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Carbonization of poly (methyl methacrylate) by incorporating hydroxyapatite nanorods during thermal degradation / Yangyang Dong in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10903-10909 Titre : Carbonization of poly (methyl methacrylate) by incorporating hydroxyapatite nanorods during thermal degradation Type de document : texte imprimé Auteurs : Yangyang Dong, Auteur ; Zhou Gui, Auteur ; Saihua Jiang, Auteur Année de publication : 2011 Article en page(s) : pp. 10903-10909 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Thermal degradation Hydroxyapatite Carbonization Résumé : Poly(methyl methacrylate)/hydroxyapatite nanorod (PMMA/HANR) composites were synthesized by in situ polymerization of methyl methacrylate (MMA) in a suspension of HANRs in ethanol. It was found that the thermal properties of the composites were improved effectively by increasing the inorganic HANRloading, especially when the amount of loaded HANRs was high enough (≥9.3 wt %). The experimental results showed that graphitized char was generated in the residue after thermal degradation of the composites in air at 550 °C for 0.5 h. The residues of the composites with higher inorganic loadings formed a compact and continuous network structure made up of inorganic fillers and carbonaceous char. This indicates that the carbonization behavior of HANRs in PMMA matrix leads to improvement of the thermal properties of the polymer. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573283 [article] Carbonization of poly (methyl methacrylate) by incorporating hydroxyapatite nanorods during thermal degradation [texte imprimé] / Yangyang Dong, Auteur ; Zhou Gui, Auteur ; Saihua Jiang, Auteur . - 2011 . - pp. 10903-10909. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10903-10909 Mots-clés : Thermal degradation Hydroxyapatite Carbonization Résumé : Poly(methyl methacrylate)/hydroxyapatite nanorod (PMMA/HANR) composites were synthesized by in situ polymerization of methyl methacrylate (MMA) in a suspension of HANRs in ethanol. It was found that the thermal properties of the composites were improved effectively by increasing the inorganic HANRloading, especially when the amount of loaded HANRs was high enough (≥9.3 wt %). The experimental results showed that graphitized char was generated in the residue after thermal degradation of the composites in air at 550 °C for 0.5 h. The residues of the composites with higher inorganic loadings formed a compact and continuous network structure made up of inorganic fillers and carbonaceous char. This indicates that the carbonization behavior of HANRs in PMMA matrix leads to improvement of the thermal properties of the polymer. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573283

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Boron subphthalocyanine dyes / Emma R. L. Brisson in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10910-10917 Titre : Boron subphthalocyanine dyes : 3 - pentadecylphenol as a solubilizing molecular fragment Type de document : texte imprimé Auteurs : Emma R. L. Brisson, Auteur ; Andrew S. Paton, Auteur ; Graham E. Morse, Auteur Année de publication : 2011 Article en page(s) : pp. 10910-10917 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Dyes Résumé : We report the synthesis and characterization of a series of boronsubphthalocyanine (BsubPc) dyes which have organic solubility >10―2 M while being amenable to doping into polymeric films. To achieve high solubility we have placed the 3-pentadecylphenoxy molecular fragment in a variety of positions within the BsubPc chemical structure including around the periphery of the BsubPc ligand and in the axial position to the boron atom. We have found that placement of the 3-pentadecylphenoxy molecular fragment around the periphery adversely affects the photostability of the resulting BsubPc whereas placement in the axial position has little effect. We also confirm that the presence of fluorine atoms around the periphery improves the photostability. Overall we present a systematic study of the 3-pentadecylphenoxy fragment as a solubilizing moiety for BsubPc. The nature of the substituents and their position does not affect the nearly pure magenta color characteristic of BsubPc derivatives. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573284 [article] Boron subphthalocyanine dyes : 3 - pentadecylphenol as a solubilizing molecular fragment [texte imprimé] / Emma R. L. Brisson, Auteur ; Andrew S. Paton, Auteur ; Graham E. Morse, Auteur . - 2011 . - pp. 10910-10917. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10910-10917 Mots-clés : Dyes Résumé : We report the synthesis and characterization of a series of boronsubphthalocyanine (BsubPc) dyes which have organic solubility >10―2 M while being amenable to doping into polymeric films. To achieve high solubility we have placed the 3-pentadecylphenoxy molecular fragment in a variety of positions within the BsubPc chemical structure including around the periphery of the BsubPc ligand and in the axial position to the boron atom. We have found that placement of the 3-pentadecylphenoxy molecular fragment around the periphery adversely affects the photostability of the resulting BsubPc whereas placement in the axial position has little effect. We also confirm that the presence of fluorine atoms around the periphery improves the photostability. Overall we present a systematic study of the 3-pentadecylphenoxy fragment as a solubilizing moiety for BsubPc. The nature of the substituents and their position does not affect the nearly pure magenta color characteristic of BsubPc derivatives. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573284

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Reversible swelling / deswelling characteristics of ethylene glycol dimethacrylate cross - linked poly (acrylic acid - co - sodium acrylate - co - acrylamide) superabsorbents / Neelesh Bharti Shukla in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10918–10927 Titre : Reversible swelling / deswelling characteristics of ethylene glycol dimethacrylate cross - linked poly (acrylic acid - co - sodium acrylate - co - acrylamide) superabsorbents Type de document : texte imprimé Auteurs : Neelesh Bharti Shukla, Auteur ; Giridhar Madras, Auteur Année de publication : 2011 Article en page(s) : pp. 10918–10927 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Superabsorbent polymers Résumé : Poly(acrylic acid-co-sodium acrylate-co-acrylamide) superabsorbent polymers (SAPs) cross-linked with ethylene glycol dimethacrylate (EGDMA) were synthesized by inverse suspension polymerization. The SAPs were swollen in DI water, and it was found that the equilibrium swelling capacities varied with the acrylamide content. The SAPs were subjected to reversible swelling/deswelling cycles in DI water and aqueous NaCl solution, respectively. The effect of the addition of an electrolyte on the swelling of the SAP was explored. The equilibrium swelling capacity of the SAPs was found to decrease with increasing concentration of added electrolyte in the swelling medium. The effect of the particle size of the dry SAPs on the swelling properties was also investigated. A first order model was used to describe the kinetics of swelling/deswelling, and the equilibrium swelling capacity, limiting swelling capacity, and swelling/deswelling rate coefficients were determined. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie200713y [article] Reversible swelling / deswelling characteristics of ethylene glycol dimethacrylate cross - linked poly (acrylic acid - co - sodium acrylate - co - acrylamide) superabsorbents [texte imprimé] / Neelesh Bharti Shukla, Auteur ; Giridhar Madras, Auteur . - 2011 . - pp. 10918–10927. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10918–10927 Mots-clés : Superabsorbent polymers Résumé : Poly(acrylic acid-co-sodium acrylate-co-acrylamide) superabsorbent polymers (SAPs) cross-linked with ethylene glycol dimethacrylate (EGDMA) were synthesized by inverse suspension polymerization. The SAPs were swollen in DI water, and it was found that the equilibrium swelling capacities varied with the acrylamide content. The SAPs were subjected to reversible swelling/deswelling cycles in DI water and aqueous NaCl solution, respectively. The effect of the addition of an electrolyte on the swelling of the SAP was explored. The equilibrium swelling capacity of the SAPs was found to decrease with increasing concentration of added electrolyte in the swelling medium. The effect of the particle size of the dry SAPs on the swelling properties was also investigated. A first order model was used to describe the kinetics of swelling/deswelling, and the equilibrium swelling capacity, limiting swelling capacity, and swelling/deswelling rate coefficients were determined. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie200713y

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Enhanced bio - oil yield from liquefaction of cornstalk in sub - and supercritical ethanol by acid - chlorite pretreatment / Hua-Min Liu in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10928-10935 Titre : Enhanced bio - oil yield from liquefaction of cornstalk in sub - and supercritical ethanol by acid - chlorite pretreatment Type de document : texte imprimé Auteurs : Hua-Min Liu, Auteur ; Bing Feng, Auteur ; Run-Cang Sun, Auteur Année de publication : 2011 Article en page(s) : pp. 10928-10935 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Pretreatment Supercritical state Liquefaction Résumé : Acid―chlorite pretreatment was developed to enhance bio-oil yield and decrease the optimum reaction temperature of cornstalk liquefaction in a stainless steel reactor (0.5 L) at temperatures of 200—340 °C. The effects of liquefaction temperature and ethanol amount on the bio-oil yield from liquefaction of cornstalk before and after pretreatment were investigated. The results showed that the pretreatment could markedly enhance the bio-oil yield and decrease the optimum temperature. The highest bio-oil yield (31.4%) was obtained from the liquefaction at the reaction temperature of 260 °C from the 1.5 h pretreated cornstalk. Unpretreated and pretreated cornstalks differed in chemical components, in which the acid―chlorite pretreatment increased carbohydrate content and removed some amount of lignin. Scanning electron microscopy showed that the pretreated cornstalks had extensive anomalous porosity and lamellar structures. X-ray analysis showed that this pretreatment process was unable to break apart inter- and intrachain hydrogen bonding in cellulose fibrils. GC/MS analysis showed that the pretreatment had an important effect on the formation of various compounds in the bio-oiL. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573286 [article] Enhanced bio - oil yield from liquefaction of cornstalk in sub - and supercritical ethanol by acid - chlorite pretreatment [texte imprimé] / Hua-Min Liu, Auteur ; Bing Feng, Auteur ; Run-Cang Sun, Auteur . - 2011 . - pp. 10928-10935. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10928-10935 Mots-clés : Pretreatment Supercritical state Liquefaction Résumé : Acid―chlorite pretreatment was developed to enhance bio-oil yield and decrease the optimum reaction temperature of cornstalk liquefaction in a stainless steel reactor (0.5 L) at temperatures of 200—340 °C. The effects of liquefaction temperature and ethanol amount on the bio-oil yield from liquefaction of cornstalk before and after pretreatment were investigated. The results showed that the pretreatment could markedly enhance the bio-oil yield and decrease the optimum temperature. The highest bio-oil yield (31.4%) was obtained from the liquefaction at the reaction temperature of 260 °C from the 1.5 h pretreated cornstalk. Unpretreated and pretreated cornstalks differed in chemical components, in which the acid―chlorite pretreatment increased carbohydrate content and removed some amount of lignin. Scanning electron microscopy showed that the pretreated cornstalks had extensive anomalous porosity and lamellar structures. X-ray analysis showed that this pretreatment process was unable to break apart inter- and intrachain hydrogen bonding in cellulose fibrils. GC/MS analysis showed that the pretreatment had an important effect on the formation of various compounds in the bio-oiL. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573286

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Effect of la on Ni - W - B amorphous catalysts in hydrodeoxygenation of phenol / Weiyan Wang in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10936–10942 Titre : Effect of la on Ni - W - B amorphous catalysts in hydrodeoxygenation of phenol Type de document : texte imprimé Auteurs : Weiyan Wang, Auteur ; Yunquan Yang, Auteur ; Hean Luo, Auteur Année de publication : 2011 Article en page(s) : pp. 10936–10942 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Catalyst Résumé : Ni―W―B and La―promoted Ni―W―B amorphous catalysts were prepared by chemical reduction and applied within the hydrodeoxygenation (HDO) of phenol. The resulting catalysts were characterized by surface area, X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and scanning electron microscopy (SEM). The results showed that some of the electrons were transferred from B0 to Ni0 in Ni―W―B amorphous catalyst. La promoted the reduction of Ni2+ to Ni0 and increased the WO3 content on the catalyst surface. Adding appropriate La in Ni―W―B amorphous catalyst improved the amorphous degree of the catalyst, but excess amounts of La covered some active sites and decreased the catalyst surface area. The HDO of phenol on these amorphous catalysts proceeded via the hydrogenation―dehydration route, leading to no benzene in the products, which could meet the standard of clear fuel in European regulation. La―Ni―W―B amorphous catalysts exhibited higher activities in the HDO of phenol than Ni―W―B amorphous catalyst. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573287 [article] Effect of la on Ni - W - B amorphous catalysts in hydrodeoxygenation of phenol [texte imprimé] / Weiyan Wang, Auteur ; Yunquan Yang, Auteur ; Hean Luo, Auteur . - 2011 . - pp. 10936–10942. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10936–10942 Mots-clés : Catalyst Résumé : Ni―W―B and La―promoted Ni―W―B amorphous catalysts were prepared by chemical reduction and applied within the hydrodeoxygenation (HDO) of phenol. The resulting catalysts were characterized by surface area, X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and scanning electron microscopy (SEM). The results showed that some of the electrons were transferred from B0 to Ni0 in Ni―W―B amorphous catalyst. La promoted the reduction of Ni2+ to Ni0 and increased the WO3 content on the catalyst surface. Adding appropriate La in Ni―W―B amorphous catalyst improved the amorphous degree of the catalyst, but excess amounts of La covered some active sites and decreased the catalyst surface area. The HDO of phenol on these amorphous catalysts proceeded via the hydrogenation―dehydration route, leading to no benzene in the products, which could meet the standard of clear fuel in European regulation. La―Ni―W―B amorphous catalysts exhibited higher activities in the HDO of phenol than Ni―W―B amorphous catalyst. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573287

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Efficient Decomposition of Perfluorocarboxylic Acids in Aqueous Suspensions of a TiO2 Photocatalyst with Medium-Pressure Ultraviolet Lamp Irradiation under Atmospheric Pressure / Tsuyoshi Ochiai in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10943–10947 Titre : Efficient Decomposition of Perfluorocarboxylic Acids in Aqueous Suspensions of a TiO2 Photocatalyst with Medium-Pressure Ultraviolet Lamp Irradiation under Atmospheric Pressure Type de document : texte imprimé Auteurs : Tsuyoshi Ochiai, Auteur ; Yuichi Iizuka, Auteur ; Kazuya Nakata, Auteur Année de publication : 2011 Article en page(s) : pp. 10943–10947 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Photocatalyst Ultraviolet lamp irradiation Résumé : Decomposition of environmentally persistent perfluorooctanoic acid (PFOA) in aqueous suspensions of a TiO2 photocatalyst, with use of medium-pressure ultraviolet (MPUV) lamp irradiation alone, was examined under atmospheric pressure. Compared to direct photolysis, TiO2 photocatalysis led to efficient PFOA decomposition and production of CO2 and F–. PFOA decomposition followed pseudo-first-order kinetics, with observed rate constants of 1.3 × 10–2 and 8.6 × 10–2 dm3 h–1 in direct photolysis and TiO2 photocatalysis, respectively. The latter (photocatalytic) rate constant is 5–100 times greater than those obtained in other published research on the photocatalytic decomposition of PFOA. In the proposed decomposition pathway, PFOA molecules adsorb onto the TiO2 surface according to adsorption equilibrium in an aqueous suspension and could be easily decomposed by holes and radicals generated by MPUV lamp irradiation. Under the present reaction conditions, a narrow region of TiO2 concentrations around 1.5 wt % showed the maximum extent of PFOA decomposition, CO2 formation, and F– formation. The optimum rate can be attributed to a trade-off between an increase of photon absorption by TiO2 and a decrease in UV penetration below the surface of the TiO2 suspension. In the 1.5 wt % TiO2 photocatalyst concentration, 5 mM PFOA was almost totally decomposed during 4 h of MPUV lamp irradiation under atmospheric pressure. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie1017496#cor1 [article] Efficient Decomposition of Perfluorocarboxylic Acids in Aqueous Suspensions of a TiO2 Photocatalyst with Medium-Pressure Ultraviolet Lamp Irradiation under Atmospheric Pressure [texte imprimé] / Tsuyoshi Ochiai, Auteur ; Yuichi Iizuka, Auteur ; Kazuya Nakata, Auteur . - 2011 . - pp. 10943–10947. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10943–10947 Mots-clés : Photocatalyst Ultraviolet lamp irradiation Résumé : Decomposition of environmentally persistent perfluorooctanoic acid (PFOA) in aqueous suspensions of a TiO2 photocatalyst, with use of medium-pressure ultraviolet (MPUV) lamp irradiation alone, was examined under atmospheric pressure. Compared to direct photolysis, TiO2 photocatalysis led to efficient PFOA decomposition and production of CO2 and F–. PFOA decomposition followed pseudo-first-order kinetics, with observed rate constants of 1.3 × 10–2 and 8.6 × 10–2 dm3 h–1 in direct photolysis and TiO2 photocatalysis, respectively. The latter (photocatalytic) rate constant is 5–100 times greater than those obtained in other published research on the photocatalytic decomposition of PFOA. In the proposed decomposition pathway, PFOA molecules adsorb onto the TiO2 surface according to adsorption equilibrium in an aqueous suspension and could be easily decomposed by holes and radicals generated by MPUV lamp irradiation. Under the present reaction conditions, a narrow region of TiO2 concentrations around 1.5 wt % showed the maximum extent of PFOA decomposition, CO2 formation, and F– formation. The optimum rate can be attributed to a trade-off between an increase of photon absorption by TiO2 and a decrease in UV penetration below the surface of the TiO2 suspension. In the 1.5 wt % TiO2 photocatalyst concentration, 5 mM PFOA was almost totally decomposed during 4 h of MPUV lamp irradiation under atmospheric pressure. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie1017496#cor1

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Screening of new additives of active - carbon - supported heteropoly acid catalyst for friedel - crafts reaction by gaussian process regression / Kohji Omata in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10948-10954 Titre : Screening of new additives of active - carbon - supported heteropoly acid catalyst for friedel - crafts reaction by gaussian process regression Type de document : texte imprimé Auteurs : Kohji Omata, Auteur Année de publication : 2011 Article en page(s) : pp. 10948-10954 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Friedel Crafts reaction Acid catalysis Additive Résumé : Activity ofheteropoly acid catalyst supported on active carbon for Friedel―Crafts reaction was predicted by Gaussian process regression (GPR), using the five main principal components of physicochemical properties of elements of the additives. Effective additives that promote the activity were predicted by the regression model and verified by experiments. The performance and accuracy of the regression model was increased using the expected improvement, which can suggest the additional experiments necessary for the improvement of the regression model. The performance of the regression model by GPR was superior to that of the radial basis function network (RBFN) or the support vector machine (SVM). In addition to the results by RBFN and SVM, an excellent effect of Pt addition was discovered by GPR. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573289 [article] Screening of new additives of active - carbon - supported heteropoly acid catalyst for friedel - crafts reaction by gaussian process regression [texte imprimé] / Kohji Omata, Auteur . - 2011 . - pp. 10948-10954. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10948-10954 Mots-clés : Friedel Crafts reaction Acid catalysis Additive Résumé : Activity ofheteropoly acid catalyst supported on active carbon for Friedel―Crafts reaction was predicted by Gaussian process regression (GPR), using the five main principal components of physicochemical properties of elements of the additives. Effective additives that promote the activity were predicted by the regression model and verified by experiments. The performance and accuracy of the regression model was increased using the expected improvement, which can suggest the additional experiments necessary for the improvement of the regression model. The performance of the regression model by GPR was superior to that of the radial basis function network (RBFN) or the support vector machine (SVM). In addition to the results by RBFN and SVM, an excellent effect of Pt addition was discovered by GPR. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573289

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Role of A (A = Ca, Mg, Sr) over hexaaluminates La0.8A0.2NiAl11O19 for carbon dioxide reforming of methane / Jing Li in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10955-10961 Titre : Role of A (A = Ca, Mg, Sr) over hexaaluminates La0.8A0.2NiAl11O19 for carbon dioxide reforming of methane Type de document : texte imprimé Auteurs : Jing Li, Auteur ; Dong Wang, Auteur ; Guangdong Zhou, Auteur Année de publication : 2011 Article en page(s) : pp. 10955-10961 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Reforming Carbon dioxide Résumé : A study on hexaaluminates La0.8A0.2NiAl11O19 (A= Ca, Mg, Sr) as catalysts for CO2 reforming of CH4 was carried out by means of the XRD, TPR, TGA, XPS, and TEM techniques. It was found that the active Ni dispersion and Ni particle size depend strongly on the ionic radius of the alkaline earth metal (Ca, Mg, Sr). The ionic radius of Ca is less than that of La, and the difference between the ionic radii of Ca and La is lowest. The La0.8Ca0.2NiAl11O19 catalyst exhibited the highest activity compared to those of the other two catalysts, and it also showed a remarkably low carbon deposition. The presence of two types of carbon (deactivating encapsulating carbon and nondeactivating filamentous carbon) was observed by TEM. The filamentous carbon formed more easily over the La0.8Ca0.2NiAl11O19 catalyst. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573290 [article] Role of A (A = Ca, Mg, Sr) over hexaaluminates La0.8A0.2NiAl11O19 for carbon dioxide reforming of methane [texte imprimé] / Jing Li, Auteur ; Dong Wang, Auteur ; Guangdong Zhou, Auteur . - 2011 . - pp. 10955-10961. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10955-10961 Mots-clés : Reforming Carbon dioxide Résumé : A study on hexaaluminates La0.8A0.2NiAl11O19 (A= Ca, Mg, Sr) as catalysts for CO2 reforming of CH4 was carried out by means of the XRD, TPR, TGA, XPS, and TEM techniques. It was found that the active Ni dispersion and Ni particle size depend strongly on the ionic radius of the alkaline earth metal (Ca, Mg, Sr). The ionic radius of Ca is less than that of La, and the difference between the ionic radii of Ca and La is lowest. The La0.8Ca0.2NiAl11O19 catalyst exhibited the highest activity compared to those of the other two catalysts, and it also showed a remarkably low carbon deposition. The presence of two types of carbon (deactivating encapsulating carbon and nondeactivating filamentous carbon) was observed by TEM. The filamentous carbon formed more easily over the La0.8Ca0.2NiAl11O19 catalyst. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573290

