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Vol. 51 N° 44 - Novembre 2012 [texte imprimé] . - 2013 . - p. 14317-14582 : ill. ; 28 cm. Chemical engineering Langues : Anglais (eng)
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Ajouter le résultat dans votre panierAssessing the chemical speciation during CO2 absorption by aqueous amines using in situ FTIR / Gilles Richner in Industrial & engineering chemistry research, Vol. 51 N° 44 (Novembre 2012)
Titre : Assessing the chemical speciation during CO2 absorption by aqueous amines using in situ FTIR Type de document : texte imprimé Auteurs : Gilles Richner, Auteur ; Graeme Puxty, Auteur Année de publication : 2013 Article en page(s) : pp. 14317-14324 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : In situ Gas absorption Carbon dioxide Speciation Résumé : During amine scrubbing of CO2 from flue gas, carbamate and bicarbonate species are formed, the amount of which is directly related to the process performance. In this study we present a fast calibration-free spectroscopic technique for determining the speciation of CO2―H2O―alkanolamine systems and in turn the amine protonation and carbamate thermodynamic equilibrium constants. The method is based on in situ infrared monitoring of the liquid phase during CO2 absorption by an aqueous amine solution in a stirred vessel, combined with mathematical hard modeling of the reaction mechanism. The species concentrations are calculated by fitting of a thermodynamic model to multivariate spectroscopic measurements using nonlinear regression. Successful applications include the determination of the amine protonation and carbamate equilibrium constants of one primary (MEA), one secondary (DEA), and one sterically hindered primary (AMP) amine at 40 °C. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620344
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14317-14324[article] Assessing the chemical speciation during CO2 absorption by aqueous amines using in situ FTIR [texte imprimé] / Gilles Richner, Auteur ; Graeme Puxty, Auteur . - 2013 . - pp. 14317-14324.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14317-14324
Mots-clés : In situ Gas absorption Carbon dioxide Speciation Résumé : During amine scrubbing of CO2 from flue gas, carbamate and bicarbonate species are formed, the amount of which is directly related to the process performance. In this study we present a fast calibration-free spectroscopic technique for determining the speciation of CO2―H2O―alkanolamine systems and in turn the amine protonation and carbamate thermodynamic equilibrium constants. The method is based on in situ infrared monitoring of the liquid phase during CO2 absorption by an aqueous amine solution in a stirred vessel, combined with mathematical hard modeling of the reaction mechanism. The species concentrations are calculated by fitting of a thermodynamic model to multivariate spectroscopic measurements using nonlinear regression. Successful applications include the determination of the amine protonation and carbamate equilibrium constants of one primary (MEA), one secondary (DEA), and one sterically hindered primary (AMP) amine at 40 °C. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620344 Exemplaires
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Titre : Mechanistic study of trapping of NO by 3,5-dibromo-4-nitrosobenzene sulfonate Type de document : texte imprimé Auteurs : Wendy K. P. F. Venpin, Auteur ; Eric M. Kennedy, Auteur ; John C. Mackie, Auteur Année de publication : 2013 Article en page(s) : pp. 14325-14336 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Trapping Résumé : The aromatic spin trap 3,5-dibromo-4-nitrosobenzene sulfonate (DBNBS) is an efficient nitric oxide scavenger that has the potential to be employed for the control of NOx emissions from industrial processes. In the present study, we examined the in situ reaction of DBNBS with nitric oxide (NO), generated via the reduction of nitrite under acidic conditions at room temperature. Significant quantities of N2 were detected during the reaction using the membrane inlet mass spectrometer (MIMS), which suggested the homolytic cleavage of the C—N bond of a diazenyl radical, formed by decomposition of a DBNBS-NO adduct is a key reaction step which occurs during trapping. Measurements by nanostructured assisted laser desorption ionization mass spectrometer (NALDI-MS) established that the primary product from the reaction was 3,4,5-trinitrobenzene sulfonate, with a molecular weight of 291.880 amu. The technique also disclosed the formation of other nitrobenzene products. The results obtained in the present study provide evidence of a new, competing reaction pathway occurring in the presence of added nitrite, whereby a nitro group is introduced in the aromatic system by coupling with a phenyl radical to yield a radical anion, which reacts readily with the electrophile N2O3, also present in the system. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620345
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14325-14336[article] Mechanistic study of trapping of NO by 3,5-dibromo-4-nitrosobenzene sulfonate [texte imprimé] / Wendy K. P. F. Venpin, Auteur ; Eric M. Kennedy, Auteur ; John C. Mackie, Auteur . - 2013 . - pp. 14325-14336.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14325-14336
Mots-clés : Trapping Résumé : The aromatic spin trap 3,5-dibromo-4-nitrosobenzene sulfonate (DBNBS) is an efficient nitric oxide scavenger that has the potential to be employed for the control of NOx emissions from industrial processes. In the present study, we examined the in situ reaction of DBNBS with nitric oxide (NO), generated via the reduction of nitrite under acidic conditions at room temperature. Significant quantities of N2 were detected during the reaction using the membrane inlet mass spectrometer (MIMS), which suggested the homolytic cleavage of the C—N bond of a diazenyl radical, formed by decomposition of a DBNBS-NO adduct is a key reaction step which occurs during trapping. Measurements by nanostructured assisted laser desorption ionization mass spectrometer (NALDI-MS) established that the primary product from the reaction was 3,4,5-trinitrobenzene sulfonate, with a molecular weight of 291.880 amu. The technique also disclosed the formation of other nitrobenzene products. The results obtained in the present study provide evidence of a new, competing reaction pathway occurring in the presence of added nitrite, whereby a nitro group is introduced in the aromatic system by coupling with a phenyl radical to yield a radical anion, which reacts readily with the electrophile N2O3, also present in the system. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620345 Exemplaires
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Titre : Toward navigating chemical space of ionic liquids : Prediction of melting points using generative topographic maps Type de document : texte imprimé Auteurs : Natalia Kireeva, Auteur ; Sergey L. Kuznetsov, Auteur ; Aslan Yu. Tsivadze, Auteur Année de publication : 2013 Article en page(s) : pp. 14337–14343 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Physical properties Ionic liquids Résumé : In this work, we apply generative topographic maps as a universal approach for data visualization and structure–property modeling of melting points (mp), which is one of the most important physical properties for the design and application of ionic liquids (ILs) as green solvents. Data visualization is part of a more general concept of chemography, which is a relatively new field dealing with visualization of chemical data, representation of chemical space, and navigation in this space. This field has received much attention by chemists as it may help to analyze and to intuitively comprehend relevant molecular features and relationships. In this study, to our knowledge for the first time, we proposed the universal approach that can be used both for the visualization of the chemical space of ILs according to their melting point values and for the development of the classification models able to predict the melting points of novel ILs. The structurally diverse data set of 717 ILs containing bromides of nitrogen-containing organic cations and including 126 pyridinium bromides (PYR), 384 imidazolium and benzoimidazolium bromides (IMZ), and 207 quaternary ammonium bromides (QUAT) was involved in model development. This study was carried out in several descriptor spaces analyzing the impact of descriptor choice. The clear criteria for data visualization and classification quality were used to assess the performance of the developed models. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3021895
