé Auteurs : Yu-Chia Cheng, Auteur ; Carolina L. Bianco, Auteur ; Stanley I. Sandler, Auteur ; Abraham M. Lenhoff, Auteur Année de publication : 2008 Article en page(s) : p. 5203–5213 Note générale : Bibliogr. p. 5212-5213 Langues : Anglais (eng) Mots-clés : Protein−protein interactions -- ovalbumin; Protein−protein interactions -- lysozyme; Cross-interaction chromatograph Résumé : Protein−protein interactions, whether desirable or not, can have direct effects on protein separations. The most obvious of these are interactions between similar molecules, which determine the thermodynamic properties and phase behavior of protein solutions. Interactions between dissimilar molecules also affect the properties and phase behavior of protein mixtures and, therefore, protein separations. Here, we seek to quantify these effects by comparing precipitation behavior from binary solutions with direct measurements of protein−protein interactions using cross-interaction chromatography, which is a variant of affinity chromatography that provides data that can be interpreted in terms of the virial cross-coefficient. First, the effects of pH, ionic strength, different precipitants and the initial protein concentrations and their ratio on the binary precipitation of lysozyme and ovalbumin were investigated. Next, self- and cross-interaction measurements were used to suggest the optimal precipitation conditions for separating lysozyme from ovalbumin. The results show that protein interactions can explain anomalies and inconsistencies that frequently confound the extraction of meaningful general trends in separations analyses. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071462p [article] Salting-out of lysozyme and ovalbumin from mixtures : predicting precipitation performance from protein-protein interactions [texte imprimé] / Yu-Chia Cheng, Auteur ; Carolina L. Bianco, Auteur ; Stanley I. Sandler, Auteur ; Abraham M. Lenhoff, Auteur . - 2008 . - p. 5203–5213.
Bibliogr. p. 5212-5213
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 47 n°15 (Août 2008) . - p. 5203–5213
Mots-clés : Protein−protein interactions -- ovalbumin; Protein−protein interactions -- lysozyme; Cross-interaction chromatograph Résumé : Protein−protein interactions, whether desirable or not, can have direct effects on protein separations. The most obvious of these are interactions between similar molecules, which determine the thermodynamic properties and phase behavior of protein solutions. Interactions between dissimilar molecules also affect the properties and phase behavior of protein mixtures and, therefore, protein separations. Here, we seek to quantify these effects by comparing precipitation behavior from binary solutions with direct measurements of protein−protein interactions using cross-interaction chromatography, which is a variant of affinity chromatography that provides data that can be interpreted in terms of the virial cross-coefficient. First, the effects of pH, ionic strength, different precipitants and the initial protein concentrations and their ratio on the binary precipitation of lysozyme and ovalbumin were investigated. Next, self- and cross-interaction measurements were used to suggest the optimal precipitation conditions for separating lysozyme from ovalbumin. The results show that protein interactions can explain anomalies and inconsistencies that frequently confound the extraction of meaningful general trends in separations analyses. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071462p