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Kinetics and mechanism of permanganate oxidation of clopidogrel hydrogen sulfate / Kirthi S. Byadagi in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10962-10971 Titre : Kinetics and mechanism of permanganate oxidation of clopidogrel hydrogen sulfate : an antiplatelet drug in acid perchlorate solutions Type de document : texte imprimé Auteurs : Kirthi S. Byadagi, Auteur ; Rajeshwari V. Hosahalli, Auteur ; Sharanappa T. Nandibewoor, Auteur Année de publication : 2011 Article en page(s) : pp. 10962-10971 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Oxidation Kinetics Résumé : The oxidation of dopidogrel hydrogen sulfate, commercially known as Plavix, by permanganate ion in aqueous perchloric acid medium at a constant ionic strength (1 = 0.06 mol dm―3) has been investigated spectrophotometrically at 526 nm. The reaction between clopidogrel hydrogen sulfate and permanganate in acid medium exhibits a 5:4 stoichiometry. The identified oxidation products, 4,5,6,7-tetrahydrothieno[3,2-c]pyridine, (2-chlorophenyl)oxoacetic acid, and formaldehyde as a byproduct, are different from those obtained by biological metabolism. The reaction is first-order in MnO4― and less than first-order in both the clopidogrel hydrogen sulfate and H+ ion concentrations. The active species of permanganate was found to be HMnO4. The oxidation reaction in acid medium was found to proceed through a permanganate―clopidogrel complex that decomposes slowly in a rate-determining step followed by other fast steps to give the products. The main products were identified by spot test and IR and GC-MS spectral studies. The reaction constants involved in different steps of the mechanism were calculated at different temperatures. The activation parameters with respect to the slow step of the mechanism were computed, and thermodynamic quantities were also determined. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573291 [article] Kinetics and mechanism of permanganate oxidation of clopidogrel hydrogen sulfate : an antiplatelet drug in acid perchlorate solutions [texte imprimé] / Kirthi S. Byadagi, Auteur ; Rajeshwari V. Hosahalli, Auteur ; Sharanappa T. Nandibewoor, Auteur . - 2011 . - pp. 10962-10971. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10962-10971 Mots-clés : Oxidation Kinetics Résumé : The oxidation of dopidogrel hydrogen sulfate, commercially known as Plavix, by permanganate ion in aqueous perchloric acid medium at a constant ionic strength (1 = 0.06 mol dm―3) has been investigated spectrophotometrically at 526 nm. The reaction between clopidogrel hydrogen sulfate and permanganate in acid medium exhibits a 5:4 stoichiometry. The identified oxidation products, 4,5,6,7-tetrahydrothieno[3,2-c]pyridine, (2-chlorophenyl)oxoacetic acid, and formaldehyde as a byproduct, are different from those obtained by biological metabolism. The reaction is first-order in MnO4― and less than first-order in both the clopidogrel hydrogen sulfate and H+ ion concentrations. The active species of permanganate was found to be HMnO4. The oxidation reaction in acid medium was found to proceed through a permanganate―clopidogrel complex that decomposes slowly in a rate-determining step followed by other fast steps to give the products. The main products were identified by spot test and IR and GC-MS spectral studies. The reaction constants involved in different steps of the mechanism were calculated at different temperatures. The activation parameters with respect to the slow step of the mechanism were computed, and thermodynamic quantities were also determined. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573291

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Simulating the performance of a catalytic microsensor for quantifying ethanol in inert and reactive environments / Hari Nair in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10972-10981 Titre : Simulating the performance of a catalytic microsensor for quantifying ethanol in inert and reactive environments Type de document : texte imprimé Auteurs : Hari Nair, Auteur ; Joseph E. Gatt, Auteur ; Rong Zhang, Auteur Année de publication : 2011 Article en page(s) : pp. 10972-10981 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Microsensor Catalytic reaction Résumé : The selective detection of hydrocarbons using portable microsensors remains a fundamental challenge in materials and microsystem development. This work describes the functioning of a proposed thermoelectric catalytic microsensor using a metal oxide catalyst and a selective partial oxidation reaction for ethanol detection in complex hydrocarbon mixtures containing hundreds ofhydrocarbons present in gasoline fuel. In the case where the competing hydrocarbons are nonreactive, 100% selectivity toward ethanol would be obtained and quantification is straightforward—this case is simulated using ethanol in an inert atmosphere. As an example of detection and quantification in the presence of other reactants, a two step detection sequence is presented for the identification of ethanol concentrations in a hydrocarbon mixture containing methanol. Two-dimensional COMSOL simulations are performed, using known kinetic parameters for ethanol and methanol partial oxidation to acetaldehyde and formaldehyde, respectively, over the chosen iron molybdate catalyst at 353 K, to characterize temperature and concentration profiles within the microelectric thermal sensor/catalytic microreactor, which in turn can be used as a database for a genetic search algorithm used in a real device under unknown environments. Additionally, the knowledge of expected temperature profiles allows one to optimize design parameters for the device to maximize sensor sensitivity and performance for ethanol/methanol verification in complex mixtures. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573292 [article] Simulating the performance of a catalytic microsensor for quantifying ethanol in inert and reactive environments [texte imprimé] / Hari Nair, Auteur ; Joseph E. Gatt, Auteur ; Rong Zhang, Auteur . - 2011 . - pp. 10972-10981. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10972-10981 Mots-clés : Microsensor Catalytic reaction Résumé : The selective detection of hydrocarbons using portable microsensors remains a fundamental challenge in materials and microsystem development. This work describes the functioning of a proposed thermoelectric catalytic microsensor using a metal oxide catalyst and a selective partial oxidation reaction for ethanol detection in complex hydrocarbon mixtures containing hundreds ofhydrocarbons present in gasoline fuel. In the case where the competing hydrocarbons are nonreactive, 100% selectivity toward ethanol would be obtained and quantification is straightforward—this case is simulated using ethanol in an inert atmosphere. As an example of detection and quantification in the presence of other reactants, a two step detection sequence is presented for the identification of ethanol concentrations in a hydrocarbon mixture containing methanol. Two-dimensional COMSOL simulations are performed, using known kinetic parameters for ethanol and methanol partial oxidation to acetaldehyde and formaldehyde, respectively, over the chosen iron molybdate catalyst at 353 K, to characterize temperature and concentration profiles within the microelectric thermal sensor/catalytic microreactor, which in turn can be used as a database for a genetic search algorithm used in a real device under unknown environments. Additionally, the knowledge of expected temperature profiles allows one to optimize design parameters for the device to maximize sensor sensitivity and performance for ethanol/methanol verification in complex mixtures. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573292

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Mechanism of molten - salt - controlled thermite reactions / Khachatur V. Manukyan in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10982-10988 Titre : Mechanism of molten - salt - controlled thermite reactions Type de document : texte imprimé Auteurs : Khachatur V. Manukyan, Auteur ; Khachatur G. Kirakosyan, Auteur ; Yeva G. Grigoryan, Auteur Année de publication : 2011 Article en page(s) : pp. 10982-10988 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Molten salt Résumé : The present work was undertaken to study the chemistry and phase formation mechanism in the salt-controlled MoO3 + Mg + NaCl thermite reaction. It was found that the structure and phase formation mechanism in the studied system primarily depend on the salt content in the initial mixtures. In salt-poor mixtures, nucleation of product particles takes place in the molten magnesium, whereas under salt-rich conditions, products are mainly formed in molten sodium chloride. Analyses of combustion temperature profiles and product microstructures and thermal analysis of reacting mixtures suggested that the molybdenum oxide reacts with the salt at early stages of the process. The formed intermediate molybdenum oxychloride and sodium molybdate then react with magnesium, yielding Mo, MgO, and NaCl phases. The low value of the activation energy (50 kJ/mol) of the combustion process also suggests that gaseous (liquid) intermediates play an important role in the phase formation mechanism. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573293 [article] Mechanism of molten - salt - controlled thermite reactions [texte imprimé] / Khachatur V. Manukyan, Auteur ; Khachatur G. Kirakosyan, Auteur ; Yeva G. Grigoryan, Auteur . - 2011 . - pp. 10982-10988. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10982-10988 Mots-clés : Molten salt Résumé : The present work was undertaken to study the chemistry and phase formation mechanism in the salt-controlled MoO3 + Mg + NaCl thermite reaction. It was found that the structure and phase formation mechanism in the studied system primarily depend on the salt content in the initial mixtures. In salt-poor mixtures, nucleation of product particles takes place in the molten magnesium, whereas under salt-rich conditions, products are mainly formed in molten sodium chloride. Analyses of combustion temperature profiles and product microstructures and thermal analysis of reacting mixtures suggested that the molybdenum oxide reacts with the salt at early stages of the process. The formed intermediate molybdenum oxychloride and sodium molybdate then react with magnesium, yielding Mo, MgO, and NaCl phases. The low value of the activation energy (50 kJ/mol) of the combustion process also suggests that gaseous (liquid) intermediates play an important role in the phase formation mechanism. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573293

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Performance and kinetics of a solid amine sorbent for carbon dioxide removal / Esmail R. Monazam in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10989–10995 Titre : Performance and kinetics of a solid amine sorbent for carbon dioxide removal Type de document : texte imprimé Auteurs : Esmail R. Monazam, Auteur ; Lawrence J. Shadle, Auteur ; Ranjani Siriwardane, Auteur Année de publication : 2011 Article en page(s) : pp. 10989–10995 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Kinetics Solid amine sorbent Résumé : The kinetics of the reaction between CO2 and amine/bentonite particle were estimated over the range of 303–363 K from adsorption data obtained by TGA. The weight percent of amine, reaction temperature, and particle diameter were considered as experimental variables. The sorbent maximum or equilibrium CO2 uptake was found to be linearly dependent on temperature; decreasing with increasing temperature when tested in a 100% CO2 environment. Reactivity data for amine/bentonite particle with CO2 were presented and discussed. On the basis of the isothermal TGA results, reaction order and the value of activation energy have been obtained. These kinetic parameters are similar to those reported for MEA and DEA in aqueous solutions. The kinetic model was used to predict the fractional conversion at different temperature exhibiting good agreement with experimental data. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201214q [article] Performance and kinetics of a solid amine sorbent for carbon dioxide removal [texte imprimé] / Esmail R. Monazam, Auteur ; Lawrence J. Shadle, Auteur ; Ranjani Siriwardane, Auteur . - 2011 . - pp. 10989–10995. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10989–10995 Mots-clés : Kinetics Solid amine sorbent Résumé : The kinetics of the reaction between CO2 and amine/bentonite particle were estimated over the range of 303–363 K from adsorption data obtained by TGA. The weight percent of amine, reaction temperature, and particle diameter were considered as experimental variables. The sorbent maximum or equilibrium CO2 uptake was found to be linearly dependent on temperature; decreasing with increasing temperature when tested in a 100% CO2 environment. Reactivity data for amine/bentonite particle with CO2 were presented and discussed. On the basis of the isothermal TGA results, reaction order and the value of activation energy have been obtained. These kinetic parameters are similar to those reported for MEA and DEA in aqueous solutions. The kinetic model was used to predict the fractional conversion at different temperature exhibiting good agreement with experimental data. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201214q

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Pulsed electric field pretreatment of switchgrass and wood chip species for biofuel production / Parveen Kumar in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10996-11001 Titre : Pulsed electric field pretreatment of switchgrass and wood chip species for biofuel production Type de document : texte imprimé Auteurs : Parveen Kumar, Auteur ; Diane M. Barrett, Auteur ; Michael J. Delwiche, Auteur Année de publication : 2011 Article en page(s) : pp. 10996-11001 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Production Wood chip Pretreatment Electric field Résumé : In biomass-to-fuel conversion, the biomass needs to be pretreated so that the cellulose in the plant fibers is exposed for conversion of the lignocellulosic biomass to fuels and chemicals. In this study, we report on the design and fabrication of a pulsed electric field (PEF) system for pretreatment of wood chip and switchgrass samples. Wood chip samples were given 1000 and 2000 pulses of 1 kV/cm, and 1000, 2000, and 5000 pulses of 10 kV/cm with a pulse width of 100 μs and frequency of 3 Hz. Switchgrass samples were given 1000, 2000, and 5000 pulses of 2.5, 5, 8, and 10 kV/cm with a pulse width of 100 μs and frequency of 3 Hz. The uptake of a colored dye neutral red C15H17ClN4 (MW ~ 289) in untreated and PEF treated samples was studied to quantify the effect ofPEF treatment on diffusion in plant tissues. Wood chip samples treated at 1 kV/cm showed a dye uptake similar to that of untreated wood chip samples. The switchgrass samples were resistant to change in the structure at low field strengths up to 5 kV/cm. The samples treated at field strengths of ≥8 kV/cm showed faster and larger neutral red uptake, suggesting an increase in the porosity of switchgrass samples. Similar phenomena were observed for wood chip samples treated at 10 kV/cm. Permeabilization of switchgrass and wood chip species using PEF can be utilized to improve cellulose hydrolysis to sugar and hence efficient fuel conversion. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573295 [article] Pulsed electric field pretreatment of switchgrass and wood chip species for biofuel production [texte imprimé] / Parveen Kumar, Auteur ; Diane M. Barrett, Auteur ; Michael J. Delwiche, Auteur . - 2011 . - pp. 10996-11001. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 10996-11001 Mots-clés : Production Wood chip Pretreatment Electric field Résumé : In biomass-to-fuel conversion, the biomass needs to be pretreated so that the cellulose in the plant fibers is exposed for conversion of the lignocellulosic biomass to fuels and chemicals. In this study, we report on the design and fabrication of a pulsed electric field (PEF) system for pretreatment of wood chip and switchgrass samples. Wood chip samples were given 1000 and 2000 pulses of 1 kV/cm, and 1000, 2000, and 5000 pulses of 10 kV/cm with a pulse width of 100 μs and frequency of 3 Hz. Switchgrass samples were given 1000, 2000, and 5000 pulses of 2.5, 5, 8, and 10 kV/cm with a pulse width of 100 μs and frequency of 3 Hz. The uptake of a colored dye neutral red C15H17ClN4 (MW ~ 289) in untreated and PEF treated samples was studied to quantify the effect ofPEF treatment on diffusion in plant tissues. Wood chip samples treated at 1 kV/cm showed a dye uptake similar to that of untreated wood chip samples. The switchgrass samples were resistant to change in the structure at low field strengths up to 5 kV/cm. The samples treated at field strengths of ≥8 kV/cm showed faster and larger neutral red uptake, suggesting an increase in the porosity of switchgrass samples. Similar phenomena were observed for wood chip samples treated at 10 kV/cm. Permeabilization of switchgrass and wood chip species using PEF can be utilized to improve cellulose hydrolysis to sugar and hence efficient fuel conversion. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573295

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Fischer – tropsch synthesis using H2 / CO / CO2 syngas mixtures over an iron catalyst / Yali Yao in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11002-11012 Titre : Fischer – tropsch synthesis using H2 / CO / CO2 syngas mixtures over an iron catalyst Type de document : texte imprimé Auteurs : Yali Yao, Auteur ; Xinying Liu, Auteur ; Diane Hildebrandt, Auteur Année de publication : 2011 Article en page(s) : pp. 11002-11012 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Catalyst Synthesis gas Carbon dioxide Fischer Tropsch synthesis Résumé : A series of low-temperature Fischer―Tropsch synthesis (FTS) experiments using a wide range of H2/CO/CO2 syngas mixtures have been performed to provide further insight into the effect of the CO2 on an iron-based catalyst during FTS. In comparison with CO hydrogenation, the reactivity for CO2 hydrogenation was lower and produced more CH4-rich short chain paraffins. Based on the correlation between the experimental results and the thermodynamic equilibrium calculations for the water gas shift (WGS) reaction, although the WGS reaction is far from the thermodynamic equilibrium under low-temperature FTS conditions, its equilibrium constraints determine the pathways and in particular whether CO is converted to CO2 or CO2 to CO. It is possible for CO2 to convert to hydrocarbons only when the composition of co-fed CO2 has a value higher than that set by the equilibrium constraints. A remarkable feature of our experimental results was that when the FTS system was not consuming but forming CO2, the reaction rates of both the FT and the WGS reactions were independent of the partial pressures of CO and CO2. Furthermore, with a decrease in the ratio of CO2/(CO+CO2) in the feed gas, it was observed that the hydrocarbon product formation rate reached a maximum and then maintained this value, even at a very high concentration of CO2 in the H2/CO/CO2 feed mixture. These results could justify the inclusion of CO2 in the syngas feed to the iron-based catalyst FTS processes. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573296 [article] Fischer – tropsch synthesis using H2 / CO / CO2 syngas mixtures over an iron catalyst [texte imprimé] / Yali Yao, Auteur ; Xinying Liu, Auteur ; Diane Hildebrandt, Auteur . - 2011 . - pp. 11002-11012. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11002-11012 Mots-clés : Catalyst Synthesis gas Carbon dioxide Fischer Tropsch synthesis Résumé : A series of low-temperature Fischer―Tropsch synthesis (FTS) experiments using a wide range of H2/CO/CO2 syngas mixtures have been performed to provide further insight into the effect of the CO2 on an iron-based catalyst during FTS. In comparison with CO hydrogenation, the reactivity for CO2 hydrogenation was lower and produced more CH4-rich short chain paraffins. Based on the correlation between the experimental results and the thermodynamic equilibrium calculations for the water gas shift (WGS) reaction, although the WGS reaction is far from the thermodynamic equilibrium under low-temperature FTS conditions, its equilibrium constraints determine the pathways and in particular whether CO is converted to CO2 or CO2 to CO. It is possible for CO2 to convert to hydrocarbons only when the composition of co-fed CO2 has a value higher than that set by the equilibrium constraints. A remarkable feature of our experimental results was that when the FTS system was not consuming but forming CO2, the reaction rates of both the FT and the WGS reactions were independent of the partial pressures of CO and CO2. Furthermore, with a decrease in the ratio of CO2/(CO+CO2) in the feed gas, it was observed that the hydrocarbon product formation rate reached a maximum and then maintained this value, even at a very high concentration of CO2 in the H2/CO/CO2 feed mixture. These results could justify the inclusion of CO2 in the syngas feed to the iron-based catalyst FTS processes. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573296

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Microreactor system for high - pressure continuous flow homogeneous catalysis measurements / Jaroslav Keybl in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11013–11022 Titre : Microreactor system for high - pressure continuous flow homogeneous catalysis measurements Type de document : texte imprimé Auteurs : Jaroslav Keybl, Auteur ; Klavs F. Jensen, Auteur Année de publication : 2011 Article en page(s) : pp. 11013–11022 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Homogeneous catalyst kinetic Résumé : A high-pressure gas–liquid system is presented for determining homogeneous catalyst kinetic parameters. Microreactors enable segmented flow with very predictable gas–liquid contacting, reducing the effects of mass transfer as well as facilitating isothermal operation. The system is capable of studying homogeneous catalysis at high temperature and pressure ( DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie200936b [article] Microreactor system for high - pressure continuous flow homogeneous catalysis measurements [texte imprimé] / Jaroslav Keybl, Auteur ; Klavs F. Jensen, Auteur . - 2011 . - pp. 11013–11022. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11013–11022 Mots-clés : Homogeneous catalyst kinetic Résumé : A high-pressure gas–liquid system is presented for determining homogeneous catalyst kinetic parameters. Microreactors enable segmented flow with very predictable gas–liquid contacting, reducing the effects of mass transfer as well as facilitating isothermal operation. The system is capable of studying homogeneous catalysis at high temperature and pressure ( DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie200936b