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14337–14343[article] Toward navigating chemical space of ionic liquids : Prediction of melting points using generative topographic maps [texte imprimé] / Natalia Kireeva, Auteur ; Sergey L. Kuznetsov, Auteur ; Aslan Yu. Tsivadze, Auteur . - 2013 . - pp. 14337–14343.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14337–14343
Mots-clés : Physical properties Ionic liquids Résumé : In this work, we apply generative topographic maps as a universal approach for data visualization and structure–property modeling of melting points (mp), which is one of the most important physical properties for the design and application of ionic liquids (ILs) as green solvents. Data visualization is part of a more general concept of chemography, which is a relatively new field dealing with visualization of chemical data, representation of chemical space, and navigation in this space. This field has received much attention by chemists as it may help to analyze and to intuitively comprehend relevant molecular features and relationships. In this study, to our knowledge for the first time, we proposed the universal approach that can be used both for the visualization of the chemical space of ILs according to their melting point values and for the development of the classification models able to predict the melting points of novel ILs. The structurally diverse data set of 717 ILs containing bromides of nitrogen-containing organic cations and including 126 pyridinium bromides (PYR), 384 imidazolium and benzoimidazolium bromides (IMZ), and 207 quaternary ammonium bromides (QUAT) was involved in model development. This study was carried out in several descriptor spaces analyzing the impact of descriptor choice. The clear criteria for data visualization and classification quality were used to assess the performance of the developed models. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3021895 Exemplaires
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Titre : Continuous multitubular millireactor with a Cu thin film for microwave-assisted fine-chemical synthesis Type de document : texte imprimé Auteurs : Narendra G. Patil, Auteur ; Faysal Benaskar, Auteur ; Evgeny V. Rebrov, Auteur Année de publication : 2013 Article en page(s) : pp. 14344–14354 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Multitubular millireactor Résumé : The productivity of microwave-assisted continuous specialty chemical synthesis has been brought to a commercially interesting scale of 1 kg/day. To that end, a counter-current multitubular millireactor/heat exchanger (MTMR) assembly has been developed with the reactant flow through millitubular reactors, while the coolant flows in the shell side. The efficiency of microwave absorption under continuous operation in a single mode microwave cavity has been improved with the deposition of a thin (350 ± 40 nm) Cu film on the inner walls of the reactor tubes. This design ultimately resulted in an enhanced product (1,3-diphenyl-2-propynyl piperidine) yield of a multicomponent reaction (of piperidine, benzaldehyde, and phenylacetylene). The Cu film also improved the uniformity of microwave energy absorption in the reactor tubes along the radial direction. A near-isothermal operation was achieved by cooling with a counter-current flow of a microwave transparent coolant in the outer shell of the MTMR. A production rate of 333 ± 11 kgprod/(kgcat·h) was achieved in a single microwave cavity at 373 ± 5 K and at a total reactant flow rate of 1.66 × 10–9 m3/s. The average production rate of 1,3-diphenyl-2-propynyl piperidine in the MTMR assembly (six parallel tubes in a shell and tube reactor/heat exchanger) was 93% of the production rate in a single tube due to a slightly uneven flow and temperature distribution. Kinetically determined mean Cu film temperature was 477 ± 10 K. Although the reactor tubes were placed at an equal distance from axial symmetry (six parallel tubes in a hexagonal arrangement), a maximum temperature deviation of 8.0 ± 0.5 K was observed over the reactor tubes. The parallelization approach was demonstrated to be successful for scale up of continuously operated microwave reactors. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie300754z
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14344–14354[article] Continuous multitubular millireactor with a Cu thin film for microwave-assisted fine-chemical synthesis [texte imprimé] / Narendra G. Patil, Auteur ; Faysal Benaskar, Auteur ; Evgeny V. Rebrov, Auteur . - 2013 . - pp. 14344–14354.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14344–14354
Mots-clés : Multitubular millireactor Résumé : The productivity of microwave-assisted continuous specialty chemical synthesis has been brought to a commercially interesting scale of 1 kg/day. To that end, a counter-current multitubular millireactor/heat exchanger (MTMR) assembly has been developed with the reactant flow through millitubular reactors, while the coolant flows in the shell side. The efficiency of microwave absorption under continuous operation in a single mode microwave cavity has been improved with the deposition of a thin (350 ± 40 nm) Cu film on the inner walls of the reactor tubes. This design ultimately resulted in an enhanced product (1,3-diphenyl-2-propynyl piperidine) yield of a multicomponent reaction (of piperidine, benzaldehyde, and phenylacetylene). The Cu film also improved the uniformity of microwave energy absorption in the reactor tubes along the radial direction. A near-isothermal operation was achieved by cooling with a counter-current flow of a microwave transparent coolant in the outer shell of the MTMR. A production rate of 333 ± 11 kgprod/(kgcat·h) was achieved in a single microwave cavity at 373 ± 5 K and at a total reactant flow rate of 1.66 × 10–9 m3/s. The average production rate of 1,3-diphenyl-2-propynyl piperidine in the MTMR assembly (six parallel tubes in a shell and tube reactor/heat exchanger) was 93% of the production rate in a single tube due to a slightly uneven flow and temperature distribution. Kinetically determined mean Cu film temperature was 477 ± 10 K. Although the reactor tubes were placed at an equal distance from axial symmetry (six parallel tubes in a hexagonal arrangement), a maximum temperature deviation of 8.0 ± 0.5 K was observed over the reactor tubes. The parallelization approach was demonstrated to be successful for scale up of continuously operated microwave reactors. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie300754z Exemplaires
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Titre : Combustion characteristics and nitric oxide release of the pulverized coals under oxy-enrich conditions Type de document : texte imprimé Auteurs : Chunbo Wang, Auteur ; Ming Lei, Auteur ; Huimin Liu, Auteur Année de publication : 2013 Article en page(s) : pp. 14355-14360 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Coal Combustion Résumé : Instead of using pure oxygen in oxy-fuel combustion, oxy-enrich combustion uses air to replace part of pure oxygen for coal combustion. Compared with oxy-fuel combustion, oxy-enrich combustion uses much less pure oxygen, which may reduce the cost for CO2 capture due to the reduction of pure oxygen requirement. The thermo-gravimetric technique was used to study the combustion characteristics of three pulverized coals under oxy-enrich atmospheres. The results show that both the ignition and burnout temperatures of pulverized coals decrease with the rise of oxygen concentration, while the combustibility index S increases gradually. Under the same oxygen concentration, the ignition and burnout temperatures in oxy-enrich combustion are lower than those in oxy-fuel combustion due to the different properties between N2 and CO2. A fixed-bed reactor (FBR) was used to investigate the NO emissions of a coal sample at different atmospheres. It is found that temperature has played an important role in NO releasing. With the increase of furnace temperature, the peaks of NO release appear to occur early. For the tested coal, the conversion rates of fuel-N to NO in air are higher than those in oxy-fuel or oxy-enrich atmospheres, which may be due to the effect of CO2 gasification. The conversion of fuel-N to NO appears to have some complicated tendencies in oxy-enrich combustion, and some possible reasons about this were discussed. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620348
