Documents disponibles écrits par cet auteur

Affinity and packing of benzene, toluene, and p - xylene adsorption on a graphitic surface and in pores / Nikom Klomkliang in Industrial & engineering chemistry research, Vol. 51 N° 14 (Avril 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 14 (Avril 2012) . - pp. 5320–5329 Titre : Affinity and packing of benzene, toluene, and p - xylene adsorption on a graphitic surface and in pores Type de document : texte imprimé Auteurs : Nikom Klomkliang, Auteur ; D. D. Do, Auteur ; D. Nicholson, Auteur Année de publication : 2012 Article en page(s) : pp. 5320–5329 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Adsorption  benzene  Toluene Résumé : A grand canonical Monte Carlo simulation has been carried out at ambient temperature to investigate the adsorption of benzene, toluene, and p-xylene (BTX) on a graphite surface and in a graphitic slit and cylindrical pores. Particular emphasis has been paid to the effects of the confined space on the affinity and packing density. Simulation results for adsorption on a graphite surface were tested against the experimental data to validate the potential models used in the description of adsorption. Our extensive simulation has shown that on an open graphite surface, where there is no restriction in the packing, p-xylene has the highest affinity and adsorbed amount at a given reduced pressure and benzene has the lowest values, due to the additional interaction of the methyl groups with the surface. In a confined space, the order of the affinity remains the same, but the packing (hence the amount adsorbed per unit physical pore volume) is affected by the geometry of the space. It was found that benzene has the highest packing density, whether it is expressed in terms of moles or mass. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie300121p [article] Affinity and packing of benzene, toluene, and p - xylene adsorption on a graphitic surface and in pores [texte imprimé] / Nikom Klomkliang, Auteur ; D. D. Do, Auteur ; D. Nicholson, Auteur . - 2012 . - pp. 5320–5329. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 14 (Avril 2012) . - pp. 5320–5329 Mots-clés : Adsorption  benzene  Toluene Résumé : A grand canonical Monte Carlo simulation has been carried out at ambient temperature to investigate the adsorption of benzene, toluene, and p-xylene (BTX) on a graphite surface and in a graphitic slit and cylindrical pores. Particular emphasis has been paid to the effects of the confined space on the affinity and packing density. Simulation results for adsorption on a graphite surface were tested against the experimental data to validate the potential models used in the description of adsorption. Our extensive simulation has shown that on an open graphite surface, where there is no restriction in the packing, p-xylene has the highest affinity and adsorbed amount at a given reduced pressure and benzene has the lowest values, due to the additional interaction of the methyl groups with the surface. In a confined space, the order of the affinity remains the same, but the packing (hence the amount adsorbed per unit physical pore volume) is affected by the geometry of the space. It was found that benzene has the highest packing density, whether it is expressed in terms of moles or mass. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie300121p

Novel method to determine accessible volume, area, and pore size distribution of activated carbon / L. F. Herrera in Industrial & engineering chemistry research, Vol. 50 N° 7 (Avril 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4150–4160 Titre : Novel method to determine accessible volume, area, and pore size distribution of activated carbon Type de document : texte imprimé Auteurs : L. F. Herrera, Auteur ; Chunyan Fan, Auteur ; D. D. Do, Auteur Année de publication : 2011 Article en page(s) : pp. 4150–4160 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Activated  carbon Résumé : We present a new procedure to determine the geometric area, accessible pore volume, and pore size distribution of activated carbon, and we test this with a detailed computer simulation study of a number of porous solid models. For these model adsorbents with known atom configurations, we determine the “intrinsic” accessible volume, the surface area, and pore size distribution using the Monte Carlo integration method proposed by Herrera et al. (Herrera, L.; Do, D. D.; Nicholson, D. A Monte Carlo integration method to determine accessible volume, accessible surface area and its fractal dimension. J. Colloid Interface Sci.2010, 348 (2), 529−536). The inverse problem postulates that the theoretical adsorption isotherm is a linear combination of local isotherms, and matches the theoretical isotherm to the “computer-experimental” adsorption isotherm. The results suggest that this method is a promising tool to determine structural parameters of a porous solid. As a corollary, we propose a definition for the absolute isotherm as an alternative to the excess isotherm used in the literature. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie102169u [article] Novel method to determine accessible volume, area, and pore size distribution of activated carbon [texte imprimé] / L. F. Herrera, Auteur ; Chunyan Fan, Auteur ; D. D. Do, Auteur . - 2011 . - pp. 4150–4160. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4150–4160 Mots-clés : Activated  carbon Résumé : We present a new procedure to determine the geometric area, accessible pore volume, and pore size distribution of activated carbon, and we test this with a detailed computer simulation study of a number of porous solid models. For these model adsorbents with known atom configurations, we determine the “intrinsic” accessible volume, the surface area, and pore size distribution using the Monte Carlo integration method proposed by Herrera et al. (Herrera, L.; Do, D. D.; Nicholson, D. A Monte Carlo integration method to determine accessible volume, accessible surface area and its fractal dimension. J. Colloid Interface Sci.2010, 348 (2), 529−536). The inverse problem postulates that the theoretical adsorption isotherm is a linear combination of local isotherms, and matches the theoretical isotherm to the “computer-experimental” adsorption isotherm. The results suggest that this method is a promising tool to determine structural parameters of a porous solid. As a corollary, we propose a definition for the absolute isotherm as an alternative to the excess isotherm used in the literature. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie102169u