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Mechanism of catalytic oxidation of NO over Mn - Co - Ce - Ox catalysts with the aid of nonthermal plasma at low temperature / Kai Li in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11023-11028 Titre : Mechanism of catalytic oxidation of NO over Mn - Co - Ce - Ox catalysts with the aid of nonthermal plasma at low temperature Type de document : texte imprimé Auteurs : Kai Li, Auteur ; Xiaolong Tang, Auteur ; Honghong Yi, Auteur Année de publication : 2011 Article en page(s) : pp. 11023-11028 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Low temperature Non thermal plasma Catalyst Oxidation Catalytic reaction Résumé : NO catalytic oxidation performances have been investigated on a Mn—Co—Ce—Ox catalyst by using nonthermal plasma (NTP) reactor: the "PRFC" reactor. In the PRFC system, the plasma reactor was followed by the catalyst. The results showed that the NO catalytic oxidation of the Mn―Co―Ce―Ox catalyst was significantly enhanced by the nonthermal plasma in the PRFC system at the temperature range of 50―250°C. The oxidation capability of the catalyst was improved with the increase of the input energy density in the PRFC system. It was also found that the activity was suppressed when SO2 was present in the reaction mixture, whereas the catalytic oxidation ability was obviously enhanced under the NTP-assist, because NTP system is conducive to synchronous SO2 removal. The antipoisoning performance and NO catalytic oxidation capacity of this mechanism are superior to those of others reported in the literature. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573298 [article] Mechanism of catalytic oxidation of NO over Mn - Co - Ce - Ox catalysts with the aid of nonthermal plasma at low temperature [texte imprimé] / Kai Li, Auteur ; Xiaolong Tang, Auteur ; Honghong Yi, Auteur . - 2011 . - pp. 11023-11028. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11023-11028 Mots-clés : Low temperature Non thermal plasma Catalyst Oxidation Catalytic reaction Résumé : NO catalytic oxidation performances have been investigated on a Mn—Co—Ce—Ox catalyst by using nonthermal plasma (NTP) reactor: the "PRFC" reactor. In the PRFC system, the plasma reactor was followed by the catalyst. The results showed that the NO catalytic oxidation of the Mn―Co―Ce―Ox catalyst was significantly enhanced by the nonthermal plasma in the PRFC system at the temperature range of 50―250°C. The oxidation capability of the catalyst was improved with the increase of the input energy density in the PRFC system. It was also found that the activity was suppressed when SO2 was present in the reaction mixture, whereas the catalytic oxidation ability was obviously enhanced under the NTP-assist, because NTP system is conducive to synchronous SO2 removal. The antipoisoning performance and NO catalytic oxidation capacity of this mechanism are superior to those of others reported in the literature. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573298

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Oxidation of 1,1,1 - trichloroethane stimulated by thermally activated persulfate / Xiaogang Gu in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11029–11036 Titre : Oxidation of 1,1,1 - trichloroethane stimulated by thermally activated persulfate Type de document : texte imprimé Auteurs : Xiaogang Gu, Auteur ; Shuguang Lu, Auteur ; Lin Li, Auteur Année de publication : 2011 Article en page(s) : pp. 11029–11036 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Oxidation Trichloroethane Résumé : In this study, thermally activated persulfate (PS) to stimulate the oxidation of 1,1,1-trichloroethane (TCA) in groundwater remediation was investigated. The effects of various factors including temperature; initial TCA concentration; PS/TCA molar ratio; solution pH; and common constituents in groundwater such as Cl–, HCO3–, SO42–, and NO3– anions and humic acid (HA) were evaluated. The experimental results showed that TCA can be completely oxidized in 2 h at 50 °C with a PS/TCA molar ratio of 100/1, indicating the effectiveness of thermally activated PS oxidation for TCA removal. TCA oxidation was fitted with a pseudo-first-order kinetic model, and the rate constant was found to increase with increasing temperature and PS/TCA molar ratio, but to decrease with increasing initial TCA concentration. In addition, acidic conditions were favorable to TCA removal and elevating, the initial solution pH value (from pH 3 to 11) decreased the TCA degradation rate. Anions Cl– and HCO3– had negative effects on TCA removal, whereas the effects of both SO42– and NO3– were negligible. With 5–10 mg L–1 concentrations of HA in solution, an inhibitive effect was observed, indicating that dissolved organic matter consumed some of the oxidant. However, the anticipated effective thermally activated PS oxidation of TCA in groundwater from a real contaminated site was not achieved because of the complex solution matrix. On the other hand, the TCA degradation mechanism derived from GC/MS analytical results confirmed formic acid, dichloromethane, and trichloromethane as the primary intermediates, and therefore, two TCA decomposition pathways were proposed. In conclusion, thermally activated PS oxidation is a highly promising technique for TCA-contaminated groundwater remediation, but more complex constituents in in situ groundwater should be carefully considered for its practical application. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201059x [article] Oxidation of 1,1,1 - trichloroethane stimulated by thermally activated persulfate [texte imprimé] / Xiaogang Gu, Auteur ; Shuguang Lu, Auteur ; Lin Li, Auteur . - 2011 . - pp. 11029–11036. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11029–11036 Mots-clés : Oxidation Trichloroethane Résumé : In this study, thermally activated persulfate (PS) to stimulate the oxidation of 1,1,1-trichloroethane (TCA) in groundwater remediation was investigated. The effects of various factors including temperature; initial TCA concentration; PS/TCA molar ratio; solution pH; and common constituents in groundwater such as Cl–, HCO3–, SO42–, and NO3– anions and humic acid (HA) were evaluated. The experimental results showed that TCA can be completely oxidized in 2 h at 50 °C with a PS/TCA molar ratio of 100/1, indicating the effectiveness of thermally activated PS oxidation for TCA removal. TCA oxidation was fitted with a pseudo-first-order kinetic model, and the rate constant was found to increase with increasing temperature and PS/TCA molar ratio, but to decrease with increasing initial TCA concentration. In addition, acidic conditions were favorable to TCA removal and elevating, the initial solution pH value (from pH 3 to 11) decreased the TCA degradation rate. Anions Cl– and HCO3– had negative effects on TCA removal, whereas the effects of both SO42– and NO3– were negligible. With 5–10 mg L–1 concentrations of HA in solution, an inhibitive effect was observed, indicating that dissolved organic matter consumed some of the oxidant. However, the anticipated effective thermally activated PS oxidation of TCA in groundwater from a real contaminated site was not achieved because of the complex solution matrix. On the other hand, the TCA degradation mechanism derived from GC/MS analytical results confirmed formic acid, dichloromethane, and trichloromethane as the primary intermediates, and therefore, two TCA decomposition pathways were proposed. In conclusion, thermally activated PS oxidation is a highly promising technique for TCA-contaminated groundwater remediation, but more complex constituents in in situ groundwater should be carefully considered for its practical application. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201059x

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Nanocrystalline la1 – xK x FeO3 (x = 0 – 0.4) oxides for catalytic removal of soot from practical diesel exhaust emission / Xiaoxiao Meng in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11037-11042 Titre : Nanocrystalline la1 – xK x FeO3 (x = 0 – 0.4) oxides for catalytic removal of soot from practical diesel exhaust emission Type de document : texte imprimé Auteurs : Xiaoxiao Meng, Auteur ; Fenglin He, Auteur ; Xiangqian Shen, Auteur Année de publication : 2011 Article en page(s) : pp. 11037-11042 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Nanocrystalline Résumé : The nanocrystalline, porous, perovskite La1–xK x FeO3 (x = 0–0.4) powders and La0.8K0.2FeO3-coated honeycomb ceramic device were prepared by the citrate-gel process and the citrate-gel assisted dip-coating method at a low calcination temperature of 600̊C for 6 h, respectively. All the perovskite powders can effectively catalyze the soot combustion and among them the La0.8K0.2FeO3 catalyst exhibits the highest catalytic activity for the soot combustion, with a lowest T50 (350 °C) owing to a high specific surface area and large pore sizes. This optimized La0.8K0.2FeO3 catalyst is proved by the bench test for the practical exhaust gas emission and the La0.8K0.2FeO3-coated honeycomb ceramic device has a effective capture of particulate matter from the exhaust emission at a low temperature and starts to efficiently catalyze oxidization reactions of the particulate matter at the temperature around 245 °C (T 20), leads the smoke opacity near zero at the operational temperature of 400 °C. DEWEY : 660 ISSN : 0888-5885 En ligne : http://journals1.scholarsportal.info/details.xqy?uri=/08885885/v50i0019/11037_nl [...] [article] Nanocrystalline la1 – xK x FeO3 (x = 0 – 0.4) oxides for catalytic removal of soot from practical diesel exhaust emission [texte imprimé] / Xiaoxiao Meng, Auteur ; Fenglin He, Auteur ; Xiangqian Shen, Auteur . - 2011 . - pp. 11037-11042. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11037-11042 Mots-clés : Nanocrystalline Résumé : The nanocrystalline, porous, perovskite La1–xK x FeO3 (x = 0–0.4) powders and La0.8K0.2FeO3-coated honeycomb ceramic device were prepared by the citrate-gel process and the citrate-gel assisted dip-coating method at a low calcination temperature of 600̊C for 6 h, respectively. All the perovskite powders can effectively catalyze the soot combustion and among them the La0.8K0.2FeO3 catalyst exhibits the highest catalytic activity for the soot combustion, with a lowest T50 (350 °C) owing to a high specific surface area and large pore sizes. This optimized La0.8K0.2FeO3 catalyst is proved by the bench test for the practical exhaust gas emission and the La0.8K0.2FeO3-coated honeycomb ceramic device has a effective capture of particulate matter from the exhaust emission at a low temperature and starts to efficiently catalyze oxidization reactions of the particulate matter at the temperature around 245 °C (T 20), leads the smoke opacity near zero at the operational temperature of 400 °C. DEWEY : 660 ISSN : 0888-5885 En ligne : http://journals1.scholarsportal.info/details.xqy?uri=/08885885/v50i0019/11037_nl [...]

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Ni2P catalysts supported on titania - modified alumina for the hydrodesulfurization of dibenzothiophene / Tao Chen in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11043–11048 Titre : Ni2P catalysts supported on titania - modified alumina for the hydrodesulfurization of dibenzothiophene Type de document : texte imprimé Auteurs : Tao Chen, Auteur ; Bolun Yang, Auteur ; Shasha Li, Auteur Année de publication : 2011 Article en page(s) : pp. 11043–11048 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Catalysts Résumé : Nickel phosphide catalysts supported on the TiO2–Al2O3 composite oxide were successfully prepared by impregnation of nickel phosphate precursors followed by temperature-programmed reduction. The catalysts were characterized by X-ray diffraction, thermogravimetric analysis, IR spectroscopy, N2 adsorption, and X-ray photoelectron spectroscopy. The catalytic activity was characterized in a fixed-bed reactor for hydrodesulfurization using a model liquid-feed dibenzothiophene, which contained 2000 mg/kg sulfur. Experimental results indicate that the TiO2–Al2O3 composite support effectively prevents the formation of aluminum phosphates due to the strong interaction between phosphorus and γ-Al2O3, and it also shows strong interactions with Ni and P species on the surface, which is the main reason for the enhancement in hydrodesulfurization activity and stability. Among the Ni2P/TiO2–Al2O3 samples tested, the catalyst at a Ni loading of 15 wt % showed the highest activity with a steady-state dibenzothiophene conversion of 99.9% at 613 K, 2.5 MPa, WHSV 3 h–1, and volume ratio of hydrogen/oil of 450. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201188v [article] Ni2P catalysts supported on titania - modified alumina for the hydrodesulfurization of dibenzothiophene [texte imprimé] / Tao Chen, Auteur ; Bolun Yang, Auteur ; Shasha Li, Auteur . - 2011 . - pp. 11043–11048. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11043–11048 Mots-clés : Catalysts Résumé : Nickel phosphide catalysts supported on the TiO2–Al2O3 composite oxide were successfully prepared by impregnation of nickel phosphate precursors followed by temperature-programmed reduction. The catalysts were characterized by X-ray diffraction, thermogravimetric analysis, IR spectroscopy, N2 adsorption, and X-ray photoelectron spectroscopy. The catalytic activity was characterized in a fixed-bed reactor for hydrodesulfurization using a model liquid-feed dibenzothiophene, which contained 2000 mg/kg sulfur. Experimental results indicate that the TiO2–Al2O3 composite support effectively prevents the formation of aluminum phosphates due to the strong interaction between phosphorus and γ-Al2O3, and it also shows strong interactions with Ni and P species on the surface, which is the main reason for the enhancement in hydrodesulfurization activity and stability. Among the Ni2P/TiO2–Al2O3 samples tested, the catalyst at a Ni loading of 15 wt % showed the highest activity with a steady-state dibenzothiophene conversion of 99.9% at 613 K, 2.5 MPa, WHSV 3 h–1, and volume ratio of hydrogen/oil of 450. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201188v

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Step changes and deactivation behavior in the continuous decarboxylation of stearic acid / Anders Theilgaard Madsen in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11049-11058 Titre : Step changes and deactivation behavior in the continuous decarboxylation of stearic acid Type de document : texte imprimé Auteurs : Anders Theilgaard Madsen, Auteur ; Bartosz Rozmysłowicz, Auteur ; Irina L. Simakova, Auteur Année de publication : 2011 Article en page(s) : pp. 11049-11058 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Deactivation Résumé : Deoxygenation of dilute and concentrated stearic acid over 2% Pd/C beads was performed in a continuous reactor at 300 °C and 20 bar pressure of Ar or 5% H2/Ar. Stable operation was obtained in 5% H2 atmosphere, with 95% conversion of 10 mol % dilute stearic acid in dodecane and 12% conversion of pure stearic acid. Deactivation took place in H2-deficient gas atmosphere, probably as a result of the formation of unsaturated products and coking in the pore system. Transient experiments with step changes were performed: 1 h was required for the step change to be visible in liquid sampling, whereas steady states were achieved after a total of 2.5―3 h. Postreaction analysis of the spent catalyst revealed that a deactivation profile was formed downward over the catalyst bed. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573302 [article] Step changes and deactivation behavior in the continuous decarboxylation of stearic acid [texte imprimé] / Anders Theilgaard Madsen, Auteur ; Bartosz Rozmysłowicz, Auteur ; Irina L. Simakova, Auteur . - 2011 . - pp. 11049-11058. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11049-11058 Mots-clés : Deactivation Résumé : Deoxygenation of dilute and concentrated stearic acid over 2% Pd/C beads was performed in a continuous reactor at 300 °C and 20 bar pressure of Ar or 5% H2/Ar. Stable operation was obtained in 5% H2 atmosphere, with 95% conversion of 10 mol % dilute stearic acid in dodecane and 12% conversion of pure stearic acid. Deactivation took place in H2-deficient gas atmosphere, probably as a result of the formation of unsaturated products and coking in the pore system. Transient experiments with step changes were performed: 1 h was required for the step change to be visible in liquid sampling, whereas steady states were achieved after a total of 2.5―3 h. Postreaction analysis of the spent catalyst revealed that a deactivation profile was formed downward over the catalyst bed. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573302

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Preparation and characterization of coal – water – alcohol slurry for efficient entrained - flow gasification / Dong-Wook Lee in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11059–11066 Titre : Preparation and characterization of coal – water – alcohol slurry for efficient entrained - flow gasification Type de document : texte imprimé Auteurs : Dong-Wook Lee, Auteur ; Se Joon Park, Auteur ; Jong-Soo Bae, Auteur Année de publication : 2011 Article en page(s) : pp. 11059–11066 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Gasification Résumé : For efficient coal–water slurry (CWS) gasification, it is very important to prepare CWS with higher carbon content and lower viscosity, which improve CWS heating values and atomization of CWS. However, the trade-off relationship between carbon content and viscosity gives rise to the difficulty in preparing CWS with high carbon content and low viscosity. Here we report the preparation of CWS with higher heating values and lower viscosity by employing various alcohol additives such as methanol, ethanol, 2-propanol, 1-pentanol, 1-hexanol, and 1-octanol with an alcohol content range of 1–10 wt %. In the case of methanol, ethanol, and 2-propanol with hydrophilic nature, as the added alcohol content was increased to 10 wt %, the slurry viscosity decreased from 2100 to 1089 cP, and heating values increased from 3613 to 4412 kcal/kg. However, in the case of 1-pentanol, 1-hexanol, and 1-octanol with lipophilic nature, the slurry viscosity significantly increased to the measurement limit (10 000 cP) of our viscometer with an increase in the added alcohol content, and the alcohol with a longer alkyl chain gave a much larger increase in viscosity. From the variation behavior of slurry viscosity by addition of various alcohol additives, it was considered that the viscosity variation behavior by addition of alcohols might be significantly associated with the hydrophilic nature of Shenhua coal. The swelling tests, energy dispersive X-ray spectroscopy (EDS), X-ray mapping, Fourier transform infrared (FTIR), and ash analyses of Shenhua coal were conducted to estimate the hydrophilicity of Shenhua coal. As a result, it was confirmed that Shenhua coal includes substantial hydrophilic groups such as hydroxyl groups, which are derived from silica and alumina well-distributed on the coal surface. In addition, water is considerably embedded in coal matrices after preparation of CWS. The water-swollen coal in CWS gives much higher hydrophilicity in comparison with coal before the preparation of CWS. Accordingly, when methanol, ethanol, and 2-propanol with hydrophilic nature are added into the as-prepared CWS, the coal content in CWS is diluted due to hydrophilic alcohols homogeneously mixed with water-swollen coal particles, which results in a falloff in slurry viscosity. By contrast, if 1-pentanol, 1-hexanol, and 1-octanol with relatively hydrophobic nature are added into CWS, water-swollen coal particles with high hydrophilicity agglomerate together to form larger clusters and the coal agglomerates are separated from an oil phase. The agglomeration and phase separation of coal particles are attributed to a drastic increase in slurry viscosity. Out of hydrophilic alcohols used in the present study, ethanol is expected to be the most promising candidate as an alcohol additive, because CO2 emission as a main drawback to entrained flow gasification of CWS can be considerably reduced by using crude bioethanol, which is produced from CO2-neutral biomass. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201320j [article] Preparation and characterization of coal – water – alcohol slurry for efficient entrained - flow gasification [texte imprimé] / Dong-Wook Lee, Auteur ; Se Joon Park, Auteur ; Jong-Soo Bae, Auteur . - 2011 . - pp. 11059–11066. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11059–11066 Mots-clés : Gasification Résumé : For efficient coal–water slurry (CWS) gasification, it is very important to prepare CWS with higher carbon content and lower viscosity, which improve CWS heating values and atomization of CWS. However, the trade-off relationship between carbon content and viscosity gives rise to the difficulty in preparing CWS with high carbon content and low viscosity. Here we report the preparation of CWS with higher heating values and lower viscosity by employing various alcohol additives such as methanol, ethanol, 2-propanol, 1-pentanol, 1-hexanol, and 1-octanol with an alcohol content range of 1–10 wt %. In the case of methanol, ethanol, and 2-propanol with hydrophilic nature, as the added alcohol content was increased to 10 wt %, the slurry viscosity decreased from 2100 to 1089 cP, and heating values increased from 3613 to 4412 kcal/kg. However, in the case of 1-pentanol, 1-hexanol, and 1-octanol with lipophilic nature, the slurry viscosity significantly increased to the measurement limit (10 000 cP) of our viscometer with an increase in the added alcohol content, and the alcohol with a longer alkyl chain gave a much larger increase in viscosity. From the variation behavior of slurry viscosity by addition of various alcohol additives, it was considered that the viscosity variation behavior by addition of alcohols might be significantly associated with the hydrophilic nature of Shenhua coal. The swelling tests, energy dispersive X-ray spectroscopy (EDS), X-ray mapping, Fourier transform infrared (FTIR), and ash analyses of Shenhua coal were conducted to estimate the hydrophilicity of Shenhua coal. As a result, it was confirmed that Shenhua coal includes substantial hydrophilic groups such as hydroxyl groups, which are derived from silica and alumina well-distributed on the coal surface. In addition, water is considerably embedded in coal matrices after preparation of CWS. The water-swollen coal in CWS gives much higher hydrophilicity in comparison with coal before the preparation of CWS. Accordingly, when methanol, ethanol, and 2-propanol with hydrophilic nature are added into the as-prepared CWS, the coal content in CWS is diluted due to hydrophilic alcohols homogeneously mixed with water-swollen coal particles, which results in a falloff in slurry viscosity. By contrast, if 1-pentanol, 1-hexanol, and 1-octanol with relatively hydrophobic nature are added into CWS, water-swollen coal particles with high hydrophilicity agglomerate together to form larger clusters and the coal agglomerates are separated from an oil phase. The agglomeration and phase separation of coal particles are attributed to a drastic increase in slurry viscosity. Out of hydrophilic alcohols used in the present study, ethanol is expected to be the most promising candidate as an alcohol additive, because CO2 emission as a main drawback to entrained flow gasification of CWS can be considerably reduced by using crude bioethanol, which is produced from CO2-neutral biomass. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201320j