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14355-14360[article] Combustion characteristics and nitric oxide release of the pulverized coals under oxy-enrich conditions [texte imprimé] / Chunbo Wang, Auteur ; Ming Lei, Auteur ; Huimin Liu, Auteur . - 2013 . - pp. 14355-14360.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14355-14360
Mots-clés : Coal Combustion Résumé : Instead of using pure oxygen in oxy-fuel combustion, oxy-enrich combustion uses air to replace part of pure oxygen for coal combustion. Compared with oxy-fuel combustion, oxy-enrich combustion uses much less pure oxygen, which may reduce the cost for CO2 capture due to the reduction of pure oxygen requirement. The thermo-gravimetric technique was used to study the combustion characteristics of three pulverized coals under oxy-enrich atmospheres. The results show that both the ignition and burnout temperatures of pulverized coals decrease with the rise of oxygen concentration, while the combustibility index S increases gradually. Under the same oxygen concentration, the ignition and burnout temperatures in oxy-enrich combustion are lower than those in oxy-fuel combustion due to the different properties between N2 and CO2. A fixed-bed reactor (FBR) was used to investigate the NO emissions of a coal sample at different atmospheres. It is found that temperature has played an important role in NO releasing. With the increase of furnace temperature, the peaks of NO release appear to occur early. For the tested coal, the conversion rates of fuel-N to NO in air are higher than those in oxy-fuel or oxy-enrich atmospheres, which may be due to the effect of CO2 gasification. The conversion of fuel-N to NO appears to have some complicated tendencies in oxy-enrich combustion, and some possible reasons about this were discussed. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620348 Exemplaires
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Titre : Carbonation behavior and the reaction kinetic of a new dry potassium-based sorbent for CO2 capture Type de document : texte imprimé Auteurs : Chuanwen Zhao, Auteur ; Xiaoping Chen, Auteur ; Changsui Zhao, Auteur Année de publication : 2013 Article en page(s) : pp. 14361-14366 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Carbon dioxide Kinetics Carbonation Résumé : The carbonation behaviors of K2CO3 generated by calcination of KHCO3 were investigated with a pressurized thermo gravimetric apparatus, and the shrinking-core model in the noncatalytic heterogeneous reaction systems was used to explain the kinetics of the reaction between K2CO3, CO2 and H2O using analysis of the experimental breakthrough data. The carbonation reaction process can be divided into two stage-controlled regions, one is the surface chemical reaction-controlled region at the initial stage and another is the internal diffusion-controlled region at the last stage. The total amount of carbonation conversion is mainly dependent on the first stage. The reaction rate of this stage decreases as the reaction temperature increases. It increases in the same temperature when the CO2 and H2O concentrations increase. The total carbonation conversion decreases as the pressure increases. On the basis of the Arrhenius equation, the apparent activation energy and pre-exponential factor for these two stages are calculated, when the temperature is in the range of 55―80 °C and the pressure is 0.1 MPa. They are 33.4 kJ/mol and 3.56 cm/min for the surface chemical reaction-controlled region and 99.1 kJ/mol and 4.01 X 10―22 cm2/min for the internal diffusion-controlled region. This paper provides theoretical basis for the further study on the capture of CO2 from flue gas using dry potassium-based sorbents. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620349
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14361-14366[article] Carbonation behavior and the reaction kinetic of a new dry potassium-based sorbent for CO2 capture [texte imprimé] / Chuanwen Zhao, Auteur ; Xiaoping Chen, Auteur ; Changsui Zhao, Auteur . - 2013 . - pp. 14361-14366.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14361-14366
Mots-clés : Carbon dioxide Kinetics Carbonation Résumé : The carbonation behaviors of K2CO3 generated by calcination of KHCO3 were investigated with a pressurized thermo gravimetric apparatus, and the shrinking-core model in the noncatalytic heterogeneous reaction systems was used to explain the kinetics of the reaction between K2CO3, CO2 and H2O using analysis of the experimental breakthrough data. The carbonation reaction process can be divided into two stage-controlled regions, one is the surface chemical reaction-controlled region at the initial stage and another is the internal diffusion-controlled region at the last stage. The total amount of carbonation conversion is mainly dependent on the first stage. The reaction rate of this stage decreases as the reaction temperature increases. It increases in the same temperature when the CO2 and H2O concentrations increase. The total carbonation conversion decreases as the pressure increases. On the basis of the Arrhenius equation, the apparent activation energy and pre-exponential factor for these two stages are calculated, when the temperature is in the range of 55―80 °C and the pressure is 0.1 MPa. They are 33.4 kJ/mol and 3.56 cm/min for the surface chemical reaction-controlled region and 99.1 kJ/mol and 4.01 X 10―22 cm2/min for the internal diffusion-controlled region. This paper provides theoretical basis for the further study on the capture of CO2 from flue gas using dry potassium-based sorbents. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620349 Exemplaires
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Titre : Adsorption and kinetic parameters for synthesis of methyl nonanoate over heterogeneous catalysts Type de document : texte imprimé Auteurs : Mamta Sharma, Auteur ; Ravinder Kumar Wanchoo, Auteur ; Amrit Pal Toor, Auteur Année de publication : 2013 Article en page(s) : pp. 14367-14375 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Heterogeneous catalysis Kinetic parameter Adsorption Résumé : Methyl nonanoate was synthesized in a batch reactor by esterification of nonanoic acid with methanol catalyzed by the cation exchange resins, Dowex 50Wx2, Amberlyst 35, and Amberlyst 15. The effect of various parameters such as speed of agitation, catalyst loading, molar ratio, and reaction temperature on degree of conversion has been reported. The conversion of nonanoic acid to methyl nonanoate was found to increase with an increase in temperature in the range of 303.15―333.15 K and the increase was appreciable with an excess use of methanol in the reaction mixture. Nonideality of the liquid phase was taken into account by using activities instead of concentration. The activity coefficients were calculated using the UNIFAC group contribution method. The possible mechanism of reaction was mathematically treated using theories of the Eley—Rideal model based on inhibition by water and methanol on the Amberlyst 15. The reaction rate constants and the adsorption coefficients for methanol and water were determined from the experimental data established at three different temperatures for the effect of initial concentration of acid and alcohol. The kinetics reported in this study was obtained under conditions free of both external and internal mass transfer resistance. Activation energy and pre-exponential factor of the reaction were found to be 47.6 kJ mol―1 and 3.2 × 104 L2 g―1 mol―1 h―1, respectively. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620350
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14367-14375[article] Adsorption and kinetic parameters for synthesis of methyl nonanoate over heterogeneous catalysts [texte imprimé] / Mamta Sharma, Auteur ; Ravinder Kumar Wanchoo, Auteur ; Amrit Pal Toor, Auteur . - 2013 . - pp. 14367-14375.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14367-14375