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Carbon nanotubes coated on silica gels as a support of Cu – Co catalyst for the synthesis of higher alcohols from syngas / Wei Feng in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11067–11072 Titre : Carbon nanotubes coated on silica gels as a support of Cu – Co catalyst for the synthesis of higher alcohols from syngas Type de document : texte imprimé Auteurs : Wei Feng, Auteur ; Qingwei Wang, Auteur ; Biao Jiang, Auteur Année de publication : 2011 Article en page(s) : pp. 11067–11072 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Carbon nanotubes Catalyst Résumé : This work demonstrates a new approach to preparing Cu–Co-based catalysts for higher alcohols synthesis from syngas. Oxidized multiwalled carbon nanotubes (MWNTs) were adsorbed onto silica gels, and MWNT- silica gels were used as the support of a Cu–Co-based catalyst. Pyrogallol was used in preparing the catalyst. It has been found that the carbon nanotubes in the support favor the distribution and interaction of Cu and Co species; using pyrogallol in preparing the catalyst improves the distribution of Cu and Co species and promotes the interaction between the species. As a result, the catalyst can decrease the methanol selectivity from 43.0% to 26.8% and increase the ethanol selectivity from 33.1% to 43.5%, in comparison to the catalyst with silica gels as the support. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2014907 [article] Carbon nanotubes coated on silica gels as a support of Cu – Co catalyst for the synthesis of higher alcohols from syngas [texte imprimé] / Wei Feng, Auteur ; Qingwei Wang, Auteur ; Biao Jiang, Auteur . - 2011 . - pp. 11067–11072. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11067–11072 Mots-clés : Carbon nanotubes Catalyst Résumé : This work demonstrates a new approach to preparing Cu–Co-based catalysts for higher alcohols synthesis from syngas. Oxidized multiwalled carbon nanotubes (MWNTs) were adsorbed onto silica gels, and MWNT- silica gels were used as the support of a Cu–Co-based catalyst. Pyrogallol was used in preparing the catalyst. It has been found that the carbon nanotubes in the support favor the distribution and interaction of Cu and Co species; using pyrogallol in preparing the catalyst improves the distribution of Cu and Co species and promotes the interaction between the species. As a result, the catalyst can decrease the methanol selectivity from 43.0% to 26.8% and increase the ethanol selectivity from 33.1% to 43.5%, in comparison to the catalyst with silica gels as the support. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2014907

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Transesterification of dimethyl carbonate with ethanol to form ethyl methyl carbonate and diethyl carbonate / Tobias Keller in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11073-11086 Titre : Transesterification of dimethyl carbonate with ethanol to form ethyl methyl carbonate and diethyl carbonate : a comprehensive study on chemical equilibrium and reaction kinetics Type de document : texte imprimé Auteurs : Tobias Keller, Auteur ; Johannes Holtbruegge, Auteur ; Alexander Niesbach, Auteur Année de publication : 2011 Article en page(s) : pp. 11073-11086 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Kinetics Chemical equilibrium Transesterification Résumé : This article studies the consecutive transesterification of dimethyl carbonate with ethanol to form ethyl methyl carbonate and diethyl carbonate. The chemical equilibrium and reaction kinetics of this system are investigated experimentally and theoretically. To enhance the reaction rate, the homogeneous catalyst sodium ethoxide was applied. Molar-based and activity-based chemical equilibrium constants were calculated from experimental results, and their temperature dependence was described using the van't Hoff equation. An activity-based kinetic model that considers the temperature dependence of the reaction rate constants with the Arrhenius equation was derived. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573305 [article] Transesterification of dimethyl carbonate with ethanol to form ethyl methyl carbonate and diethyl carbonate : a comprehensive study on chemical equilibrium and reaction kinetics [texte imprimé] / Tobias Keller, Auteur ; Johannes Holtbruegge, Auteur ; Alexander Niesbach, Auteur . - 2011 . - pp. 11073-11086. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11073-11086 Mots-clés : Kinetics Chemical equilibrium Transesterification Résumé : This article studies the consecutive transesterification of dimethyl carbonate with ethanol to form ethyl methyl carbonate and diethyl carbonate. The chemical equilibrium and reaction kinetics of this system are investigated experimentally and theoretically. To enhance the reaction rate, the homogeneous catalyst sodium ethoxide was applied. Molar-based and activity-based chemical equilibrium constants were calculated from experimental results, and their temperature dependence was described using the van't Hoff equation. An activity-based kinetic model that considers the temperature dependence of the reaction rate constants with the Arrhenius equation was derived. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573305

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Influence of mineral chemistry on electrokinetic and rheological behavior of aqueous muscovite dispersions / Ataollah Nosrati in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11087–11096 Titre : Influence of mineral chemistry on electrokinetic and rheological behavior of aqueous muscovite dispersions Type de document : texte imprimé Auteurs : Ataollah Nosrati, Auteur ; Jonas Addai-Mensah, Auteur ; William Skinner, Auteur Année de publication : 2011 Article en page(s) : pp. 11087–11096 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Mineral chemistry Electrokinetic rheological Résumé : The dispersion electrokinetic behavior and rheology of two mineralogically similar muscovites with subtle differences in their bulk chemistry (low-Fe versus high-Fe substitution) were investigated as functions of pH and temperature. At 25 °C, the zeta potentials of both samples were quite similar for dilute dispersions with a common isoelectric point (iep) at pH ≈ 2. For concentrated dispersions, the high-Fe-substituted particles displayed lower zeta potential and higher iep values than the low-Fe-substituted particles. The incongruent leaching of Fe(III), Al(III), Si(IV), and K+ ions from muscovite particles was facilitated by both higher Fe substitution and lower pH. Temperature elevation to 70 °C marginally enhanced the cations’ leaching rates but suppressed Si(IV) release. The yield stresses of the two dispersions were similar in the pH ranges of 4–9 and 1–9 at 25 and 70 °C, respectively, and notably characteristic of dispersed sols/weak gels. At 25 °C and pH DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie101548f#cor1 [article] Influence of mineral chemistry on electrokinetic and rheological behavior of aqueous muscovite dispersions [texte imprimé] / Ataollah Nosrati, Auteur ; Jonas Addai-Mensah, Auteur ; William Skinner, Auteur . - 2011 . - pp. 11087–11096. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11087–11096 Mots-clés : Mineral chemistry Electrokinetic rheological Résumé : The dispersion electrokinetic behavior and rheology of two mineralogically similar muscovites with subtle differences in their bulk chemistry (low-Fe versus high-Fe substitution) were investigated as functions of pH and temperature. At 25 °C, the zeta potentials of both samples were quite similar for dilute dispersions with a common isoelectric point (iep) at pH ≈ 2. For concentrated dispersions, the high-Fe-substituted particles displayed lower zeta potential and higher iep values than the low-Fe-substituted particles. The incongruent leaching of Fe(III), Al(III), Si(IV), and K+ ions from muscovite particles was facilitated by both higher Fe substitution and lower pH. Temperature elevation to 70 °C marginally enhanced the cations’ leaching rates but suppressed Si(IV) release. The yield stresses of the two dispersions were similar in the pH ranges of 4–9 and 1–9 at 25 and 70 °C, respectively, and notably characteristic of dispersed sols/weak gels. At 25 °C and pH DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie101548f#cor1

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Effects of material properties on segregation of binary and ternary powder mixtures in a small scale cylindrical silo / Niklas Engblom in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11097-11108 Titre : Effects of material properties on segregation of binary and ternary powder mixtures in a small scale cylindrical silo Type de document : texte imprimé Auteurs : Niklas Engblom, Auteur ; Henrik Saxén, Auteur ; Ron Zevenhoven, Auteur Année de publication : 2011 Article en page(s) : pp. 11097-11108 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Silo Powder Segregation Properties of materials Résumé : The segregation of binary and ternary particulate mixtures at filling and at discharge of a 0.4 m3 cylindrical silo has been investigated experimentally. Raw materials used in commercial construction products are utilized and include bulk solids with different particle size, solid density and shape. Mixtures with varying mass fractions, particle size ratio or size distribution, particle solid density ratio and flow properties (free-flowing to cohesive) are prepared. Discharge flow patterns are determined either visually or by using tracer particles. This work gives qualitative information on the influence of material properties on the embedding, (impact) fluidization and air-current segregation mechanisms, which are relevant for the handling of commercial dry mineral-based construction materials in silos of industrial scale. The results show that material properties have a significant effect on the distribution of the powder mixture at silo filling, while the material distribution at filling and the discharge flow pattern determine the composition at emptying. At filling, mixture composition (component mass fractions) determines the segregation pattern, that is, whether fines are accumulated in the center or at the silo walls. For the latter, segregation is aggravated by increasing the particle size ratio between coarse and fine component for a binary mixture or size distribution for a ternary mixture, or by reducing the particle solid density ratio between fine and coarse component significantly below unity. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573307 [article] Effects of material properties on segregation of binary and ternary powder mixtures in a small scale cylindrical silo [texte imprimé] / Niklas Engblom, Auteur ; Henrik Saxén, Auteur ; Ron Zevenhoven, Auteur . - 2011 . - pp. 11097-11108. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11097-11108 Mots-clés : Silo Powder Segregation Properties of materials Résumé : The segregation of binary and ternary particulate mixtures at filling and at discharge of a 0.4 m3 cylindrical silo has been investigated experimentally. Raw materials used in commercial construction products are utilized and include bulk solids with different particle size, solid density and shape. Mixtures with varying mass fractions, particle size ratio or size distribution, particle solid density ratio and flow properties (free-flowing to cohesive) are prepared. Discharge flow patterns are determined either visually or by using tracer particles. This work gives qualitative information on the influence of material properties on the embedding, (impact) fluidization and air-current segregation mechanisms, which are relevant for the handling of commercial dry mineral-based construction materials in silos of industrial scale. The results show that material properties have a significant effect on the distribution of the powder mixture at silo filling, while the material distribution at filling and the discharge flow pattern determine the composition at emptying. At filling, mixture composition (component mass fractions) determines the segregation pattern, that is, whether fines are accumulated in the center or at the silo walls. For the latter, segregation is aggravated by increasing the particle size ratio between coarse and fine component for a binary mixture or size distribution for a ternary mixture, or by reducing the particle solid density ratio between fine and coarse component significantly below unity. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573307

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Facile synthesis of poly (vinyl alcohol) / a - titanium phosphate nanocomposite with markedly enhanced properties / Chenlu Bao in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11109-11116 Titre : Facile synthesis of poly (vinyl alcohol) / a - titanium phosphate nanocomposite with markedly enhanced properties Type de document : texte imprimé Auteurs : Chenlu Bao, Auteur ; Yuqiang Guo, Auteur ; Lei Song, Auteur Année de publication : 2011 Article en page(s) : pp. 11109-11116 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Nanocomposite Résumé : Nanocomposites based on poly(vinyl alcohol) and a-titanium phosphate were prepared by the solvent-cast method. The a-titanium phosphate nanosheets were homogeneously dispersed in the poly(vinyl alcohol) matrix, and marked property enhancements were obtained. In thermogravimetric analysis, the maximum decomposition temperature of the nanocomposites was increased by 80 °C, and the value of maximum decomposition was reduced by 60%. The storage modulus and tensile strength were improved by 64% and 84%, respectively. According to microscale combustion calorimetry, the ignition temperature (89 °C) and the temperature for peak heat release rate (192 °C) were significantly increased, whereas the peak heat release rate was sharply reduced (79%). The property enhancements are mainly due to strong hydrogen bonds between the poly(vinyl alcohol) and a-titanium phosphate nanolayers, as well as the molecule-movement-restricting and physical-barrier effects due to the a-titanium phosphate nanolayers. In addition, the effects of the water content and α-titanium phosphate amount on the electrical conductivity of poly(vinyl alcohol) nanocomposites were investigated. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573308 [article] Facile synthesis of poly (vinyl alcohol) / a - titanium phosphate nanocomposite with markedly enhanced properties [texte imprimé] / Chenlu Bao, Auteur ; Yuqiang Guo, Auteur ; Lei Song, Auteur . - 2011 . - pp. 11109-11116. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11109-11116 Mots-clés : Nanocomposite Résumé : Nanocomposites based on poly(vinyl alcohol) and a-titanium phosphate were prepared by the solvent-cast method. The a-titanium phosphate nanosheets were homogeneously dispersed in the poly(vinyl alcohol) matrix, and marked property enhancements were obtained. In thermogravimetric analysis, the maximum decomposition temperature of the nanocomposites was increased by 80 °C, and the value of maximum decomposition was reduced by 60%. The storage modulus and tensile strength were improved by 64% and 84%, respectively. According to microscale combustion calorimetry, the ignition temperature (89 °C) and the temperature for peak heat release rate (192 °C) were significantly increased, whereas the peak heat release rate was sharply reduced (79%). The property enhancements are mainly due to strong hydrogen bonds between the poly(vinyl alcohol) and a-titanium phosphate nanolayers, as well as the molecule-movement-restricting and physical-barrier effects due to the a-titanium phosphate nanolayers. In addition, the effects of the water content and α-titanium phosphate amount on the electrical conductivity of poly(vinyl alcohol) nanocomposites were investigated. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573308

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Novel fluoropolymer blends for the fabrication of sprayable multifunctional superhydrophobic nanostructured composites / Thomas M. Schutzius in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11117-11123 Titre : Novel fluoropolymer blends for the fabrication of sprayable multifunctional superhydrophobic nanostructured composites Type de document : texte imprimé Auteurs : Thomas M. Schutzius, Auteur ; Ilker S. Bayer, Auteur ; Manish K. Tiwari, Auteur Année de publication : 2011 Article en page(s) : pp. 11117-11123 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Composite material Résumé : We report a highly efficient technique to form novel fluoropolymer blend dispersions containing poly(vinylidene fluoride) (PVDF) and a fluorinated acrylic copolymer using a cosolvent system comprising N-methyl-2-pyrrolidone (NMP), acetone, and water under pH control. We also show that certain surface-functionalized, high-aspect-ratio nanostructured materials, such as organoclay and carbon nanowhiskers (CNWs), can be easily dispersed in these fluoropolymer blends to fabricate durable and functional superhydrophobic composite coatings upon spray casting. Both clay and CNW superhydrophobic coatings also repel lower surface tension liquids, such as water-alcohol mixtures (∼40 mN/m). Repellency is characterized using droplet sessile contact angle and contact angle hysteresis. Both clay and CNW-based composite coatings display self-cleaning properties (low contact angle hysteresis) for both water and water—alcohol mixtures. Additionally, electrical conductivity measurement of CNW composite coatings demonstrates the ability to fabricate multifunctional superhydrophobic composites using these fluoropolymer dispersions. The nanoparticle concentration required in these composite coatings for water and water―alcohol repellency is compared with a previously reported PVDF-based coating system. Wettability is interpreted within the framework of the Wenzel and Cassie―Baxter wetting theories. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573309 [article] Novel fluoropolymer blends for the fabrication of sprayable multifunctional superhydrophobic nanostructured composites [texte imprimé] / Thomas M. Schutzius, Auteur ; Ilker S. Bayer, Auteur ; Manish K. Tiwari, Auteur . - 2011 . - pp. 11117-11123. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11117-11123 Mots-clés : Composite material Résumé : We report a highly efficient technique to form novel fluoropolymer blend dispersions containing poly(vinylidene fluoride) (PVDF) and a fluorinated acrylic copolymer using a cosolvent system comprising N-methyl-2-pyrrolidone (NMP), acetone, and water under pH control. We also show that certain surface-functionalized, high-aspect-ratio nanostructured materials, such as organoclay and carbon nanowhiskers (CNWs), can be easily dispersed in these fluoropolymer blends to fabricate durable and functional superhydrophobic composite coatings upon spray casting. Both clay and CNW superhydrophobic coatings also repel lower surface tension liquids, such as water-alcohol mixtures (∼40 mN/m). Repellency is characterized using droplet sessile contact angle and contact angle hysteresis. Both clay and CNW-based composite coatings display self-cleaning properties (low contact angle hysteresis) for both water and water—alcohol mixtures. Additionally, electrical conductivity measurement of CNW composite coatings demonstrates the ability to fabricate multifunctional superhydrophobic composites using these fluoropolymer dispersions. The nanoparticle concentration required in these composite coatings for water and water―alcohol repellency is compared with a previously reported PVDF-based coating system. Wettability is interpreted within the framework of the Wenzel and Cassie―Baxter wetting theories. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573309

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Mechanical properties of chemically treated sawdust - reinforced recycled polyethylene composites / Md. Nazrul Islam in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11124–11129 Titre : Mechanical properties of chemically treated sawdust - reinforced recycled polyethylene composites Type de document : texte imprimé Auteurs : Md. Nazrul Islam, Auteur ; Md. Sakinul Islam, Auteur Année de publication : 2011 Article en page(s) : pp. 11124–11129 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Mechanical properties composites Résumé : In the present work, cetyltrimethylammonium bromide (CTAB)-treated sawdust-reinforced recycled polyethylene (RPE) composites were prepared by injection molding method. The mechanical properties of RPE composites reinforced with CTAB-treated sawdust were evaluated and the results were compared with those of untreated ones. The tensile strength (TS) values of the CTAB-treated composites were found to be much higher than those of the untreated ones. The Young’s modulus (YM), flexural strength (FS), flexural modulus (FM), and hardness values were also found to be improved for the treated sawdust–RPE composites compared to those of the untreated ones. The tensile fracture surface morphological features of treated sawdust–RPE composites observed by scanning electron microscopy (SEM) revealed less microvoids and fiber agglomerates, indicating that better fiber–matrix interfacial adhesion has occurred upon treatment of the sawdust with CTAB. Water absorption (%) values were found to increase with increases in fiber content in the composite. However, treated sawdust–RPE composites showed lower water uptake capacity compared to those prepared from untreated sawdust. From the IR spectra of raw and treated sawdust together with water absorption behavior of the composite specimens, it appeared that surface treatment with CTAB significantly reduced the hydrophilic nature of sawdust, resulting in improved fiber–matrix interfacial adhesion. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201077k [article] Mechanical properties of chemically treated sawdust - reinforced recycled polyethylene composites [texte imprimé] / Md. Nazrul Islam, Auteur ; Md. Sakinul Islam, Auteur . - 2011 . - pp. 11124–11129. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11124–11129 Mots-clés : Mechanical properties composites Résumé : In the present work, cetyltrimethylammonium bromide (CTAB)-treated sawdust-reinforced recycled polyethylene (RPE) composites were prepared by injection molding method. The mechanical properties of RPE composites reinforced with CTAB-treated sawdust were evaluated and the results were compared with those of untreated ones. The tensile strength (TS) values of the CTAB-treated composites were found to be much higher than those of the untreated ones. The Young’s modulus (YM), flexural strength (FS), flexural modulus (FM), and hardness values were also found to be improved for the treated sawdust–RPE composites compared to those of the untreated ones. The tensile fracture surface morphological features of treated sawdust–RPE composites observed by scanning electron microscopy (SEM) revealed less microvoids and fiber agglomerates, indicating that better fiber–matrix interfacial adhesion has occurred upon treatment of the sawdust with CTAB. Water absorption (%) values were found to increase with increases in fiber content in the composite. However, treated sawdust–RPE composites showed lower water uptake capacity compared to those prepared from untreated sawdust. From the IR spectra of raw and treated sawdust together with water absorption behavior of the composite specimens, it appeared that surface treatment with CTAB significantly reduced the hydrophilic nature of sawdust, resulting in improved fiber–matrix interfacial adhesion. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201077k

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Hydrophobic thermoplastic starches modified with polyester - based polyurethane microparticles / Yamei Leng in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11130-11135 Titre : Hydrophobic thermoplastic starches modified with polyester - based polyurethane microparticles : effects of various diisocyanates Type de document : texte imprimé Auteurs : Yamei Leng, Auteur ; Yu Zhang, Auteur ; Xiaoxia Chen, Auteur Année de publication : 2011 Article en page(s) : pp. 11130-11135 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Microparticle Résumé : It is critical to prepare ductile and hydrophobic modified starch material in an effective and environmentally friendly way. In this work, polyurethane prepolymers (PUPs) with various isocyanates were synthesized and mixed reactively with thermoplastic starches (TPS) in an intensive mixer to prepare modified TPS. The effects of the isocyanates on the structure and properties of the modified TPS were then investigated by using scanning electron microscope (ESEM), tensile tester, and contact angle meter. Results showed that mechanical properties ofthe modified TPS were improved with the increase in hydrophobicity of the isocyanate. 4,4'-Methylenedi-p-phenyl diisocyanate (MDI) was hydrophobic, the NCO groups in PUPs were not easily consumed by water when modified starch was prepared, leading to a significantly increased reaction of the NCO groups with starch. As the amount of urethane bonds between starch and PUP increased, the compatibility between the two polymers was also improved, resulting in the improvement of tensile properties. Isocyanates played an important role in improving the compatibility between the starch and PUP and the properties of the modified TPS. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573311 [article] Hydrophobic thermoplastic starches modified with polyester - based polyurethane microparticles : effects of various diisocyanates [texte imprimé] / Yamei Leng, Auteur ; Yu Zhang, Auteur ; Xiaoxia Chen, Auteur . - 2011 . - pp. 11130-11135. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11130-11135 Mots-clés : Microparticle Résumé : It is critical to prepare ductile and hydrophobic modified starch material in an effective and environmentally friendly way. In this work, polyurethane prepolymers (PUPs) with various isocyanates were synthesized and mixed reactively with thermoplastic starches (TPS) in an intensive mixer to prepare modified TPS. The effects of the isocyanates on the structure and properties of the modified TPS were then investigated by using scanning electron microscope (ESEM), tensile tester, and contact angle meter. Results showed that mechanical properties ofthe modified TPS were improved with the increase in hydrophobicity of the isocyanate. 4,4'-Methylenedi-p-phenyl diisocyanate (MDI) was hydrophobic, the NCO groups in PUPs were not easily consumed by water when modified starch was prepared, leading to a significantly increased reaction of the NCO groups with starch. As the amount of urethane bonds between starch and PUP increased, the compatibility between the two polymers was also improved, resulting in the improvement of tensile properties. Isocyanates played an important role in improving the compatibility between the starch and PUP and the properties of the modified TPS. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573311