Mots-clés : Heterogeneous catalysis Kinetic parameter Adsorption Résumé : Methyl nonanoate was synthesized in a batch reactor by esterification of nonanoic acid with methanol catalyzed by the cation exchange resins, Dowex 50Wx2, Amberlyst 35, and Amberlyst 15. The effect of various parameters such as speed of agitation, catalyst loading, molar ratio, and reaction temperature on degree of conversion has been reported. The conversion of nonanoic acid to methyl nonanoate was found to increase with an increase in temperature in the range of 303.15―333.15 K and the increase was appreciable with an excess use of methanol in the reaction mixture. Nonideality of the liquid phase was taken into account by using activities instead of concentration. The activity coefficients were calculated using the UNIFAC group contribution method. The possible mechanism of reaction was mathematically treated using theories of the Eley—Rideal model based on inhibition by water and methanol on the Amberlyst 15. The reaction rate constants and the adsorption coefficients for methanol and water were determined from the experimental data established at three different temperatures for the effect of initial concentration of acid and alcohol. The kinetics reported in this study was obtained under conditions free of both external and internal mass transfer resistance. Activation energy and pre-exponential factor of the reaction were found to be 47.6 kJ mol―1 and 3.2 × 104 L2 g―1 mol―1 h―1, respectively. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620350 Exemplaires
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Titre : Constant thickness porous layer model for reaction between gas and dense carbonaceous materials Type de document : texte imprimé Auteurs : Eric A. Morris, Auteur ; Rex Choi, Auteur ; Ti Ouyang, Auteur Année de publication : 2013 Article en page(s) : pp. 14376-14383 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Modeling Résumé : Using oil-sands petroleum coke as the raw material and sulfur dioxide as the activating agent at 700 °C, the process of pore development in dense carbonaceous materials was studied. The time dependence of porosity was established from measured values of specific surface area (SSA), which could not be explained using conventional porous layer theories. Incorporating the Random Pore Model with measurements of particle size and porous layer thickness, a model was developed based on the existence of a porous layer of constant thickness. The model was found to accurately reproduce experimental time dependence of SSA. The results confirm a constant thickness of the porous layer for the activation conditions studied, which results from competing effects of carbon gasification reaction and penetration of the activating agent into the carbon particle interior. The model predicts a higher achievable SSA for a greater constant porous layer thickness, smaller initial particle size, and lower inorganic ash content. This model was found to be useful in predicting the maximum porous layer thickness of a dense material undergoing activation or gasification using only measured values of SSA, pore size distribution, and particle size as inputs. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620351
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14376-14383[article] Constant thickness porous layer model for reaction between gas and dense carbonaceous materials [texte imprimé] / Eric A. Morris, Auteur ; Rex Choi, Auteur ; Ti Ouyang, Auteur . - 2013 . - pp. 14376-14383.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14376-14383
Mots-clés : Modeling Résumé : Using oil-sands petroleum coke as the raw material and sulfur dioxide as the activating agent at 700 °C, the process of pore development in dense carbonaceous materials was studied. The time dependence of porosity was established from measured values of specific surface area (SSA), which could not be explained using conventional porous layer theories. Incorporating the Random Pore Model with measurements of particle size and porous layer thickness, a model was developed based on the existence of a porous layer of constant thickness. The model was found to accurately reproduce experimental time dependence of SSA. The results confirm a constant thickness of the porous layer for the activation conditions studied, which results from competing effects of carbon gasification reaction and penetration of the activating agent into the carbon particle interior. The model predicts a higher achievable SSA for a greater constant porous layer thickness, smaller initial particle size, and lower inorganic ash content. This model was found to be useful in predicting the maximum porous layer thickness of a dense material undergoing activation or gasification using only measured values of SSA, pore size distribution, and particle size as inputs. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620351 Exemplaires
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Titre : Cobalt flower-like nanostructure as modifier for electrocatalytic determination of chloropheniramine Type de document : texte imprimé Auteurs : Mandana Amiri, Auteur ; Mohsen Alimoradi, Auteur ; Khadijeh Nekoueian, Auteur Année de publication : 2013 Article en page(s) : pp. 14384-14389 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Electrocatalysis Nanostructure Résumé : In this approach, flower-like cobalt with a hierarchical structure was applied as modifier for voltammetric determination of chlorpheniramine, which is an antihistaminic drug. The flower-like cobalt nanostructures were synthesized by using a simple chemical method. They have been characterized by using scanning electron microscopy and cyclic voltammetry. The carbon paste electrode modified with cobalt nanostructures shows an excellent electrocatalytic activity and sensitivity toward cworpheniramine due to its unique properties such as high specific surface area and large pore volume. Potential sweep rate and pH effects on the response of the electrode for the oxidation of chlorpheniramine were investigated. Differential pulse voltammetry has been applied for quantitative determination of chlorpheniramine. A dynamic linear range was obtained in the range of 1.0 × 10―7―1.0 × 10-5 mol L―1, and the detection limit was estimated to be 8.0 × 10―8 mol L―1. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620352
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14384-14389[article] Cobalt flower-like nanostructure as modifier for electrocatalytic determination of chloropheniramine [texte imprimé] / Mandana Amiri, Auteur ; Mohsen Alimoradi, Auteur ; Khadijeh Nekoueian, Auteur . - 2013 . - pp. 14384-14389.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14384-14389
Mots-clés : Electrocatalysis Nanostructure Résumé : In this approach, flower-like cobalt with a hierarchical structure was applied as modifier for voltammetric determination of chlorpheniramine, which is an antihistaminic drug. The flower-like cobalt nanostructures were synthesized by using a simple chemical method. They have been characterized by using scanning electron microscopy and cyclic voltammetry. The carbon paste electrode modified with cobalt nanostructures shows an excellent electrocatalytic activity and sensitivity toward cworpheniramine due to its unique properties such as high specific surface area and large pore volume. Potential sweep rate and pH effects on the response of the electrode for the oxidation of chlorpheniramine were investigated. Differential pulse voltammetry has been applied for quantitative determination of chlorpheniramine. A dynamic linear range was obtained in the range of 1.0 × 10―7―1.0 × 10-5 mol L―1, and the detection limit was estimated to be 8.0 × 10―8 mol L―1. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620352 Exemplaires
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Titre : Preparation of Graphene Oxide/Polyaniline Nanocomposite with Assistance of Supercritical Carbon Dioxide for Supercapacitor Electrodes Type de document : texte imprimé Auteurs : Guiheng Xu, Auteur ; Nan Wang, Auteur ; Junyi Wei, Auteur Année de publication : 2013 Article en page(s) : pp. 14390-14398 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Electrodes Supercritical state Carbon dioxide Nanocomposite Preparation Résumé : We report a facile strategy to prepare graphene oxide (GO)/polyaniline (PANI) nanocomposite by in situ polymerization with the assistance of supercritical carbon dioxide (SC CO2). The morphology and chemical structure of the synthesized samples were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), FT-IR, Raman, and UV—vis spectrophotometry. As a result, PANI nanoparticles uniformly cover the GO sheets with the help of SC CO2, and the formation mechanism is suggested. The morphologies of GO/PANI nanocomposites can be controlled through adjusting the concentration of aniline. The GO/PANI nanocomposite exhibits better specific capacitance and cycle stability than pure PANI and GO owing to the synergistic effect of GO and PANI nanoparticles, making it promising application in electrochemical devices. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620353
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14390-14398[article] Preparation of Graphene Oxide/Polyaniline Nanocomposite with Assistance of Supercritical Carbon Dioxide for Supercapacitor Electrodes [texte imprimé] / Guiheng Xu, Auteur ; Nan Wang, Auteur ; Junyi Wei, Auteur . - 2013 . - pp. 14390-14398.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14390-14398
Mots-clés : Electrodes Supercritical state Carbon dioxide Nanocomposite Preparation Résumé : We report a facile strategy to prepare graphene oxide (GO)/polyaniline (PANI) nanocomposite by in situ polymerization with the assistance of supercritical carbon dioxide (SC CO2). The morphology and chemical structure of the synthesized samples were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), FT-IR, Raman, and UV—vis spectrophotometry. As a result, PANI nanoparticles uniformly cover the GO sheets with the help of SC CO2, and the formation mechanism is suggested. The morphologies of GO/PANI nanocomposites can be controlled through adjusting the concentration of aniline. The GO/PANI nanocomposite exhibits better specific capacitance and cycle stability than pure PANI and GO owing to the synergistic effect of GO and PANI nanoparticles, making it promising application in electrochemical devices. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620353 Exemplaires
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Titre : High pressure mixing rheology of drilling fluids Type de document : texte imprimé Auteurs : J. Hermoso, Auteur ; B. D. Jofore, Auteur ; F. J. Martinez-Boza, Auteur Année de publication : 2013 Article en page(s) : pp. 14399–14407 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Rheology Drilling fluids Résumé : Drilling fluids are multicomponent emulsions and/or suspensions, which normally show non-Newtonian behavior, i.e. yield stress, shear-thinning and thixotropy, and strong thermal and pressure dependence. The rheological characterization of drilling fluids using conventional geometries can be a difficult task due to the inherently heterogeneous nature of these systems. These problems may be overcome using nonconventional geometries, such as helical ribbons and blade turbines, which maintain the homogeneity of the system during the measurement. The overall objective of this work was to evaluate the use of mixing geometries, such as helical ribbons and blade turbines, for characterizing the flow behavior of drilling fluids as a function of pressure. From the experimental results it may be concluded that, using the Metzner-Otto approach, both four-blade and helical ribbon type-geometries are suitable for this purpose. This study shows that the Metzner-Otto constant, for a four blade turbine geometry, is practically independent of the flow index at atmospheric pressure, which shows a linear dependence at higher pressures. On the contrary, for the helical ribbon geometry, an exponential dependence of the Metzner-Otto constant on the flow index is observed independently of the measured pressure. From the experimental results obtained, it can be concluded that both nonconventional geometries can be used to measure the influence of pressure on the rheological parameters of non-Newtonian fluids. These tools extend the experimental shear-rate window covered by the coaxial cylinders conventional geometry to lower values, allowing the measurement of important engineering parameters, such as, for instance, yield stress. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie301835y
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14399–14407[article] High pressure mixing rheology of drilling fluids [texte imprimé] / J. Hermoso, Auteur ; B. D. Jofore, Auteur ; F. J. Martinez-Boza, Auteur . - 2013 . - pp. 14399–14407.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14399–14407
Mots-clés : Rheology Drilling fluids Résumé : Drilling fluids are multicomponent emulsions and/or suspensions, which normally show non-Newtonian behavior, i.e. yield stress, shear-thinning and thixotropy, and strong thermal and pressure dependence. The rheological characterization of drilling fluids using conventional geometries can be a difficult task due to the inherently heterogeneous nature of these systems. These problems may be overcome using nonconventional geometries, such as helical ribbons and blade turbines, which maintain the homogeneity of the system during the measurement. The overall objective of this work was to evaluate the use of mixing geometries, such as helical ribbons and blade turbines, for characterizing the flow behavior of drilling fluids as a function of pressure. From the experimental results it may be concluded that, using the Metzner-Otto approach, both four-blade and helical ribbon type-geometries are suitable for this purpose. This study shows that the Metzner-Otto constant, for a four blade turbine geometry, is practically independent of the flow index at atmospheric pressure, which shows a linear dependence at higher pressures. On the contrary, for the helical ribbon geometry, an exponential dependence of the Metzner-Otto constant on the flow index is observed independently of the measured pressure. From the experimental results obtained, it can be concluded that both nonconventional geometries can be used to measure the influence of pressure on the rheological parameters of non-Newtonian fluids. These tools extend the experimental shear-rate window covered by the coaxial cylinders conventional geometry to lower values, allowing the measurement of important engineering parameters, such as, for instance, yield stress. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie301835y Exemplaires
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Titre : Effect of foaming method on mechanical properties of aqueous foams prepared from surfactant solution Type de document : texte imprimé Auteurs : Masayuki Yamaguchi, Auteur ; Chiyo Kanoh, Auteur ; Jiraporn Seemork, Auteur Année de publication : 2013 Article en page(s) : pp. 14408-14413 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Surfactant Foam Mechanical properties Foaming Résumé : The effect of foaming methods on the linear and nonlinear rheological properties is studied employing foams prepared from aqueous solutions of sodium laurate. It is found that the liquid-phase fraction of the foam prepared by a foaming net is significantly lower than that by a conventional mixer. Consequently, the foaming net provides a stable foam that hardly shows drainage. Moreover, the foam by the foaming net shows low storage modulus, whereas it exhibits high yield stress. As a result, it behaves as an elastic body in the wide range of the strain. Considering that aqueous foams such as facial cleansing are usually prepared by a foaming net, much attention has to be paid to the foaming method. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620355
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14408-14413[article] Effect of foaming method on mechanical properties of aqueous foams prepared from surfactant solution [texte imprimé] / Masayuki Yamaguchi, Auteur ; Chiyo Kanoh, Auteur ; Jiraporn Seemork, Auteur . - 2013 . - pp. 14408-14413.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14408-14413
Mots-clés : Surfactant Foam Mechanical properties Foaming Résumé : The effect of foaming methods on the linear and nonlinear rheological properties is studied employing foams prepared from aqueous solutions of sodium laurate. It is found that the liquid-phase fraction of the foam prepared by a foaming net is significantly lower than that by a conventional mixer. Consequently, the foaming net provides a stable foam that hardly shows drainage. Moreover, the foam by the foaming net shows low storage modulus, whereas it exhibits high yield stress. As a result, it behaves as an elastic body in the wide range of the strain. Considering that aqueous foams such as facial cleansing are usually prepared by a foaming net, much attention has to be paid to the foaming method. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620355 Exemplaires