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Poly (L - lactic acid) metal organic framework composites. mass transport properties / Dhayalan Elangovan in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11136-11142 Titre : Poly (L - lactic acid) metal organic framework composites. mass transport properties Type de document : texte imprimé Auteurs : Dhayalan Elangovan, Auteur ; Udaykumar Nidoni, Auteur ; Isinay E. Yuzay, Auteur Année de publication : 2011 Article en page(s) : pp. 11136-11142 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Transport properties Mass transfer Composite material Résumé : Biodegradable multifunctional polymeric membranes based on poly(L-lactic acid), PLLA, and metal―organic framework compounds (MOFs) were developed. PLLA with and without the addition of 5 wt % MOF was melt compounded in a microextruder, and the solubility parameters, water sorption isotherm, and permeability coefficients to oxygen, carbon dioxide, water, ethyl acetate, hexane, and cyclohexane were determined. The sorption capacity ofthe PLLA―MOF composite films increased up to 2-fold at each relative humidity to which it was exposed when compared with the PLLA films. The sorption and desorption curves of the PLLA-MOF films show hysteresis. The presence of MOF in the composite films did not significantly modify the permeability coefficients of the PLLA-MOF films. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573312 [article] Poly (L - lactic acid) metal organic framework composites. mass transport properties [texte imprimé] / Dhayalan Elangovan, Auteur ; Udaykumar Nidoni, Auteur ; Isinay E. Yuzay, Auteur . - 2011 . - pp. 11136-11142. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11136-11142 Mots-clés : Transport properties Mass transfer Composite material Résumé : Biodegradable multifunctional polymeric membranes based on poly(L-lactic acid), PLLA, and metal―organic framework compounds (MOFs) were developed. PLLA with and without the addition of 5 wt % MOF was melt compounded in a microextruder, and the solubility parameters, water sorption isotherm, and permeability coefficients to oxygen, carbon dioxide, water, ethyl acetate, hexane, and cyclohexane were determined. The sorption capacity ofthe PLLA―MOF composite films increased up to 2-fold at each relative humidity to which it was exposed when compared with the PLLA films. The sorption and desorption curves of the PLLA-MOF films show hysteresis. The presence of MOF in the composite films did not significantly modify the permeability coefficients of the PLLA-MOF films. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573312

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Optimum design and analysis based on independent reaction amount for distillation column with side reactors / Lianghui Ding in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11143–11152 Titre : Optimum design and analysis based on independent reaction amount for distillation column with side reactors : production of benzyl chloride Type de document : texte imprimé Auteurs : Lianghui Ding, Auteur ; Jihai Tang, Auteur ; Mifen Cui, Auteur Année de publication : 2011 Article en page(s) : pp. 11143–11152 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Benzyl chloride Résumé : Distillation columns with side reactors (SRCs) can be effectively employed to improve selectivity by manipulating the composition profiles of reactants and products inside the reaction zone. However, for the complex interaction between reaction and separation, it is difficult to simulate and optimize a SRC process. An independent reaction amount is introduced in simulating the SRC process to decouple the reaction kinetics from the mathematic models. Based on the concept of independent reaction amount, a systematic design approach, employing the Powell method, is developed to seek the internal synergistic effects between reaction and separation. The proposed optimum design methodology is demonstrated in a case study of benzyl chloride production. The effects of the design parameters, such as the number of separation stages, the stages between each reactor and the number of reactors on the process performance, are well-investigated. In addition, the effect of vapor boilup rate on the reaction capability is studied. Results demonstrate that, for the given vapor boilup rate, insufficient separation leads to a poor system performance, while excessive stages or reactors will not be beneficial toward improving reaction capability. Besides, by increasing the vapor boilup rate, the system performance can be improved obviously. The optimum configuration and the optimum match between separation and reaction can be achieved through the design approach. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie102171r [article] Optimum design and analysis based on independent reaction amount for distillation column with side reactors : production of benzyl chloride [texte imprimé] / Lianghui Ding, Auteur ; Jihai Tang, Auteur ; Mifen Cui, Auteur . - 2011 . - pp. 11143–11152. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11143–11152 Mots-clés : Benzyl chloride Résumé : Distillation columns with side reactors (SRCs) can be effectively employed to improve selectivity by manipulating the composition profiles of reactants and products inside the reaction zone. However, for the complex interaction between reaction and separation, it is difficult to simulate and optimize a SRC process. An independent reaction amount is introduced in simulating the SRC process to decouple the reaction kinetics from the mathematic models. Based on the concept of independent reaction amount, a systematic design approach, employing the Powell method, is developed to seek the internal synergistic effects between reaction and separation. The proposed optimum design methodology is demonstrated in a case study of benzyl chloride production. The effects of the design parameters, such as the number of separation stages, the stages between each reactor and the number of reactors on the process performance, are well-investigated. In addition, the effect of vapor boilup rate on the reaction capability is studied. Results demonstrate that, for the given vapor boilup rate, insufficient separation leads to a poor system performance, while excessive stages or reactors will not be beneficial toward improving reaction capability. Besides, by increasing the vapor boilup rate, the system performance can be improved obviously. The optimum configuration and the optimum match between separation and reaction can be achieved through the design approach. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie102171r

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Hammerstein modeling with structure identification for multi - input multi - output nonlinear industrial processes / Chenkun Qi in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11153-11169 Titre : Hammerstein modeling with structure identification for multi - input multi - output nonlinear industrial processes Type de document : texte imprimé Auteurs : Chenkun Qi, Auteur ; Han-Xiong Li, Auteur ; Xianchao Zhao, Auteur Année de publication : 2011 Article en page(s) : pp. 11153-11169 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Modeling Résumé : Hammerstein modeling with structure identification for multi-input multi-output (MIMO) nonlinear industrial processes is investigated in this study. The structure identification of the Hammerstein model is very challenging because the model terms are vectors, and some model terms are inputs of other model terms (i.e., model term coupling). An efficient model structure selection algorithm for the Hammerstein model is proposed with the multi-output locally regularized orthogonal least-squares (LROLS), A-optimality design, and a vector model term selection. To enhance the well-posedness of the regressors, estimation robustness, and model adequacy, the A-optimality criterion is integrated into the model error reduction criterion in the multi-output LROLS. To handle the vector model term coupling problem, a vector model term selection rule is synthesized into the multi-output LROLS. After the model structure is determined, to improve the robustness of the parameter estimation, the regularized least-squares method with the singular value decomposition (RLS-SVD) is used. The simple or sparse Hammerstein model structure can be determined from the noisy process data. The structure identification algorithm only includes a few user-designed parameters which are easy to select. Therefore, the ability of automatic construction of the Hammerstein model is enhanced. Three application examples are used to illustrate the effectiveness of the proposed modeling approach, including the simple model structure, the satisfactory modeling accuracy, the robustness of the algorithm to the noise, and the easy selection of user-designed parameters. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573314 [article] Hammerstein modeling with structure identification for multi - input multi - output nonlinear industrial processes [texte imprimé] / Chenkun Qi, Auteur ; Han-Xiong Li, Auteur ; Xianchao Zhao, Auteur . - 2011 . - pp. 11153-11169. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11153-11169 Mots-clés : Modeling Résumé : Hammerstein modeling with structure identification for multi-input multi-output (MIMO) nonlinear industrial processes is investigated in this study. The structure identification of the Hammerstein model is very challenging because the model terms are vectors, and some model terms are inputs of other model terms (i.e., model term coupling). An efficient model structure selection algorithm for the Hammerstein model is proposed with the multi-output locally regularized orthogonal least-squares (LROLS), A-optimality design, and a vector model term selection. To enhance the well-posedness of the regressors, estimation robustness, and model adequacy, the A-optimality criterion is integrated into the model error reduction criterion in the multi-output LROLS. To handle the vector model term coupling problem, a vector model term selection rule is synthesized into the multi-output LROLS. After the model structure is determined, to improve the robustness of the parameter estimation, the regularized least-squares method with the singular value decomposition (RLS-SVD) is used. The simple or sparse Hammerstein model structure can be determined from the noisy process data. The structure identification algorithm only includes a few user-designed parameters which are easy to select. Therefore, the ability of automatic construction of the Hammerstein model is enhanced. Three application examples are used to illustrate the effectiveness of the proposed modeling approach, including the simple model structure, the satisfactory modeling accuracy, the robustness of the algorithm to the noise, and the easy selection of user-designed parameters. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573314

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Generalized internal model control for balancing input / output disturbance response / S. Alcantara in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11170-11180 Titre : Generalized internal model control for balancing input / output disturbance response Type de document : texte imprimé Auteurs : S. Alcantara, Auteur ; C. Pedret, Auteur ; R. Vilanova, Auteur Année de publication : 2011 Article en page(s) : pp. 11170-11180 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Internal model control Résumé : Based on internal model control (IMC), we present a design method to take into account both input and output disturbances. The proposed design provides generalized IMC filters that can be used to obtain good results in terms of output sensitivity (favoring output disturbances), or in terms of input sensitivity (therefore placing the emphasis on load disturbances). If both input and output disturbances are expected, the design offers the possibility of obtaining a balance that improves the overall disturbance rejection response. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573315 [article] Generalized internal model control for balancing input / output disturbance response [texte imprimé] / S. Alcantara, Auteur ; C. Pedret, Auteur ; R. Vilanova, Auteur . - 2011 . - pp. 11170-11180. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11170-11180 Mots-clés : Internal model control Résumé : Based on internal model control (IMC), we present a design method to take into account both input and output disturbances. The proposed design provides generalized IMC filters that can be used to obtain good results in terms of output sensitivity (favoring output disturbances), or in terms of input sensitivity (therefore placing the emphasis on load disturbances). If both input and output disturbances are expected, the design offers the possibility of obtaining a balance that improves the overall disturbance rejection response. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573315

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Modeling and evaluation of CO2 supply and utilization in algal ponds / Aidong Yang in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11181-11192 Titre : Modeling and evaluation of CO2 supply and utilization in algal ponds Type de document : texte imprimé Auteurs : Aidong Yang, Auteur Année de publication : 2011 Article en page(s) : pp. 11181-11192 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Carbon dioxide Modeling Résumé : A mathematical model was constructed to simulate the behavior of an open algal pond particularly with respect to CO2 supply and utilization. The algal pond considered takes wastewater as feed, which provides substrate for aerobic bacteria and also nutrients for the algal-bacterial consortium. CO2-containing gas such as flue gas or biogas is considered as additional source of CO2 to support the growth of algae which at the same time also serves the purpose of CO2 abatement. A number of simulation studies were carried out to evaluate the performance of the system in terms ofthe production of algae, treatment of wastewater, and CO2 fixation and removal. Important design and operating parameters were considered, including pond depth, hydraulic retention time, composition of the feed wastewater, flow rate and CO2 fraction of the supplied gas flow, and the area utilized for gas flow induction. Several useful observations were made based on the simulation results, with the potential to provide guidance to the future practical development of multifunctional algal ponds. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573316 [article] Modeling and evaluation of CO2 supply and utilization in algal ponds [texte imprimé] / Aidong Yang, Auteur . - 2011 . - pp. 11181-11192. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11181-11192 Mots-clés : Carbon dioxide Modeling Résumé : A mathematical model was constructed to simulate the behavior of an open algal pond particularly with respect to CO2 supply and utilization. The algal pond considered takes wastewater as feed, which provides substrate for aerobic bacteria and also nutrients for the algal-bacterial consortium. CO2-containing gas such as flue gas or biogas is considered as additional source of CO2 to support the growth of algae which at the same time also serves the purpose of CO2 abatement. A number of simulation studies were carried out to evaluate the performance of the system in terms ofthe production of algae, treatment of wastewater, and CO2 fixation and removal. Important design and operating parameters were considered, including pond depth, hydraulic retention time, composition of the feed wastewater, flow rate and CO2 fraction of the supplied gas flow, and the area utilized for gas flow induction. Several useful observations were made based on the simulation results, with the potential to provide guidance to the future practical development of multifunctional algal ponds. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573316

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Control structure selection of an ideal reactive distillation column / Ioannis K. Kookos in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11193-11200 Titre : Control structure selection of an ideal reactive distillation column Type de document : texte imprimé Auteurs : Ioannis K. Kookos, Auteur Année de publication : 2011 Article en page(s) : pp. 11193-11200 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Distillation column with reaction Résumé : The selection of process control structures has attracted significant attention in the past 3 decades. Two approaches have emerged. The first approach uses heuristics or previous knowledge in order to develop plausible control structures, while the second is model-based and systematic. In this work a challenging case study is considered with the aim being to demonstrate that the systematic methodologies can outperform the empirical approaches. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573317 [article] Control structure selection of an ideal reactive distillation column [texte imprimé] / Ioannis K. Kookos, Auteur . - 2011 . - pp. 11193-11200. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11193-11200 Mots-clés : Distillation column with reaction Résumé : The selection of process control structures has attracted significant attention in the past 3 decades. Two approaches have emerged. The first approach uses heuristics or previous knowledge in order to develop plausible control structures, while the second is model-based and systematic. In this work a challenging case study is considered with the aim being to demonstrate that the systematic methodologies can outperform the empirical approaches. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573317

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Optimization of power - intensive energy systems with carbon capture / Xuesong Zheng in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11201–11225 Titre : Optimization of power - intensive energy systems with carbon capture Type de document : texte imprimé Auteurs : Xuesong Zheng, Auteur ; Jin-Kuk Kim, Auteur Année de publication : 2011 Article en page(s) : pp. 11201–11225 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Optimization Energy Systems Résumé : A systematic methodology for the synthesis of power systems has been developed, which explores the interactions among the equipment as well as the processes in power and utility systems. Also, the optimization is able to study the integration of CO2 capture processes with power systems for minimizing site-wide fuel consumption. Typical operating conditions for precombustion as well as postcombustion CO2 capture have been applied to estimate energy demand within the CO2 capture process. The power system is designed not only to meet the electricity and shaft power demand from the background process but also to satisfy the additional energy requirement incurred by CO2 removal. With the energy integration for the overall systems, the fuel consumption could be reduced, and operating cost, minimized. A case study is presented to demonstrate the usefulness and effectiveness of the proposed methodology for the design of energy and power systems in liquid natural gas (LNG) plants, under a carbon-constrained business environment. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie200839k?mi=ulgef4&af=R&pageSize=100&prevSe [...] [article] Optimization of power - intensive energy systems with carbon capture [texte imprimé] / Xuesong Zheng, Auteur ; Jin-Kuk Kim, Auteur . - 2011 . - pp. 11201–11225. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11201–11225 Mots-clés : Optimization Energy Systems Résumé : A systematic methodology for the synthesis of power systems has been developed, which explores the interactions among the equipment as well as the processes in power and utility systems. Also, the optimization is able to study the integration of CO2 capture processes with power systems for minimizing site-wide fuel consumption. Typical operating conditions for precombustion as well as postcombustion CO2 capture have been applied to estimate energy demand within the CO2 capture process. The power system is designed not only to meet the electricity and shaft power demand from the background process but also to satisfy the additional energy requirement incurred by CO2 removal. With the energy integration for the overall systems, the fuel consumption could be reduced, and operating cost, minimized. A case study is presented to demonstrate the usefulness and effectiveness of the proposed methodology for the design of energy and power systems in liquid natural gas (LNG) plants, under a carbon-constrained business environment. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie200839k?mi=ulgef4&af=R&pageSize=100&prevSe [...]

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Active constraint regions for optimal operation of chemical processes / Magnus G. Jacobsen in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11226–11236 Titre : Active constraint regions for optimal operation of chemical processes Type de document : texte imprimé Auteurs : Magnus G. Jacobsen, Auteur ; Sigurd Skogestad, Auteur Année de publication : 2011 Article en page(s) : pp. 11226–11236 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Optimal operation Chemical processes Résumé : When designing the control structure of a chemical plant, with optimal operation and control in mind, it is important to know how the active set of constraints changes with disturbances.The generation of optimal active constraints regions using optimization generally is very time-consuming, and this paper discusses how to use process knowledge to minimize the need for numerical calculations—that is, minimize the number of optimization problems that must be solved. We consider the case of two disturbances, as this can be nicely represented graphically. In this paper, we study economically optimal operation of a reactor–separator–recycle process and show how the set of active constraints changes with feed flow rate and energy cost as disturbances. We also identify the economical and physical bottleneck of the process. For this case study process, we find five distinct regions with different active sets. This illustrates that, even for simple cases, the map of active constraint regions can be quite complex. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2012196?mi=uytze9&af=R&pageSize=20&searchT [...] [article] Active constraint regions for optimal operation of chemical processes [texte imprimé] / Magnus G. Jacobsen, Auteur ; Sigurd Skogestad, Auteur . - 2011 . - pp. 11226–11236. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11226–11236 Mots-clés : Optimal operation Chemical processes Résumé : When designing the control structure of a chemical plant, with optimal operation and control in mind, it is important to know how the active set of constraints changes with disturbances.The generation of optimal active constraints regions using optimization generally is very time-consuming, and this paper discusses how to use process knowledge to minimize the need for numerical calculations—that is, minimize the number of optimization problems that must be solved. We consider the case of two disturbances, as this can be nicely represented graphically. In this paper, we study economically optimal operation of a reactor–separator–recycle process and show how the set of active constraints changes with feed flow rate and energy cost as disturbances. We also identify the economical and physical bottleneck of the process. For this case study process, we find five distinct regions with different active sets. This illustrates that, even for simple cases, the map of active constraint regions can be quite complex. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2012196?mi=uytze9&af=R&pageSize=20&searchT [...]