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Titre : Preparation of finite particles of nitrate forms of layered double hydroxides by pH adjustment with anion exchange resin Type de document : texte imprimé Auteurs : Shota Naito, Auteur ; Konomi Nitoh, Auteur ; Andre Ayral, Auteur Année de publication : 2013 Article en page(s) : pp. 14414-14418 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Anionic resin pH Preparation Résumé : Well-defined finite particles of nitrate forms of layered double hydroxides (MgAl and NiAl types) were successfully synthesized from aqueous solution of metal nitrates by the recently developed pH adjustment method, where hydroxide form ion-exchange resin was used to change a starting acidic solution into basic solution for the hydroxide formation. The interlayer nitrate ion of layered double hydroxide was exchanged with such anions as dodecylsulfate and oleate to form intercalation compounds by conventional anion exchange reactions in aqueous media at room temperature, suggesting potential of the methods as well as the present materials for further study on the applications of LDHs. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620356
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14414-14418[article] Preparation of finite particles of nitrate forms of layered double hydroxides by pH adjustment with anion exchange resin [texte imprimé] / Shota Naito, Auteur ; Konomi Nitoh, Auteur ; Andre Ayral, Auteur . - 2013 . - pp. 14414-14418.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14414-14418
Mots-clés : Anionic resin pH Preparation Résumé : Well-defined finite particles of nitrate forms of layered double hydroxides (MgAl and NiAl types) were successfully synthesized from aqueous solution of metal nitrates by the recently developed pH adjustment method, where hydroxide form ion-exchange resin was used to change a starting acidic solution into basic solution for the hydroxide formation. The interlayer nitrate ion of layered double hydroxide was exchanged with such anions as dodecylsulfate and oleate to form intercalation compounds by conventional anion exchange reactions in aqueous media at room temperature, suggesting potential of the methods as well as the present materials for further study on the applications of LDHs. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620356 Exemplaires
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Titre : Selective desulfurization of model diesel fuel by carbon nanoparticles as adsorbent Type de document : texte imprimé Auteurs : Rahimeh Naviri Fallah, Auteur ; Saeid Azizian, Auteur ; Guy Reggers, Auteur Année de publication : 2013 Article en page(s) : pp. 14419–14427 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Nanoparticles Adsorbent Résumé : This work examines the effect of aromatic compounds (naphthalene and 1-methylnaphthalene) on the adsorption of sulfur thiophenic compounds (including benzothiophene, dibenzothiophene, and dimethyldibenzothiophene) from simulated diesel fuel by dispersed carbon nanoparticles (CNPs) in aqueous solution. To evaluate the equilibrium and kinetics of adsorptive desulfurization by synthesized CNPs, two model diesel fuels with 300 ppmw total concentration of sulfur compounds were used in a batch reactor at ambient conditions. The solid CNPs were characterized using FTIR, thermal analysis, elemental analysis, TEM, and surface pH. The equilibrium experimental data were fitted to Langmuir, Freundlich, and Langmuir–Freundlich models to estimate the adsorption parameters. Different equations were applied to fit the kinetics of adsorption and to determine its mechanism. The selectivity for benzothiophene (BT), dibenzothiophene (DBT), and dimethyl dibenzothiophene (DMDBT) adsorption was calculated with naphthalene as reference (NP). Both the adsorption capacity and the selectivity were in the order of BT > DBT > methyl NP ≈ DMDBT > NP. It was found that the rate of adsorption is high and aromatic compounds have no effect on the adsorption kinetics of thiophenic compounds. The results showed that the CNPs can act as a selective adsorbent for the removal of thiophenic carbons in competition with aromatics. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3023324
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14419–14427[article] Selective desulfurization of model diesel fuel by carbon nanoparticles as adsorbent [texte imprimé] / Rahimeh Naviri Fallah, Auteur ; Saeid Azizian, Auteur ; Guy Reggers, Auteur . - 2013 . - pp. 14419–14427.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14419–14427
Mots-clés : Nanoparticles Adsorbent Résumé : This work examines the effect of aromatic compounds (naphthalene and 1-methylnaphthalene) on the adsorption of sulfur thiophenic compounds (including benzothiophene, dibenzothiophene, and dimethyldibenzothiophene) from simulated diesel fuel by dispersed carbon nanoparticles (CNPs) in aqueous solution. To evaluate the equilibrium and kinetics of adsorptive desulfurization by synthesized CNPs, two model diesel fuels with 300 ppmw total concentration of sulfur compounds were used in a batch reactor at ambient conditions. The solid CNPs were characterized using FTIR, thermal analysis, elemental analysis, TEM, and surface pH. The equilibrium experimental data were fitted to Langmuir, Freundlich, and Langmuir–Freundlich models to estimate the adsorption parameters. Different equations were applied to fit the kinetics of adsorption and to determine its mechanism. The selectivity for benzothiophene (BT), dibenzothiophene (DBT), and dimethyl dibenzothiophene (DMDBT) adsorption was calculated with naphthalene as reference (NP). Both the adsorption capacity and the selectivity were in the order of BT > DBT > methyl NP ≈ DMDBT > NP. It was found that the rate of adsorption is high and aromatic compounds have no effect on the adsorption kinetics of thiophenic compounds. The results showed that the CNPs can act as a selective adsorbent for the removal of thiophenic carbons in competition with aromatics. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3023324 Exemplaires
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Titre : Combined branch and bound method and exergy analysis for energy system design Type de document : texte imprimé Auteurs : Benny Hartono, Auteur ; Peter Heidebrecht, Auteur ; Kai Sundmacher, Auteur Année de publication : 2013 Article en page(s) : pp. 14428-14437 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : System design Exergy analysis Branch and bound method Résumé : This contribution proposes a new design methodology in energy system design, which integrates the branch and bound algorithm with exergy analysis (BBEx). In a search tree representation of the design problem, it applies upper and lower bounds to discharge ineffective branches at an early stage. At intermediate nodes, instead of solving the relaxed NLP subproblem, the BBEx algorithm calculates the residual exergy, which is a valid lower bound to an energetic objective function. This approach provides a lower bound at lower computational cost than the traditional branch and bound (BB) method and satisfies the constraint of system wide thermal autonomy. The numerical performance of the proposed method is compared with the classical BB and the total enumeration on a design problem of a wood-based fuel cell power plant. The results suggest that the proposed algorithm is a promising and efficient method for solving process synthesis problems in energy system design. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620358
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14428-14437[article] Combined branch and bound method and exergy analysis for energy system design [texte imprimé] / Benny Hartono, Auteur ; Peter Heidebrecht, Auteur ; Kai Sundmacher, Auteur . - 2013 . - pp. 14428-14437.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14428-14437
Mots-clés : System design Exergy analysis Branch and bound method Résumé : This contribution proposes a new design methodology in energy system design, which integrates the branch and bound algorithm with exergy analysis (BBEx). In a search tree representation of the design problem, it applies upper and lower bounds to discharge ineffective branches at an early stage. At intermediate nodes, instead of solving the relaxed NLP subproblem, the BBEx algorithm calculates the residual exergy, which is a valid lower bound to an energetic objective function. This approach provides a lower bound at lower computational cost than the traditional branch and bound (BB) method and satisfies the constraint of system wide thermal autonomy. The numerical performance of the proposed method is compared with the classical BB and the total enumeration on a design problem of a wood-based fuel cell power plant. The results suggest that the proposed algorithm is a promising and efficient method for solving process synthesis problems in energy system design. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620358 Exemplaires