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Experimental analysis and modeling of the separation of triacylglycerol and free fatty acid mixtures using molecular distillation / Guillermo Arzate-Martinez in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11237-11244 Titre : Experimental analysis and modeling of the separation of triacylglycerol and free fatty acid mixtures using molecular distillation Type de document : texte imprimé Auteurs : Guillermo Arzate-Martinez, Auteur ; Arturo Jimenez-Gutierrez, Auteur ; Hugo S. Garcia, Auteur Année de publication : 2011 Article en page(s) : pp. 11237-11244 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Distillation Modeling Résumé : Experimental results for the separation of triacylglycerols and free fatty acids mixtures by molecular distillation are reported. The experiments were carried out so as to evaluate the effect of relevant operating conditions on the performance of the separation. Mixtures with different compositions were distilled at pressures of 1 and 4mbar, with temperatures ranging from 40 to 80 °C, mass flows from 0.95 to 7.65 g/min, and wiper speeds from 0 to 400 rpm. Distillate and retentate products were weighed and evaporated fractions were calculated. The results were compared with those predicted by the use of the Langmuir Knudsen equation together with a functional group contribution method to estimate the vapor pressure of the components. The approach provided a good basis to model the experimental results for the separation by molecular distillation of binary mixtures of free fatty acids and triacylglycerols, as well as for mixtures of several free fatty acids. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573320 [article] Experimental analysis and modeling of the separation of triacylglycerol and free fatty acid mixtures using molecular distillation [texte imprimé] / Guillermo Arzate-Martinez, Auteur ; Arturo Jimenez-Gutierrez, Auteur ; Hugo S. Garcia, Auteur . - 2011 . - pp. 11237-11244. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11237-11244 Mots-clés : Distillation Modeling Résumé : Experimental results for the separation of triacylglycerols and free fatty acids mixtures by molecular distillation are reported. The experiments were carried out so as to evaluate the effect of relevant operating conditions on the performance of the separation. Mixtures with different compositions were distilled at pressures of 1 and 4mbar, with temperatures ranging from 40 to 80 °C, mass flows from 0.95 to 7.65 g/min, and wiper speeds from 0 to 400 rpm. Distillate and retentate products were weighed and evaporated fractions were calculated. The results were compared with those predicted by the use of the Langmuir Knudsen equation together with a functional group contribution method to estimate the vapor pressure of the components. The approach provided a good basis to model the experimental results for the separation by molecular distillation of binary mixtures of free fatty acids and triacylglycerols, as well as for mixtures of several free fatty acids. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573320

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Conditions optimization and kinetics for the cleaning of ceramic membranes fouled by BaSO4 crystals in brine purification using a DTPA complex solution / Junjie Gu in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11245-11251 Titre : Conditions optimization and kinetics for the cleaning of ceramic membranes fouled by BaSO4 crystals in brine purification using a DTPA complex solution Type de document : texte imprimé Auteurs : Junjie Gu, Auteur ; Huiqin Zhang, Auteur ; Zhaoxiang Zhong, Auteur Année de publication : 2011 Article en page(s) : pp. 11245-11251 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Optimization Kinetics Ceramic membranes Résumé : We investigated the cleaning efficiency and kinetics of multichannel ceramic membranes fouled during brine purification. The foulants were first characterized by means of SEM, EDX, and XRD analyses, and we found that mainly BaSO4 crystals were deposited on the membrane surface. A cleaning solution composed of diethylenetrinitrilopentaacetic acid (DTPA), oxalic acid, and NaOH was developed to regenerate the fouled ceramic membranes. The membranes could be completely recovered with the cleaning solution. The cleaning rate increased with the concentration of DTPA (C DTPA) and temperature (T) but was not sensitive to the crossflow velocity (CFV) or transmembrane pressure (TMP). The optimized cleaning condition was C DTPA = 1.0 × 10–3 mol/L, T = 50 °C, CFV = 3.0 m/s, and TMP = 0.10 MPa. A dissolution kinetics model associated with both the concentration factor and temperature factor was developed, which fitted well the experimental results. This model was used to determine the reaction rate constants during the cleaning process at different temperatures. Based on this model, we found that the activation energy of BaSO4 dissolution using the cleaning solution consisted of DTPA, oxalic acid, and NaOH was lower than that of using pure DTPA solution. The results support the conclusion that the compound solution provided a better cleaning performance than pure DTPA solution. DEWEY : 660 ISSN : 0888-5885 En ligne : http://journals1.scholarsportal.info/details.xqy?uri=/08885885/v50i0019/11245_co [...] [article] Conditions optimization and kinetics for the cleaning of ceramic membranes fouled by BaSO4 crystals in brine purification using a DTPA complex solution [texte imprimé] / Junjie Gu, Auteur ; Huiqin Zhang, Auteur ; Zhaoxiang Zhong, Auteur . - 2011 . - pp. 11245-11251. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11245-11251 Mots-clés : Optimization Kinetics Ceramic membranes Résumé : We investigated the cleaning efficiency and kinetics of multichannel ceramic membranes fouled during brine purification. The foulants were first characterized by means of SEM, EDX, and XRD analyses, and we found that mainly BaSO4 crystals were deposited on the membrane surface. A cleaning solution composed of diethylenetrinitrilopentaacetic acid (DTPA), oxalic acid, and NaOH was developed to regenerate the fouled ceramic membranes. The membranes could be completely recovered with the cleaning solution. The cleaning rate increased with the concentration of DTPA (C DTPA) and temperature (T) but was not sensitive to the crossflow velocity (CFV) or transmembrane pressure (TMP). The optimized cleaning condition was C DTPA = 1.0 × 10–3 mol/L, T = 50 °C, CFV = 3.0 m/s, and TMP = 0.10 MPa. A dissolution kinetics model associated with both the concentration factor and temperature factor was developed, which fitted well the experimental results. This model was used to determine the reaction rate constants during the cleaning process at different temperatures. Based on this model, we found that the activation energy of BaSO4 dissolution using the cleaning solution consisted of DTPA, oxalic acid, and NaOH was lower than that of using pure DTPA solution. The results support the conclusion that the compound solution provided a better cleaning performance than pure DTPA solution. DEWEY : 660 ISSN : 0888-5885 En ligne : http://journals1.scholarsportal.info/details.xqy?uri=/08885885/v50i0019/11245_co [...]

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A miniature membrane reactor for evaluation of process design options on the enzymatic degradation of pectin / Muhd Nazrul Hisham Zainal Alam in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp 11252–11258 Titre : A miniature membrane reactor for evaluation of process design options on the enzymatic degradation of pectin Type de document : texte imprimé Auteurs : Muhd Nazrul Hisham Zainal Alam, Auteur Année de publication : 2011 Article en page(s) : pp 11252–11258 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Membrane reactor Enzymatic Résumé : The objective of this paper is to assess if a membrane microbioreactor system could potentially be used to diagnose consequences of different process design and reactor operation options relevant for larger-scale enzymatic degradation of pectin reactions. The membrane microbioreactor prototype was fabricated from poly(methylmethacrylate) (PMMA) and poly(dimethylsiloxane) (PDMS) with a working volume of 190 μL. The prototype also contained the necessary sensors and actuators, i.e., pressure transducer, mixing via magnetic stirrer bar and a temperature controller. The functionality of the prototype was demonstrated by performing a continuous enzymatic degradation of pectin experiment for a range of reactor conditions: different membrane molecular weight cutoff (MWCO) values, enzyme-to-substrate ratios (E/S), and substrate feeding rates (F) were assessed. Based on the experimental data, it was found that the apparent reaction rate increased from 0.11 μmol/h to 0.13 μmol/h when the E/S ratio was doubled from 0.2% (g/g) to 0.4% (g/g). In contrast, when the substrate feeding rate was reduced from 200 μL/h to 100 μL/h (i.e., longer residence time), a higher yield was achieved (producing a pectin fragment concentration of 0.82 mM in the permeate) and the apparent reaction rate increased by 50% (i.e., from 0.11 μmol/h to 0.17 μmol/h). Clearly, this signifies that the substrate feeding rate is a critical variable that influences the conversion rate and the process yield. The data also showed that the process design affected the membrane rejection profile. The results obtained thus underlined the suitability of a miniature membrane reactor system for evaluating different process design options that are relevant for larger-scale reactions of enzymatic pectin degradation. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie200338k [article] A miniature membrane reactor for evaluation of process design options on the enzymatic degradation of pectin [texte imprimé] / Muhd Nazrul Hisham Zainal Alam, Auteur . - 2011 . - pp 11252–11258. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp 11252–11258 Mots-clés : Membrane reactor Enzymatic Résumé : The objective of this paper is to assess if a membrane microbioreactor system could potentially be used to diagnose consequences of different process design and reactor operation options relevant for larger-scale enzymatic degradation of pectin reactions. The membrane microbioreactor prototype was fabricated from poly(methylmethacrylate) (PMMA) and poly(dimethylsiloxane) (PDMS) with a working volume of 190 μL. The prototype also contained the necessary sensors and actuators, i.e., pressure transducer, mixing via magnetic stirrer bar and a temperature controller. The functionality of the prototype was demonstrated by performing a continuous enzymatic degradation of pectin experiment for a range of reactor conditions: different membrane molecular weight cutoff (MWCO) values, enzyme-to-substrate ratios (E/S), and substrate feeding rates (F) were assessed. Based on the experimental data, it was found that the apparent reaction rate increased from 0.11 μmol/h to 0.13 μmol/h when the E/S ratio was doubled from 0.2% (g/g) to 0.4% (g/g). In contrast, when the substrate feeding rate was reduced from 200 μL/h to 100 μL/h (i.e., longer residence time), a higher yield was achieved (producing a pectin fragment concentration of 0.82 mM in the permeate) and the apparent reaction rate increased by 50% (i.e., from 0.11 μmol/h to 0.17 μmol/h). Clearly, this signifies that the substrate feeding rate is a critical variable that influences the conversion rate and the process yield. The data also showed that the process design affected the membrane rejection profile. The results obtained thus underlined the suitability of a miniature membrane reactor system for evaluating different process design options that are relevant for larger-scale reactions of enzymatic pectin degradation. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie200338k

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Novel solvent deasphalting process by vacuum residue blending with coal tar / Jian Long in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11259–11269 Titre : Novel solvent deasphalting process by vacuum residue blending with coal tar Type de document : texte imprimé Auteurs : Jian Long, Auteur ; Benxian Shen, Auteur ; Hao Ling, Auteur Année de publication : 2011 Article en page(s) : pp. 11259–11269 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Coal Résumé : The effect of the solvent deasphalting (SDA) process of vacuum residue (VR) blending with coal tar (CT) was studied, and the experimental conditions were optimized. The results revealed that the SDA process was improved by blending with coal tar. The yield of deasphalted oil (DAO) from VR blended with 10% CT was 2.02 wt % higher than that obtained from VR alone. The contents of nickel and vanadium decreased by 5%, and the sulfur content also decreased, whereas the contents of carbon residue and nitrogen remained unchanged. Components such as alkanes and low-condensation aromatics were easily extracted into DAO, leading to an increase of its yield and quality. The viscosity and colloid stability of VR declined after being blended with CT. Furthermore, the structures of VR and CT were characterized, and their structural models were proposed. Thus, their solubility parameters were calculated. According to dissolved balance theory, the mechanism of how the blended CT improved the SDA process was analyzed based on the test results of the surface tension of the extraction and the analysis of the average molecular structure parameters of DAO. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573323 [article] Novel solvent deasphalting process by vacuum residue blending with coal tar [texte imprimé] / Jian Long, Auteur ; Benxian Shen, Auteur ; Hao Ling, Auteur . - 2011 . - pp. 11259–11269. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11259–11269 Mots-clés : Coal Résumé : The effect of the solvent deasphalting (SDA) process of vacuum residue (VR) blending with coal tar (CT) was studied, and the experimental conditions were optimized. The results revealed that the SDA process was improved by blending with coal tar. The yield of deasphalted oil (DAO) from VR blended with 10% CT was 2.02 wt % higher than that obtained from VR alone. The contents of nickel and vanadium decreased by 5%, and the sulfur content also decreased, whereas the contents of carbon residue and nitrogen remained unchanged. Components such as alkanes and low-condensation aromatics were easily extracted into DAO, leading to an increase of its yield and quality. The viscosity and colloid stability of VR declined after being blended with CT. Furthermore, the structures of VR and CT were characterized, and their structural models were proposed. Thus, their solubility parameters were calculated. According to dissolved balance theory, the mechanism of how the blended CT improved the SDA process was analyzed based on the test results of the surface tension of the extraction and the analysis of the average molecular structure parameters of DAO. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573323

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Rapid and sensitive synergistic extraction and spectrophotometric determination of silver(I) using 1 - (2',4'- dinitro aminophenyl) - 4,4,6 - trimethyl - 1,4 - dihydropyrimidine - 2 - thiol / Ganesh S. Kamble in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11270-11279 Titre : Rapid and sensitive synergistic extraction and spectrophotometric determination of silver(I) using 1 - (2',4'- dinitro aminophenyl) - 4,4,6 - trimethyl - 1,4 - dihydropyrimidine - 2 - thiol : analysis of real samples Type de document : texte imprimé Auteurs : Ganesh S. Kamble, Auteur ; Ashwini P. Gaikwad, Auteur ; Balasaheb N. Kokare, Auteur Année de publication : 2011 Article en page(s) : pp. 11270-11279 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Synergism Résumé : A rapid, simple, reliable, sensitive, and selective extractive spectrophotometric method was developed for the determination of silver(I) using 1-(2',4'-dinitro aminophenyl)-4,4,6-tirimethyl-1,4-dihydro pyrimidine-2-thiol, [2',4'-dinitro APTPT] as a chromogenic reagent The procedure is based on the synergistic extraction of silver(I) with 2',4'-dinitro APTPT in presence of 0.5 mol L―1 pyridine. 2',4'-Dinitro APTPT reacts with silver(I) to form an orange―red ternary complex (λmax 440 nm) in the presence of 0.5 mol L―1 pyridine having a molar ratio 1:1:1 (M:L:Py) in the pH range 2.7―4.3. The Beer's law is obeyed in the concentration range of I―11 μg mL―1 silver(I). The molar absorptivities and Sandell's sensitivities of the complex in the chloroform are 1.131 × 104 L·mol―1·cm―1 and 0.010 μg cm―2 in the presence of pyridine, while they are 4.962 x 104 L·mol―1·cm―1 and 0.021 μg cm―2 in the absence of pyridine, respectively. A reproducibility of the method was checked by finding the relative standard deviation (RSD) (n = 5), which was 0.12%. The method is free from interferences due to the large number of cations and anions and has been successfully applied for the determination of silver in synthetic mixtures, ayurvedic samples, silver nano materials, photographic washing wastes (hypo solution), and waste effluent from silver refineries. It is also used for sequential separation of silver(I), copper(II), and gold(III) from their mixture. The accuracy was assessed using atomic absorption spectrometry (AAS), which tested the validity of the method. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573324 [article] Rapid and sensitive synergistic extraction and spectrophotometric determination of silver(I) using 1 - (2',4'- dinitro aminophenyl) - 4,4,6 - trimethyl - 1,4 - dihydropyrimidine - 2 - thiol : analysis of real samples [texte imprimé] / Ganesh S. Kamble, Auteur ; Ashwini P. Gaikwad, Auteur ; Balasaheb N. Kokare, Auteur . - 2011 . - pp. 11270-11279. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11270-11279 Mots-clés : Synergism Résumé : A rapid, simple, reliable, sensitive, and selective extractive spectrophotometric method was developed for the determination of silver(I) using 1-(2',4'-dinitro aminophenyl)-4,4,6-tirimethyl-1,4-dihydro pyrimidine-2-thiol, [2',4'-dinitro APTPT] as a chromogenic reagent The procedure is based on the synergistic extraction of silver(I) with 2',4'-dinitro APTPT in presence of 0.5 mol L―1 pyridine. 2',4'-Dinitro APTPT reacts with silver(I) to form an orange―red ternary complex (λmax 440 nm) in the presence of 0.5 mol L―1 pyridine having a molar ratio 1:1:1 (M:L:Py) in the pH range 2.7―4.3. The Beer's law is obeyed in the concentration range of I―11 μg mL―1 silver(I). The molar absorptivities and Sandell's sensitivities of the complex in the chloroform are 1.131 × 104 L·mol―1·cm―1 and 0.010 μg cm―2 in the presence of pyridine, while they are 4.962 x 104 L·mol―1·cm―1 and 0.021 μg cm―2 in the absence of pyridine, respectively. A reproducibility of the method was checked by finding the relative standard deviation (RSD) (n = 5), which was 0.12%. The method is free from interferences due to the large number of cations and anions and has been successfully applied for the determination of silver in synthetic mixtures, ayurvedic samples, silver nano materials, photographic washing wastes (hypo solution), and waste effluent from silver refineries. It is also used for sequential separation of silver(I), copper(II), and gold(III) from their mixture. The accuracy was assessed using atomic absorption spectrometry (AAS), which tested the validity of the method. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573324

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Effect of hydrodistillation on 1,8 - cineole extraction from mallee leal and the fuel properties of spent biomass / Hongwei Wu in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11280-11287 Titre : Effect of hydrodistillation on 1,8 - cineole extraction from mallee leal and the fuel properties of spent biomass Type de document : texte imprimé Auteurs : Hongwei Wu, Auteur ; William Hendrawinata, Auteur ; Yun Yu, Auteur Année de publication : 2011 Article en page(s) : pp. 11280-11287 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Biomass Fuel Résumé : Many mallee eucalyptus species have leaves that contain terpenoid oils commonly known as eucalyptus oil, of which 1,8-cineole is the major constituent. 1,8-Cineole is potentially a high-value product that might improve the economic viability of a mallee-based biomass industry. It can be extracted by hydrodistillation, but the extraction process may affect the fuel properties of spent biomass. It was found that extraction of 1,8-cineole from mallee biomass is fast initially and tapers off to completion after 30 min of hydrodistillation. The distillation process has little effect on the fuel chemistry or the mass energy density of the spent biomass. However, hydrodistillation can potentially extract a substantial proportion of the alkali and alkaline earth metallic species from the raw biomass, depending on the biomass component (leaf, wood, and bark). Typically, Na and K are easily extracted while Mg and Ca are hard to extract. After hydrodistillation, the spent leaf becomes more difficult to grind than the raw leaf, apparently because ofthe poorer grindiability ofthe oil gland enclosures and vascular bundles after hydrodistillation. However, hydrodistillation appears to have little effect on the grindability of spent wood and bark fractions. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573325 [article] Effect of hydrodistillation on 1,8 - cineole extraction from mallee leal and the fuel properties of spent biomass [texte imprimé] / Hongwei Wu, Auteur ; William Hendrawinata, Auteur ; Yun Yu, Auteur . - 2011 . - pp. 11280-11287. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11280-11287 Mots-clés : Biomass Fuel Résumé : Many mallee eucalyptus species have leaves that contain terpenoid oils commonly known as eucalyptus oil, of which 1,8-cineole is the major constituent. 1,8-Cineole is potentially a high-value product that might improve the economic viability of a mallee-based biomass industry. It can be extracted by hydrodistillation, but the extraction process may affect the fuel properties of spent biomass. It was found that extraction of 1,8-cineole from mallee biomass is fast initially and tapers off to completion after 30 min of hydrodistillation. The distillation process has little effect on the fuel chemistry or the mass energy density of the spent biomass. However, hydrodistillation can potentially extract a substantial proportion of the alkali and alkaline earth metallic species from the raw biomass, depending on the biomass component (leaf, wood, and bark). Typically, Na and K are easily extracted while Mg and Ca are hard to extract. After hydrodistillation, the spent leaf becomes more difficult to grind than the raw leaf, apparently because ofthe poorer grindiability ofthe oil gland enclosures and vascular bundles after hydrodistillation. However, hydrodistillation appears to have little effect on the grindability of spent wood and bark fractions. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573325

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Classified separation of lignin hydrothermal liquefied products / Shimin Kang in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11288-11296 Titre : Classified separation of lignin hydrothermal liquefied products Type de document : texte imprimé Auteurs : Shimin Kang, Auteur ; Xianglan Li, Auteur ; Juan Fan, Auteur Année de publication : 2011 Article en page(s) : pp. 11288-11296 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Hydrothermal Liquefied products Résumé : Alkaline lignin was liquefied under hydrothermal conditions, and the liquefied products were effectively separated into four main types of substances: benzenediols, monophenolic hydroxyl products, weak-polar products, and water-soluble products (low-molecular-weight organic acids, alcohols, etc.). The production process and yield of each classified products are discussed. More than half of the yields of the oil products consisted of phenolics. A mechanism for phenolic production from lignin liquefaction is proposed. It suggests that the decomposition of lignin under hydrothermal conditions occurs mainly by three steps: hydrolysis and cleavage of the ether bond and the C–C bond, demethoxylation, and alkylation. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2011356 [article] Classified separation of lignin hydrothermal liquefied products [texte imprimé] / Shimin Kang, Auteur ; Xianglan Li, Auteur ; Juan Fan, Auteur . - 2011 . - pp. 11288-11296. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11288-11296 Mots-clés : Hydrothermal Liquefied products Résumé : Alkaline lignin was liquefied under hydrothermal conditions, and the liquefied products were effectively separated into four main types of substances: benzenediols, monophenolic hydroxyl products, weak-polar products, and water-soluble products (low-molecular-weight organic acids, alcohols, etc.). The production process and yield of each classified products are discussed. More than half of the yields of the oil products consisted of phenolics. A mechanism for phenolic production from lignin liquefaction is proposed. It suggests that the decomposition of lignin under hydrothermal conditions occurs mainly by three steps: hydrolysis and cleavage of the ether bond and the C–C bond, demethoxylation, and alkylation. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2011356

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Polypropylene glycol / Zhuan Yi in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp 11297–11305 Titre : Polypropylene glycol : the hydrophilic phenomena in the modification of polyethersulfone membranes Type de document : texte imprimé Auteurs : Zhuan Yi, Auteur ; Liping Zhu, Auteur ; Youyi Xu, Auteur Année de publication : 2011 Article en page(s) : pp 11297–11305 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Glycol Polyethersulfone membranes Résumé : In this work, the polypropylene glycol (PPG) was observed showing obvious hydrophilicity improvement to polyethersulfone (PES) membranes when it was introduced. The water contact angles of the blend membranes were significantly lowered to 50° when contents of PPG were 25 wt % in the as-formed membranes. The stability test presented a good durability of PPG when blend membranes suffered a 70 days water washing. Surface constitution analysis revealed that PPG concentration in the near surface was nearly two times higher than the theoretic value, indicating the surface enrichment of PPG in membranes. A pore-forming effect was also observed though the porosity increase was not obvious. The results of platelet adhesion, flux recovery, and protein adsorption indicated a nice fouling-resistance property of blend membranes. The molecular folding as well as the surface aggregation of PPG was explored as a reason for the hydrophilic improvement to blend membranes. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201238c [article] Polypropylene glycol : the hydrophilic phenomena in the modification of polyethersulfone membranes [texte imprimé] / Zhuan Yi, Auteur ; Liping Zhu, Auteur ; Youyi Xu, Auteur . - 2011 . - pp 11297–11305. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp 11297–11305 Mots-clés : Glycol Polyethersulfone membranes Résumé : In this work, the polypropylene glycol (PPG) was observed showing obvious hydrophilicity improvement to polyethersulfone (PES) membranes when it was introduced. The water contact angles of the blend membranes were significantly lowered to 50° when contents of PPG were 25 wt % in the as-formed membranes. The stability test presented a good durability of PPG when blend membranes suffered a 70 days water washing. Surface constitution analysis revealed that PPG concentration in the near surface was nearly two times higher than the theoretic value, indicating the surface enrichment of PPG in membranes. A pore-forming effect was also observed though the porosity increase was not obvious. The results of platelet adhesion, flux recovery, and protein adsorption indicated a nice fouling-resistance property of blend membranes. The molecular folding as well as the surface aggregation of PPG was explored as a reason for the hydrophilic improvement to blend membranes. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201238c