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Titre : Modeling and computational strategies for optimal development planning of offshore oilfields under complex fiscal rules Type de document : texte imprimé Auteurs : Vijay Gupta, Auteur ; Ignacio E. Grossmann, Auteur Année de publication : 2013 Article en page(s) : pp. 14438-14460 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Planning Modeling Résumé : The main goal of this paper is to extend a simple NPV (net present value) based optimal oilfield development planning model to include complex fiscal rules. In particular, we consider a recently proposed multifield site strategic planning model for offshore oil and gas fields as a basis to include the generic fiscal rules with ringfencing provisions. The reduction of this model to a variety of contracts is explained. The results on the realistic instances show improved investment and operations decisions due to the explicit consideration of the fiscal terms during planning. However, as the model can become computationally very expensive to solve with the extension to sliding scale fiscal rules, we also provide some reformulation/ approximation techniques and solution strategies that yield orders of magnitude reduction in the solution time. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620359
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14438-14460[article] Modeling and computational strategies for optimal development planning of offshore oilfields under complex fiscal rules [texte imprimé] / Vijay Gupta, Auteur ; Ignacio E. Grossmann, Auteur . - 2013 . - pp. 14438-14460.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14438-14460
Mots-clés : Planning Modeling Résumé : The main goal of this paper is to extend a simple NPV (net present value) based optimal oilfield development planning model to include complex fiscal rules. In particular, we consider a recently proposed multifield site strategic planning model for offshore oil and gas fields as a basis to include the generic fiscal rules with ringfencing provisions. The reduction of this model to a variety of contracts is explained. The results on the realistic instances show improved investment and operations decisions due to the explicit consideration of the fiscal terms during planning. However, as the model can become computationally very expensive to solve with the extension to sliding scale fiscal rules, we also provide some reformulation/ approximation techniques and solution strategies that yield orders of magnitude reduction in the solution time. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620359 Exemplaires
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Titre : Hot discharges/feeds between plants to combine utility streams for heat integration Type de document : texte imprimé Auteurs : B. J. Zhang, Auteur ; X. L. Luo, Auteur ; Q. L. Chen, Auteur Année de publication : 2013 Article en page(s) : pp. 14461–14472 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Heat integration Résumé : A sharp increase in worldwide energy requirements has forced people to exploit novel energy conservation technologies and new alternative energies. Heat integration, as a method of saving energy, is proposed in this paper in the form of integrating multiple hot discharges/feeds between plants and utility streams to reduce utility requirements and increase steam production for the total site. T–Q graphic methods are proposed to coordinate the temperatures of multiple hot discharges/feeds between plants and the steam production. The grand composite curve (GCC), the composite curve of the streams employed for hot discharges/feeds, and the curve of steam generation are combined into the T–Q diagram to obtain an insight into the interrelationship between these streams. A bilevel mixed integer linear programming (MILP) framework is presented to minimize the total hot and cold utilities of the up and down plants and to maximize the steam generation in the total site. The first level of the programming framework is formulated to target the utility requirements, and the second level of the programming framework is formulated to maximize the steam production. Two examples are investigated to demonstrate the performance of the proposed method, and the results show a decrease in the total hot and cold utilities of the up and down plants and also indicate an increase in steam production. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie301631c
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14461–14472[article] Hot discharges/feeds between plants to combine utility streams for heat integration [texte imprimé] / B. J. Zhang, Auteur ; X. L. Luo, Auteur ; Q. L. Chen, Auteur . - 2013 . - pp. 14461–14472.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14461–14472
Mots-clés : Heat integration Résumé : A sharp increase in worldwide energy requirements has forced people to exploit novel energy conservation technologies and new alternative energies. Heat integration, as a method of saving energy, is proposed in this paper in the form of integrating multiple hot discharges/feeds between plants and utility streams to reduce utility requirements and increase steam production for the total site. T–Q graphic methods are proposed to coordinate the temperatures of multiple hot discharges/feeds between plants and the steam production. The grand composite curve (GCC), the composite curve of the streams employed for hot discharges/feeds, and the curve of steam generation are combined into the T–Q diagram to obtain an insight into the interrelationship between these streams. A bilevel mixed integer linear programming (MILP) framework is presented to minimize the total hot and cold utilities of the up and down plants and to maximize the steam generation in the total site. The first level of the programming framework is formulated to target the utility requirements, and the second level of the programming framework is formulated to maximize the steam production. Two examples are investigated to demonstrate the performance of the proposed method, and the results show a decrease in the total hot and cold utilities of the up and down plants and also indicate an increase in steam production. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie301631c Exemplaires
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Titre : Reactive distillation columns with a top-bottom external recycle Type de document : texte imprimé Auteurs : Haisheng Chen, Auteur ; Kejin Huang, Auteur ; Liang Zhang, Auteur Année de publication : 2013 Article en page(s) : pp. 14473-14488 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Distillation column with reaction Résumé : Although reactive distillation columns represent a promising technology for process intensification between reaction operation and separation operation, it is difficult to use for the separation of reacting mixtures with the most and the least volatile reactants (i.e., the most unfavorable ranking of relative volatilities). To overcome the difficulty, we propose two novel configurations featured a top-bottom external recycle for the separation of exothermic and endothermic reactions, respectively. While the external recycle should be directed from the top to the bottom for the exothermic reactions, it should be from the bottom to the top for the endothermic reactions. With the arrangement of a reactive section at the bottom for the exothermic reactions and at the top for the endothermic reactions, the two process configurations proposed favor considerably internal mass integration and internal energy integration between the reaction operation and the separation operation involved and help, consequently, to enhance the thermodynamic efficiencies of the reactive distillation columns. A simple and effective procedure for process synthesis and design is devised, and four examples, including an ideal quaternary exothermic reaction, an ideal quaternary endothermic one, the esterification of latic acid with methanol, and the esterification of palmitic acid with isopropanol, are chosen to evaluate the two configurations proposed. The obtained results show that they are definitely superior to those with two or one reactive sections at both or either ends in the aspect of capital investment and operating cost They are also demonstrated to be highly competitive alternatives to the conventional reactor/separator/recycle systems. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620361