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Baseline flowsheet model for IGCC with carbon capture / Randall P. Field in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11306-11312 Titre : Baseline flowsheet model for IGCC with carbon capture Type de document : texte imprimé Auteurs : Randall P. Field, Auteur ; Robert Brasington, Auteur Année de publication : 2011 Article en page(s) : pp. 11306-11312 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Modeling Flowsheet Résumé : Integrated gasification combined cycle (IGCC) processes have the potential for high thermal efficiency with a low energy penalty for carbon capture. Many researchers have proposed various innovations to improve upon the efficiency of the IGCC process. However, the analysis methods of most publications are generally not transparent and these published results are exceedingly difficult to reproduce. The National Energy Technology Laboratory (NETL) report [Cost and Performance Baseline for Fossil Energy Plants: Bituminous Coal and Natural Gas to Electricity Final Report; U.S. Department of Energy, Office of Fossil Energy, NETL, DOE/NETL-2010/1397, 2010] is widely used as a reference by researchers and by industry. To enable researchers to have a consistent and transparent framework for analyzing IGCC flowsheets and potential innovations, a baseline model derived from the NETL report is described herein and the corresponding flowsheet model and its full documentation are available online from this journal for use and modification. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573328 [article] Baseline flowsheet model for IGCC with carbon capture [texte imprimé] / Randall P. Field, Auteur ; Robert Brasington, Auteur . - 2011 . - pp. 11306-11312. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11306-11312 Mots-clés : Modeling Flowsheet Résumé : Integrated gasification combined cycle (IGCC) processes have the potential for high thermal efficiency with a low energy penalty for carbon capture. Many researchers have proposed various innovations to improve upon the efficiency of the IGCC process. However, the analysis methods of most publications are generally not transparent and these published results are exceedingly difficult to reproduce. The National Energy Technology Laboratory (NETL) report [Cost and Performance Baseline for Fossil Energy Plants: Bituminous Coal and Natural Gas to Electricity Final Report; U.S. Department of Energy, Office of Fossil Energy, NETL, DOE/NETL-2010/1397, 2010] is widely used as a reference by researchers and by industry. To enable researchers to have a consistent and transparent framework for analyzing IGCC flowsheets and potential innovations, a baseline model derived from the NETL report is described herein and the corresponding flowsheet model and its full documentation are available online from this journal for use and modification. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573328

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Analysis of membrane and adsorbent processes for warm syngas cleanup in integrated gasification combined - Cycle power with CO2 capture and sequestration / David J. Couling in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11313-11336 Titre : Analysis of membrane and adsorbent processes for warm syngas cleanup in integrated gasification combined - Cycle power with CO2 capture and sequestration Type de document : texte imprimé Auteurs : David J. Couling, Auteur ; Kshitij Prakash, Auteur ; William H. Green, Auteur Année de publication : 2011 Article en page(s) : pp. 11313-11336 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Carbon dioxide Gasification Synthesis gas Résumé : Integrated gasification combined cycle (IGCC) with CO2 capture and sequestration (CCS) offers a promising approach for cleanly using abundant coal reserves of the world to generate electricity. The present state-of-the-art synthesis gas (syngas) cleanup technologies in IGCC involve cooling the syngas from the gasifier to room temperature or lower for removing sulfur, carbon dioxide, and other pollutants, leading to a large efficiency loss. Here we assess the suitability of various alternative syngas cleanup technologies for IGCC with CCS through computational simulations. We model multicomponent gas separation for CO2 capture in IGCC using polymeric membranes and H2 separation from the syngas using both Pd-alloy based composite metallic membranes and polymeric membranes. In addition, we develop a pressure swing adsorption model to estimate the energy efficiency of regenerable sorbent beds for CO2 capture. We use our models with Aspen Plus simulations to identify promising design and operating conditions for membrane and adsorption processes in an IGCC plant. On the basis of our analysis, the benefits of warm gas cleanup are not as great as previously reported in the literature, and only CO2 separations performed using H2-permeable Pd-alloy membranes and CO2 adsorbents produce overall higher heating value (HHV) efficiencies higher than that of Selexol. In addition, many of the technologies surveyed require a narrow operating range of process parameters in order to be viable alternatives. We identify desired material properties of membranes and thermodynamic properties of sorbents that are needed to make these technologies successful, providing direction for ongoing experimental efforts to develop these materials. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573329 [article] Analysis of membrane and adsorbent processes for warm syngas cleanup in integrated gasification combined - Cycle power with CO2 capture and sequestration [texte imprimé] / David J. Couling, Auteur ; Kshitij Prakash, Auteur ; William H. Green, Auteur . - 2011 . - pp. 11313-11336. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11313-11336 Mots-clés : Carbon dioxide Gasification Synthesis gas Résumé : Integrated gasification combined cycle (IGCC) with CO2 capture and sequestration (CCS) offers a promising approach for cleanly using abundant coal reserves of the world to generate electricity. The present state-of-the-art synthesis gas (syngas) cleanup technologies in IGCC involve cooling the syngas from the gasifier to room temperature or lower for removing sulfur, carbon dioxide, and other pollutants, leading to a large efficiency loss. Here we assess the suitability of various alternative syngas cleanup technologies for IGCC with CCS through computational simulations. We model multicomponent gas separation for CO2 capture in IGCC using polymeric membranes and H2 separation from the syngas using both Pd-alloy based composite metallic membranes and polymeric membranes. In addition, we develop a pressure swing adsorption model to estimate the energy efficiency of regenerable sorbent beds for CO2 capture. We use our models with Aspen Plus simulations to identify promising design and operating conditions for membrane and adsorption processes in an IGCC plant. On the basis of our analysis, the benefits of warm gas cleanup are not as great as previously reported in the literature, and only CO2 separations performed using H2-permeable Pd-alloy membranes and CO2 adsorbents produce overall higher heating value (HHV) efficiencies higher than that of Selexol. In addition, many of the technologies surveyed require a narrow operating range of process parameters in order to be viable alternatives. We identify desired material properties of membranes and thermodynamic properties of sorbents that are needed to make these technologies successful, providing direction for ongoing experimental efforts to develop these materials. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573329

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Quantitative structure - property relationship for flash points of alcohols / Aboozar Khajeh in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11337-11342 Titre : Quantitative structure - property relationship for flash points of alcohols Type de document : texte imprimé Auteurs : Aboozar Khajeh, Auteur ; Hamid Modarress, Auteur Année de publication : 2011 Article en page(s) : pp. 11337-11342 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Property structure relationship Résumé : In this paper, quantitative structure―property relationship (QSPR) models have been developed to predict flash points for some common alcohols based on a data set of 151 components. With the use of the genetic function approximation (GFA) approach, four descriptors have been selected from a set of more than 1000 molecular descriptors. These selected descriptors were used as inputs for the adaptive neuro-fuzzy inference system (ANFIS) model The GFA model resulted in squared correlation coefficient values of 0.935 and 0.91 respectively for the training and test sets, whereas ANFIS resulted in the values of 0.959 and 0.951 for the training and test sets, respectively. However, the linear and nonlinear models can give satisfactory prediction results, but the ANFIS model is somewhat superior. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573330 [article] Quantitative structure - property relationship for flash points of alcohols [texte imprimé] / Aboozar Khajeh, Auteur ; Hamid Modarress, Auteur . - 2011 . - pp. 11337-11342. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11337-11342 Mots-clés : Property structure relationship Résumé : In this paper, quantitative structure―property relationship (QSPR) models have been developed to predict flash points for some common alcohols based on a data set of 151 components. With the use of the genetic function approximation (GFA) approach, four descriptors have been selected from a set of more than 1000 molecular descriptors. These selected descriptors were used as inputs for the adaptive neuro-fuzzy inference system (ANFIS) model The GFA model resulted in squared correlation coefficient values of 0.935 and 0.91 respectively for the training and test sets, whereas ANFIS resulted in the values of 0.959 and 0.951 for the training and test sets, respectively. However, the linear and nonlinear models can give satisfactory prediction results, but the ANFIS model is somewhat superior. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573330

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Supported monoethanolamine for CO2 separation / Zhuoyan Sun in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11343-11349 Titre : Supported monoethanolamine for CO2 separation Type de document : texte imprimé Auteurs : Zhuoyan Sun, Auteur ; Maohong Fan, Auteur ; Morris Argyle, Auteur Année de publication : 2011 Article en page(s) : pp. 11343-11349 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Carbon dioxide Résumé : An alternative method for using monoethanolamine (MEA) in CO2 separation is developed from the viewpoints of the MEA―CO2 reaction environment and the process of spent sorbent regeneration. MEA―TiO2 (MT) CO2 sorbent is synthesized using pure MEA and a support material, TiO2. The performance of the MT sorbent on CO2 separation was investigated in tubular reactors under various experimental conditions. The sorption capacity of the MT sorbent reached 1.09 mol-CO2/kg-MT at 45 wt % MEA. However, an optimum of 40 wt % MEA loading was chosen for most of the sorption tests. Temperature affected the CO2 sorption capacity considerably, with optimum values of 45 °C for adsorption and 90 °C for regeneration, while humidity had a small positive effect. TiO(OH)2 appears to be the best support material for MEA, but more evaluation is needed. The MT sorbent is regenerable, with a multicyde sorption capacity of ∼0.91 mol-CO2/kg-MT under the given experimental conditions. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573331 [article] Supported monoethanolamine for CO2 separation [texte imprimé] / Zhuoyan Sun, Auteur ; Maohong Fan, Auteur ; Morris Argyle, Auteur . - 2011 . - pp. 11343-11349. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11343-11349 Mots-clés : Carbon dioxide Résumé : An alternative method for using monoethanolamine (MEA) in CO2 separation is developed from the viewpoints of the MEA―CO2 reaction environment and the process of spent sorbent regeneration. MEA―TiO2 (MT) CO2 sorbent is synthesized using pure MEA and a support material, TiO2. The performance of the MT sorbent on CO2 separation was investigated in tubular reactors under various experimental conditions. The sorption capacity of the MT sorbent reached 1.09 mol-CO2/kg-MT at 45 wt % MEA. However, an optimum of 40 wt % MEA loading was chosen for most of the sorption tests. Temperature affected the CO2 sorption capacity considerably, with optimum values of 45 °C for adsorption and 90 °C for regeneration, while humidity had a small positive effect. TiO(OH)2 appears to be the best support material for MEA, but more evaluation is needed. The MT sorbent is regenerable, with a multicyde sorption capacity of ∼0.91 mol-CO2/kg-MT under the given experimental conditions. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573331

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Carbon capture and mineralization in singapore / Hsien H. Khoo in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11350-11357 Titre : Carbon capture and mineralization in singapore : preliminary environmental impacts and costs via LCA Type de document : texte imprimé Auteurs : Hsien H. Khoo, Auteur ; Paul N. Sharratt, Auteur ; Jie Bu, Auteur Année de publication : 2011 Article en page(s) : pp. 11350-11357 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Life cycle (environment) Environment impact Mineralization Résumé : The total energy and CO2 emissions of a mineral carbonation process are investigated using a life cycle assessment (LCA). The LCA investigation takes into account the energy and greenhouse gas emissions from mineral mining operations and shipment from Australia, the recovery of CO2 based on amine scrubbing technology (if required), and two possible options for mineral carbonation in Singapore where the final carbonate products have potential use in the construction industry and as land reclamation material. Four scenarios were investigated ― the first two with CO2 recovery via amine scrubbing prior to mineralization and the last two with direct mineralization of CO2 from the NGCC flue gas. The most promising options turned out to be scenarios 3 and 4 ― these cases result in 215 and 154 kg of CO2 avoided per 1 MWh, respectively. Scenario 1 results in 90 kg of CO2 avoided per I MWh. The life cycle costing results are 70.6―80.8 USD/tonne CO2 avoided for scenario 3 and 19.9―159.1 USD/tonne CO2 avoided for scenario 4. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573332 [article] Carbon capture and mineralization in singapore : preliminary environmental impacts and costs via LCA [texte imprimé] / Hsien H. Khoo, Auteur ; Paul N. Sharratt, Auteur ; Jie Bu, Auteur . - 2011 . - pp. 11350-11357. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11350-11357 Mots-clés : Life cycle (environment) Environment impact Mineralization Résumé : The total energy and CO2 emissions of a mineral carbonation process are investigated using a life cycle assessment (LCA). The LCA investigation takes into account the energy and greenhouse gas emissions from mineral mining operations and shipment from Australia, the recovery of CO2 based on amine scrubbing technology (if required), and two possible options for mineral carbonation in Singapore where the final carbonate products have potential use in the construction industry and as land reclamation material. Four scenarios were investigated ― the first two with CO2 recovery via amine scrubbing prior to mineralization and the last two with direct mineralization of CO2 from the NGCC flue gas. The most promising options turned out to be scenarios 3 and 4 ― these cases result in 215 and 154 kg of CO2 avoided per 1 MWh, respectively. Scenario 1 results in 90 kg of CO2 avoided per I MWh. The life cycle costing results are 70.6―80.8 USD/tonne CO2 avoided for scenario 3 and 19.9―159.1 USD/tonne CO2 avoided for scenario 4. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573332

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Investigation of discrete population balance models and breakage kernels for dilute emulsification systems / Per Julian Becker in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11358-11374 Titre : Investigation of discrete population balance models and breakage kernels for dilute emulsification systems Type de document : texte imprimé Auteurs : Per Julian Becker, Auteur ; François Puel, Auteur ; Reynald Henry, Auteur Année de publication : 2011 Article en page(s) : pp. 11358-11374 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Emulsification Modeling Population balance Résumé : A novel in situ video probe with automated image analysis was used to develop a population balance model for a breakage-dominated liquid―liquid emulsification system. Experiments were performed in a 2 L tank, agitated by an axial flow propeller. The dispersed phase (ethylene glycol distearate) concentration was varied from 0.2 to 1.0% (w/w), and agitation rates were varied from 0.2 to 0.5 W/kg, in the presence of excess surfactant. Three numerical discretization methods were compared: fixed pivot, cell average, and finite volumes. The latter was then chosen for the subsequent simulations due to its rapidity and higher precision. An investigation of the different theories for bubble/droplet breakage was done and the frequencies (or breakage rate kernels) were compared. Four models were found applicable: the models developed by Coulaloglou and Tavlarides (Coulaloglou, C. A.; Tavlarides, L. L. Chem. Eng. Sci. 1977, 32, 1289); Sathyagal and Ramkrishna (Sathyagal, A. N.; Ramkrishna, D. Chem. Eng. Sci. 1996, 51, 1377); Alopaeus, Koskinen, and Keskinen (Alopaeus, V.; Koskinen, J.; Keskinen, K. L Chem. Eng. Sci. 1999, 54, 5887); and Baldyga and Podgorska (Baldyga, J.; Podgorska, W. Can. J. Chem. Eng. 1998, 76, 456). The one by Sathygal and Ramkrishna included the daughter size distribution. A log-normal daughter size distribution was chosen for the models by Coulaloglou and Tavlarides and Alopeus et al. Also, a normal distribution was used in the model by Baldyga and Podgorska. These models were compared with the experimental data to allow parameter identification. The model by Baldyga and Podgorska was found to give the best prediction of the shape of the distribution, its mean diameter, and standard deviation. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573333 [article] Investigation of discrete population balance models and breakage kernels for dilute emulsification systems [texte imprimé] / Per Julian Becker, Auteur ; François Puel, Auteur ; Reynald Henry, Auteur . - 2011 . - pp. 11358-11374. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11358-11374 Mots-clés : Emulsification Modeling Population balance Résumé : A novel in situ video probe with automated image analysis was used to develop a population balance model for a breakage-dominated liquid―liquid emulsification system. Experiments were performed in a 2 L tank, agitated by an axial flow propeller. The dispersed phase (ethylene glycol distearate) concentration was varied from 0.2 to 1.0% (w/w), and agitation rates were varied from 0.2 to 0.5 W/kg, in the presence of excess surfactant. Three numerical discretization methods were compared: fixed pivot, cell average, and finite volumes. The latter was then chosen for the subsequent simulations due to its rapidity and higher precision. An investigation of the different theories for bubble/droplet breakage was done and the frequencies (or breakage rate kernels) were compared. Four models were found applicable: the models developed by Coulaloglou and Tavlarides (Coulaloglou, C. A.; Tavlarides, L. L. Chem. Eng. Sci. 1977, 32, 1289); Sathyagal and Ramkrishna (Sathyagal, A. N.; Ramkrishna, D. Chem. Eng. Sci. 1996, 51, 1377); Alopaeus, Koskinen, and Keskinen (Alopaeus, V.; Koskinen, J.; Keskinen, K. L Chem. Eng. Sci. 1999, 54, 5887); and Baldyga and Podgorska (Baldyga, J.; Podgorska, W. Can. J. Chem. Eng. 1998, 76, 456). The one by Sathygal and Ramkrishna included the daughter size distribution. A log-normal daughter size distribution was chosen for the models by Coulaloglou and Tavlarides and Alopeus et al. Also, a normal distribution was used in the model by Baldyga and Podgorska. These models were compared with the experimental data to allow parameter identification. The model by Baldyga and Podgorska was found to give the best prediction of the shape of the distribution, its mean diameter, and standard deviation. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573333

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Artificial neural networks applied for simultaneous analysis of mixtures of nitrophenols by conductometric acid — base titration / Gholamhossein Rounaghi in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11375-11381 Titre : Artificial neural networks applied for simultaneous analysis of mixtures of nitrophenols by conductometric acid — base titration Type de document : texte imprimé Auteurs : Gholamhossein Rounaghi, Auteur ; Roya Mohammad Zadeh Kakhki, Auteur ; Tahereh Heidari, Auteur Année de publication : 2011 Article en page(s) : pp. 11375-11381 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Neural network Résumé : In this study, the simultaneous conductometric titration method for determination of mixtures of 4-nitrophenol, 2,4-dinitrophenol, and 2,4,6- trinitrophenol based on principal component artificial neural network (ANN) calibration model was proposed. The three-layered feed-forward ANN trained by back-propagation learning was used to model the complex nonlinear relationship between the concentration of 4-nitrophenol, 2,4-dinitrophenol, and 2,4,6-trinitrophenol in their ternary mixtures and the conductance of the solutions at different volumes of titrant. The principal components of the conductance matrix were used as the input of the network. The network architecture and parameters were optimized to give low prediction error. The optimized networks predicted the concentrations of nitrophenols in synthetic mixtures. The results showed that the usedANN can proceed the titration data with low relative prediction errors (5.53%, 4.03%, and 4.71% for 4-nitrophenol, 2,4-dinitrophenol, and 2,4,6-trinitrophenol, respectively) and satisfactory recoveries. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573334 [article] Artificial neural networks applied for simultaneous analysis of mixtures of nitrophenols by conductometric acid — base titration [texte imprimé] / Gholamhossein Rounaghi, Auteur ; Roya Mohammad Zadeh Kakhki, Auteur ; Tahereh Heidari, Auteur . - 2011 . - pp. 11375-11381. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11375-11381 Mots-clés : Neural network Résumé : In this study, the simultaneous conductometric titration method for determination of mixtures of 4-nitrophenol, 2,4-dinitrophenol, and 2,4,6- trinitrophenol based on principal component artificial neural network (ANN) calibration model was proposed. The three-layered feed-forward ANN trained by back-propagation learning was used to model the complex nonlinear relationship between the concentration of 4-nitrophenol, 2,4-dinitrophenol, and 2,4,6-trinitrophenol in their ternary mixtures and the conductance of the solutions at different volumes of titrant. The principal components of the conductance matrix were used as the input of the network. The network architecture and parameters were optimized to give low prediction error. The optimized networks predicted the concentrations of nitrophenols in synthetic mixtures. The results showed that the usedANN can proceed the titration data with low relative prediction errors (5.53%, 4.03%, and 4.71% for 4-nitrophenol, 2,4-dinitrophenol, and 2,4,6-trinitrophenol, respectively) and satisfactory recoveries. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573334

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Solubility parameters of nonelectrolyte organic compounds / Farhad Gharagheizi in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11382-11395 Titre : Solubility parameters of nonelectrolyte organic compounds : determination using quantitative structure — property relationship strategy Type de document : texte imprimé Auteurs : Farhad Gharagheizi, Auteur ; Ali Eslamimanesh, Auteur ; Farhad Farjood, Auteur Année de publication : 2011 Article en page(s) : pp. 11382-11395 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Property structure relationship Solubility Résumé : The solubility parameter is considered to be a significant parameter for the chemical industry. In this study, the quantitative structure―property relationship (QSPR) method is applied to develop three models for determination of the solubility parameters of pure nonelectrolyte organic compounds at 298.15 K and atmospheric pressure. To propose comprehensive, reliable, and predictive models, about 1400 data belonging to experimental solubility parameter values of various nonelectrolyte organic compounds are studied The genetic function approximation (GFA) mathematical approach is applied for selection ofproper model parameters (molecular descriptors) and to develop a linear QSPR model. To study the nonlinear relations between the selected molecular descriptors and the solubility parameter, two approaches are pursued: the three-layer feed forward artificial neural networks (3FFANN) and the least square support vector machine (LSSVM). Furthermore, the Levenberg―Marquardt (LM) and genetic algorithm (GA) optimization methods are respectively implemented to optimize the 3FFANN and LSSVM models. Consequently, we obtain three predictive models with satisfactory results quantified by the following statistical parameters: absolute average relative deviation (AARD) of the represented/predicted properties from existing experimental values by the GFA linear equation of 4.6% and squared correlation coefficient of 0.896; AARD of the QSPR-ANN model of 3.4% and squared correlation coefficient of 0.941; and AARD of 3.1% and squared correlation coefficient of 0.947 evaluated by the QSPR-LSSVM modeL. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573335 [article] Solubility parameters of nonelectrolyte organic compounds : determination using quantitative structure — property relationship strategy [texte imprimé] / Farhad Gharagheizi, Auteur ; Ali Eslamimanesh, Auteur ; Farhad Farjood, Auteur . - 2011 . - pp. 11382-11395. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11382-11395 Mots-clés : Property structure relationship Solubility Résumé : The solubility parameter is considered to be a significant parameter for the chemical industry. In this study, the quantitative structure―property relationship (QSPR) method is applied to develop three models for determination of the solubility parameters of pure nonelectrolyte organic compounds at 298.15 K and atmospheric pressure. To propose comprehensive, reliable, and predictive models, about 1400 data belonging to experimental solubility parameter values of various nonelectrolyte organic compounds are studied The genetic function approximation (GFA) mathematical approach is applied for selection ofproper model parameters (molecular descriptors) and to develop a linear QSPR model. To study the nonlinear relations between the selected molecular descriptors and the solubility parameter, two approaches are pursued: the three-layer feed forward artificial neural networks (3FFANN) and the least square support vector machine (LSSVM). Furthermore, the Levenberg―Marquardt (LM) and genetic algorithm (GA) optimization methods are respectively implemented to optimize the 3FFANN and LSSVM models. Consequently, we obtain three predictive models with satisfactory results quantified by the following statistical parameters: absolute average relative deviation (AARD) of the represented/predicted properties from existing experimental values by the GFA linear equation of 4.6% and squared correlation coefficient of 0.896; AARD of the QSPR-ANN model of 3.4% and squared correlation coefficient of 0.941; and AARD of 3.1% and squared correlation coefficient of 0.947 evaluated by the QSPR-LSSVM modeL. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573335

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Modeling solubility of polycyclic aromatic compounds in subcritical water / Victor H. Alvarez in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11396-11405 Titre : Modeling solubility of polycyclic aromatic compounds in subcritical water Type de document : texte imprimé Auteurs : Victor H. Alvarez, Auteur ; Marleny D. A. Saldana, Auteur Année de publication : 2011 Article en page(s) : pp. 11396-11405 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Solubility Modeling Résumé : Polycyclic aromatic compounds (PACs) are common environmental contaminants associated with oil spills and the incomplete combustion of organic materials. PAC solubility in water is a fundamental property for environmental studies, and modeling of these data improve the process of environmental risk assessment. In this study, seven models (UNIQUAC, local surface Guggenheim, NRTL, regular solution, Wilson, Van Laar, and a modified Van Laar model) for correlations and prediction of aqueous solubilities of 22 PACs were evaluated. The results using models based on Guggenheim's method showed that the local surface Guggenheim model provided a better correlation than the UNIQUAC model. For the systems studied, the best correlations were obtained with NRTL, Van Laar, and modified Van Laar models with mean deviations of 17.1, 14.3, and 14.5%, respectively. The predicted solubilities using NRTL and modified Van Laar models provided mean deviations of 44.1 and 47.1%, respectively. The sensitivity analysis showed that the correlations using the NRTL model are slightly influenced by variations up to 20% of the triple-point temperature and molar enthalpy of fusion of the solute. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573336 [article] Modeling solubility of polycyclic aromatic compounds in subcritical water [texte imprimé] / Victor H. Alvarez, Auteur ; Marleny D. A. Saldana, Auteur . - 2011 . - pp. 11396-11405. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11396-11405 Mots-clés : Solubility Modeling Résumé : Polycyclic aromatic compounds (PACs) are common environmental contaminants associated with oil spills and the incomplete combustion of organic materials. PAC solubility in water is a fundamental property for environmental studies, and modeling of these data improve the process of environmental risk assessment. In this study, seven models (UNIQUAC, local surface Guggenheim, NRTL, regular solution, Wilson, Van Laar, and a modified Van Laar model) for correlations and prediction of aqueous solubilities of 22 PACs were evaluated. The results using models based on Guggenheim's method showed that the local surface Guggenheim model provided a better correlation than the UNIQUAC model. For the systems studied, the best correlations were obtained with NRTL, Van Laar, and modified Van Laar models with mean deviations of 17.1, 14.3, and 14.5%, respectively. The predicted solubilities using NRTL and modified Van Laar models provided mean deviations of 44.1 and 47.1%, respectively. The sensitivity analysis showed that the correlations using the NRTL model are slightly influenced by variations up to 20% of the triple-point temperature and molar enthalpy of fusion of the solute. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573336

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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]  inIndustrial & 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 [...]

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Semi - theoretical versus entirely empirical / Ilya Polishuk in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11422-11431 Titre : Semi - theoretical versus entirely empirical : comparing SAFT + cubic and soave - benedict - webb - rubin (SBWR) equations of state Type de document : texte imprimé Auteurs : Ilya Polishuk, Auteur Année de publication : 2011 Article en page(s) : pp. 11422-11431 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Thermodynamic properties Equations of state Résumé : In the current study, the Soave―Benedict―Webb―Rubin (SBWR) and Statistical Association Fluid Theory (SAFT) + Cubic equation-of-state (EOS) models are implemented for predicting thermodynamic properties of the mixtures of 1-decanol with n-alkanes, cyclohexane, chloroform, and chlorobenzene. The pertinent pure compound density and sound velocity data in a broad pressure range also are considered. It is demonstrated that the SBWRmodel is advantageous in modeling the pure-compound vapor pressures and phase envelop densities. However, it fails to estimate other thermodynamic properties, such as the high-pressure densities, sound velocities, and isentropic compressibilites accurately. Being less precise in modeling the pure-compound vapor-liquid equilibrium (VLE), the SAFT + Cubic model exhibits an overall robustness in predicting various thermodynamic properties over a wide range oftemperatures and pressures, with the exception of certain phenomena related to heat capacities. This robustness also is preserved in the case of the mixtures. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573338 [article] Semi - theoretical versus entirely empirical : comparing SAFT + cubic and soave - benedict - webb - rubin (SBWR) equations of state [texte imprimé] / Ilya Polishuk, Auteur . - 2011 . - pp. 11422-11431. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11422-11431 Mots-clés : Thermodynamic properties Equations of state Résumé : In the current study, the Soave―Benedict―Webb―Rubin (SBWR) and Statistical Association Fluid Theory (SAFT) + Cubic equation-of-state (EOS) models are implemented for predicting thermodynamic properties of the mixtures of 1-decanol with n-alkanes, cyclohexane, chloroform, and chlorobenzene. The pertinent pure compound density and sound velocity data in a broad pressure range also are considered. It is demonstrated that the SBWRmodel is advantageous in modeling the pure-compound vapor pressures and phase envelop densities. However, it fails to estimate other thermodynamic properties, such as the high-pressure densities, sound velocities, and isentropic compressibilites accurately. Being less precise in modeling the pure-compound vapor-liquid equilibrium (VLE), the SAFT + Cubic model exhibits an overall robustness in predicting various thermodynamic properties over a wide range oftemperatures and pressures, with the exception of certain phenomena related to heat capacities. This robustness also is preserved in the case of the mixtures. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573338

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Effect of concentration of aminopropyl groups on the surface of MCM - 41 on adsorption of Cu2+ / Manu Vasudevan in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11432-11439 Titre : Effect of concentration of aminopropyl groups on the surface of MCM - 41 on adsorption of Cu2+ Type de document : texte imprimé Auteurs : Manu Vasudevan, Auteur ; Praful L. Sakaria, Auteur ; Adarsh S. Bhatt, Auteur Année de publication : 2011 Article en page(s) : pp. 11432-11439 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Adsorption Résumé : MCM-41 synthesized at room temperature was functionalized with aminopropyltrimethoxysilane (APTMS). The functionalized MCM-41 were characterized by powder X-ray diffraction, scanning electron micrography (SEM), transmission electron-microscopy (TEM), nitrogen adsorption―desorption, and carbon, nitrogen, and hydrogen (CHN) analysis. X-ray diffraction patterns indicate that the modified materials retain the structure of MCM-41. An increase in surface concentration of aminopropyl groups (0.7 to 1.9 mmol/g) resulted in a decrease in the surface area, BJH pore size, and total pore volume. Studies on the adsorption of Cu2+ on these samples showed the Langmuir type adsorption isotherms. The value of the Langmuir monolayer capacity of Cu2+ adsorption increased linearly with an increase in the surface concentration of the amino group. The NH2/Cu2+ mole ratio increased from ∼1.5 to ∼2 when the concentration of the amino group increased from 0.71 to 1.42 mmol/g and remained almost the same for higher concentrations. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573339 [article] Effect of concentration of aminopropyl groups on the surface of MCM - 41 on adsorption of Cu2+ [texte imprimé] / Manu Vasudevan, Auteur ; Praful L. Sakaria, Auteur ; Adarsh S. Bhatt, Auteur . - 2011 . - pp. 11432-11439. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11432-11439 Mots-clés : Adsorption Résumé : MCM-41 synthesized at room temperature was functionalized with aminopropyltrimethoxysilane (APTMS). The functionalized MCM-41 were characterized by powder X-ray diffraction, scanning electron micrography (SEM), transmission electron-microscopy (TEM), nitrogen adsorption―desorption, and carbon, nitrogen, and hydrogen (CHN) analysis. X-ray diffraction patterns indicate that the modified materials retain the structure of MCM-41. An increase in surface concentration of aminopropyl groups (0.7 to 1.9 mmol/g) resulted in a decrease in the surface area, BJH pore size, and total pore volume. Studies on the adsorption of Cu2+ on these samples showed the Langmuir type adsorption isotherms. The value of the Langmuir monolayer capacity of Cu2+ adsorption increased linearly with an increase in the surface concentration of the amino group. The NH2/Cu2+ mole ratio increased from ∼1.5 to ∼2 when the concentration of the amino group increased from 0.71 to 1.42 mmol/g and remained almost the same for higher concentrations. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573339

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Regioselective mononitration of aromatic compounds using keggin heteropolyacid anion based bronsted acidic ionic salts / Hongwei Yang in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11440-11444 Titre : Regioselective mononitration of aromatic compounds using keggin heteropolyacid anion based bronsted acidic ionic salts Type de document : texte imprimé Auteurs : Hongwei Yang, Auteur ; Xiufang Qi, Auteur ; Liang Wen, Auteur Année de publication : 2011 Article en page(s) : pp. 11440-11444 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Aromatic compounds Acidic ionic salts Résumé : Novel Keggin heteropolyacid anion based Brønsted acidic ionic salts [SO3H(CH2)4Mim]nH3–nPMo12O40 (n = 1, 2, 3) were synthesized and used as catalysts in the nitration of aromatic compound in HNO3 (67%). The catalytic activity was in the order of [(CH2)4SO3HMim]3PMo12O40 > [(CH2)4SO3HMim]2HPMo12O40 > [(CH2)4SO3HMim]H2PMo12O40. The effect of catalyst loading, quantity of nitro acid and temperature on nitration of toluene was discussed, and 87.7% yield and good para selectivity with 1.19 ratio of ortho to para can be obtained with optimized catalyst [(CH2)4SO3HMim]3PMo12O40. The catalyst can be easily separated from the products and recycled for three times without significant loss of activity. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201028d [article] Regioselective mononitration of aromatic compounds using keggin heteropolyacid anion based bronsted acidic ionic salts [texte imprimé] / Hongwei Yang, Auteur ; Xiufang Qi, Auteur ; Liang Wen, Auteur . - 2011 . - pp. 11440-11444. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11440-11444 Mots-clés : Aromatic compounds Acidic ionic salts Résumé : Novel Keggin heteropolyacid anion based Brønsted acidic ionic salts [SO3H(CH2)4Mim]nH3–nPMo12O40 (n = 1, 2, 3) were synthesized and used as catalysts in the nitration of aromatic compound in HNO3 (67%). The catalytic activity was in the order of [(CH2)4SO3HMim]3PMo12O40 > [(CH2)4SO3HMim]2HPMo12O40 > [(CH2)4SO3HMim]H2PMo12O40. The effect of catalyst loading, quantity of nitro acid and temperature on nitration of toluene was discussed, and 87.7% yield and good para selectivity with 1.19 ratio of ortho to para can be obtained with optimized catalyst [(CH2)4SO3HMim]3PMo12O40. The catalyst can be easily separated from the products and recycled for three times without significant loss of activity. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201028d

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Formation of ruthenium nanoparticles by the mixing of two reactive microemulsions / Sachin U. Nandanwar in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11445-11451 Titre : Formation of ruthenium nanoparticles by the mixing of two reactive microemulsions Type de document : texte imprimé Auteurs : Sachin U. Nandanwar, Auteur ; Mousumi Chakraborty, Auteur ; Z. V. P. Murthy, Auteur Année de publication : 2011 Article en page(s) : pp. 11445-11451 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Microemulsion Mixing Nanoparticle Résumé : In this study, two reactants (ruthenium chloride and sodium borohydrate) were premicellized in two separate microemulsions and brought into contact through intermicellar exchange to conduct the reaction. As a result, ruthenium nanoparticles were formed. The overall reaction rate was governed by the intermicellar exchange rate. Particle size was controlled by varying surfactant concentration, water-to-surfactant molar ratio (ω), precursor (ruthenium chloride) concentration, and molar ratio of reducing agent-to-reagent (R). Dynamic light scattering and transmission electron microscopy were used to determine the size, size distribution, and structure of the synthesized ruthenium nanoparticles. The molar ratio ω was varied from 3 to 7; sizes of the particles were found to be in the range of 17.08―25.09 nm. The precursor (ruthenium chloride) concentration was varied in the range of 0.1―0.3 M; particle size was observed to decrease up to 0.2 M then increase due to particle agglomeration at higher precursor concentrations. Smaller nanoparticles were obtained at higher R values due to faster intramicellar nucleation and growth rate. Dispersion destabilization of colloidal ruthenium nanoparticles was detected by Turbiscan. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573341 [article] Formation of ruthenium nanoparticles by the mixing of two reactive microemulsions [texte imprimé] / Sachin U. Nandanwar, Auteur ; Mousumi Chakraborty, Auteur ; Z. V. P. Murthy, Auteur . - 2011 . - pp. 11445-11451. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11445-11451 Mots-clés : Microemulsion Mixing Nanoparticle Résumé : In this study, two reactants (ruthenium chloride and sodium borohydrate) were premicellized in two separate microemulsions and brought into contact through intermicellar exchange to conduct the reaction. As a result, ruthenium nanoparticles were formed. The overall reaction rate was governed by the intermicellar exchange rate. Particle size was controlled by varying surfactant concentration, water-to-surfactant molar ratio (ω), precursor (ruthenium chloride) concentration, and molar ratio of reducing agent-to-reagent (R). Dynamic light scattering and transmission electron microscopy were used to determine the size, size distribution, and structure of the synthesized ruthenium nanoparticles. The molar ratio ω was varied from 3 to 7; sizes of the particles were found to be in the range of 17.08―25.09 nm. The precursor (ruthenium chloride) concentration was varied in the range of 0.1―0.3 M; particle size was observed to decrease up to 0.2 M then increase due to particle agglomeration at higher precursor concentrations. Smaller nanoparticles were obtained at higher R values due to faster intramicellar nucleation and growth rate. Dispersion destabilization of colloidal ruthenium nanoparticles was detected by Turbiscan. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573341

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Ice – clathrate hydrate – gas phase equilibria for argon + water and carbon dioxide + water systems / Amir H. Mohammadi in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11452-11454 Titre : Ice – clathrate hydrate – gas phase equilibria for argon + water and carbon dioxide + water systems Type de document : texte imprimé Auteurs : Amir H. Mohammadi, Auteur ; Dominique Richon, Auteur Année de publication : 2011 Article en page(s) : pp. 11452-11454 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Carbon dioxide Phase equilibrium Clathrate Résumé : In this communication, we report ice―clathrate hydrate―gas equilibrium data (dissociation data) for the argon + water and carbon dioxide + water systems in the temperature ranges of (264.3―271.2) and (260.2―270.7) K, respectively. The equilibrium data were generated using an isothermal pressure-search method. The new equilibrium data for carbon dioxide clathrate hydrates are compared with the equilibrium data reported in the literature to demonstrate the reliability of the experimental technique used in this work. The equilibrium data generated for argon clathrate hydrates are compared with a few sets of experimental data reported in the literature. It is found that such data for the latter clathrate hydrate are indeed scarce in the temperature range studied in our work. A comparison is finally made on the equilibrium conditions of argon, air, oxygen, nitrogen, and carbon monoxide clathrate hydrates. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573342 [article] Ice – clathrate hydrate – gas phase equilibria for argon + water and carbon dioxide + water systems [texte imprimé] / Amir H. Mohammadi, Auteur ; Dominique Richon, Auteur . - 2011 . - pp. 11452-11454. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11452-11454 Mots-clés : Carbon dioxide Phase equilibrium Clathrate Résumé : In this communication, we report ice―clathrate hydrate―gas equilibrium data (dissociation data) for the argon + water and carbon dioxide + water systems in the temperature ranges of (264.3―271.2) and (260.2―270.7) K, respectively. The equilibrium data were generated using an isothermal pressure-search method. The new equilibrium data for carbon dioxide clathrate hydrates are compared with the equilibrium data reported in the literature to demonstrate the reliability of the experimental technique used in this work. The equilibrium data generated for argon clathrate hydrates are compared with a few sets of experimental data reported in the literature. It is found that such data for the latter clathrate hydrate are indeed scarce in the temperature range studied in our work. A comparison is finally made on the equilibrium conditions of argon, air, oxygen, nitrogen, and carbon monoxide clathrate hydrates. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24573342

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Molecular Simulation Prediction of Sound Velocity for a Binary Mixture near Miscible Conditions / Babak Fazelabdolabadi in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11459-11461 Titre : Molecular Simulation Prediction of Sound Velocity for a Binary Mixture near Miscible Conditions Type de document : texte imprimé Auteurs : Babak Fazelabdolabadi, Auteur ; Alireza Bahramian, Auteur Année de publication : 2011 Article en page(s) : pp. 11459-11461 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Molecular Simulation Résumé : The speed of sound was computed via Monte Carlo simulation for a binary mixture of methane and n-butane in the subcritical, near-critical, and supercritical regions at the temperature of 311 K. The technique encompasses a sequential implementation of the isobaric−isothermal and canonical ensembles in a simulation box, in which the (residual) thermodynamic derivative properties are evaluated via the fluctuation method [Escobedo, F. A. J. Chem. Phys. 1998, 108, 8761] during the Monte Carlo moves. A united atom Lennard-Jones potential with parameters proposed by Möller et al. [Möller, D. et al. Mol. Phys. 1992, 75, 363] was chosen to represent methane. In case of n-butane, we employed an optimized anisotropic united atom intermolecular Lennard-Jones description of Ungerer et al. [Ungerer, P. et al. J. Chem. Phys., 2000, 112, 5499]. In decent agreement with the experiment, we find the technique to provide reasonably quantitative estimates for the speed of sound in the thermodynamic regions studied. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901422a [article] Molecular Simulation Prediction of Sound Velocity for a Binary Mixture near Miscible Conditions [texte imprimé] / Babak Fazelabdolabadi, Auteur ; Alireza Bahramian, Auteur . - 2011 . - pp. 11459-11461. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 19 (Octobre 2011) . - pp. 11459-11461 Mots-clés : Molecular Simulation Résumé : The speed of sound was computed via Monte Carlo simulation for a binary mixture of methane and n-butane in the subcritical, near-critical, and supercritical regions at the temperature of 311 K. The technique encompasses a sequential implementation of the isobaric−isothermal and canonical ensembles in a simulation box, in which the (residual) thermodynamic derivative properties are evaluated via the fluctuation method [Escobedo, F. A. J. Chem. Phys. 1998, 108, 8761] during the Monte Carlo moves. A united atom Lennard-Jones potential with parameters proposed by Möller et al. [Möller, D. et al. Mol. Phys. 1992, 75, 363] was chosen to represent methane. In case of n-butane, we employed an optimized anisotropic united atom intermolecular Lennard-Jones description of Ungerer et al. [Ungerer, P. et al. J. Chem. Phys., 2000, 112, 5499]. In decent agreement with the experiment, we find the technique to provide reasonably quantitative estimates for the speed of sound in the thermodynamic regions studied. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901422a

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