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14473-14488[article] Reactive distillation columns with a top-bottom external recycle [texte imprimé] / Haisheng Chen, Auteur ; Kejin Huang, Auteur ; Liang Zhang, Auteur . - 2013 . - pp. 14473-14488.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14473-14488
Mots-clés : Distillation column with reaction Résumé : Although reactive distillation columns represent a promising technology for process intensification between reaction operation and separation operation, it is difficult to use for the separation of reacting mixtures with the most and the least volatile reactants (i.e., the most unfavorable ranking of relative volatilities). To overcome the difficulty, we propose two novel configurations featured a top-bottom external recycle for the separation of exothermic and endothermic reactions, respectively. While the external recycle should be directed from the top to the bottom for the exothermic reactions, it should be from the bottom to the top for the endothermic reactions. With the arrangement of a reactive section at the bottom for the exothermic reactions and at the top for the endothermic reactions, the two process configurations proposed favor considerably internal mass integration and internal energy integration between the reaction operation and the separation operation involved and help, consequently, to enhance the thermodynamic efficiencies of the reactive distillation columns. A simple and effective procedure for process synthesis and design is devised, and four examples, including an ideal quaternary exothermic reaction, an ideal quaternary endothermic one, the esterification of latic acid with methanol, and the esterification of palmitic acid with isopropanol, are chosen to evaluate the two configurations proposed. The obtained results show that they are definitely superior to those with two or one reactive sections at both or either ends in the aspect of capital investment and operating cost They are also demonstrated to be highly competitive alternatives to the conventional reactor/separator/recycle systems. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620361 Exemplaires
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Titre : Adsorptive desulfurization of natural gas using lthium-modified mesoporous silica Type de document : texte imprimé Auteurs : Anton Koriakin, Auteur ; Yo-Han Kim, Auteur ; Chang-Ha Lee, Auteur Année de publication : 2013 Article en page(s) : pp. 14489-14495 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Natural gas Desulfurization Résumé : The dynamic adsorption and desorption behaviors of lithium-modified mesoporous silica adsorbents (YSP-Li and MCF-Li) were investigated to remove sulfur compounds from natural gas. A mixture of methane and methyl mercaptan (291 μmol/mol) was used as feed gas. The adsorption capacities were determined from breakthrough experiments conducted at different temperatures and flow rates. The dynamic thermal desorption of both adsorbents was studied by applying stepwise temperature increases using nitrogen or methane. Both adsorbents could easily be regenerated at 100 °C with a purge gas. MCF-Li exhibited stronger adsorption affinity and higher adsorption capacity to methyl mercaptan than YSP-Li even though its surface area and the doping amount of Li were smaller. The desorption from MCF-Li was more affected by the applied purge gas (CH4 or N2) than YSP-Li. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620362
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14489-14495[article] Adsorptive desulfurization of natural gas using lthium-modified mesoporous silica [texte imprimé] / Anton Koriakin, Auteur ; Yo-Han Kim, Auteur ; Chang-Ha Lee, Auteur . - 2013 . - pp. 14489-14495.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14489-14495
Mots-clés : Natural gas Desulfurization Résumé : The dynamic adsorption and desorption behaviors of lithium-modified mesoporous silica adsorbents (YSP-Li and MCF-Li) were investigated to remove sulfur compounds from natural gas. A mixture of methane and methyl mercaptan (291 μmol/mol) was used as feed gas. The adsorption capacities were determined from breakthrough experiments conducted at different temperatures and flow rates. The dynamic thermal desorption of both adsorbents was studied by applying stepwise temperature increases using nitrogen or methane. Both adsorbents could easily be regenerated at 100 °C with a purge gas. MCF-Li exhibited stronger adsorption affinity and higher adsorption capacity to methyl mercaptan than YSP-Li even though its surface area and the doping amount of Li were smaller. The desorption from MCF-Li was more affected by the applied purge gas (CH4 or N2) than YSP-Li. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620362 Exemplaires
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Titre : Fractionation of ligusticum chuanxiong by adsorption in supercritical carbon dioxide Type de document : texte imprimé Auteurs : Zhihui Hu, Auteur ; Donghui Zhang, Auteur ; Jixiao Wang, Auteur Année de publication : 2013 Article en page(s) : pp. 14496-14502 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Supercritical state Carbon dioxide Adsorption Speciation Résumé : An experimental and simulated study of the fractionation of Ligusticum chuanxiong via adsorption in supercritical carbon dioxide (SC-CO2), using silica gel as the adsorbent, was conducted. Adsorption equilibrium and adsorption dynamic data were obtained from experiments conducted at 8.8 MPa and 323.15 K The adsorption isotherms can be represented by the Extended Langmuir 1 isotherm equation. Effect of the flow rate of the strippant was studied, and the regeneration became more complete and occurred more quickly as the flow rate of the strippant increased. Highly concentrated fraction of lactone was obtained for the desorption step and the recovery of it reached 85%. A mathematical model simulated the behavior of the process well, and the amount of adsorbed components on the adsorbents was predicted graphically. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620363
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14496-14502[article] Fractionation of ligusticum chuanxiong by adsorption in supercritical carbon dioxide [texte imprimé] / Zhihui Hu, Auteur ; Donghui Zhang, Auteur ; Jixiao Wang, Auteur . - 2013 . - pp. 14496-14502.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14496-14502
Mots-clés : Supercritical state Carbon dioxide Adsorption Speciation Résumé : An experimental and simulated study of the fractionation of Ligusticum chuanxiong via adsorption in supercritical carbon dioxide (SC-CO2), using silica gel as the adsorbent, was conducted. Adsorption equilibrium and adsorption dynamic data were obtained from experiments conducted at 8.8 MPa and 323.15 K The adsorption isotherms can be represented by the Extended Langmuir 1 isotherm equation. Effect of the flow rate of the strippant was studied, and the regeneration became more complete and occurred more quickly as the flow rate of the strippant increased. Highly concentrated fraction of lactone was obtained for the desorption step and the recovery of it reached 85%. A mathematical model simulated the behavior of the process well, and the amount of adsorbed components on the adsorbents was predicted graphically. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620363 Exemplaires
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Titre : Adsorptive denitrogenation and desulfurization of diesel fractions by mesoporous SBA15-supported nickel(II) phosphide synthesized through a novel approach of urea matrix combustion Type de document : texte imprimé Auteurs : Syed A. Shahriar, Auteur ; Hongfei Lin, Auteur ; Ying Zheng, Auteur Année de publication : 2013 Article en page(s) : pp. 14503-14510 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Combustion Desulfurization Résumé : Stringent environmental regulations on the sulfur content in transportation fuels have made ultradeep desulfurization of diesel an important research topic. One of the approaches to promote the effectiveness of the conventional hydrodesulfurization (HDS) process is to remove the organic nitrogen-containing compounds from the feed before HDS. Adsorptive removal of nitrogen compounds at room temperature and pressure without the presence of hydrogen was studied using a high-capacity adsorbent, Ni2P/SBA15, which was prepared by the urea matrix combustion (UMxC) method. A metal loading of 7 wt % Ni was observed to be optimum among the loadings tested. The nitrogen adsorption capacity reached 9.1 mg/ g of adsorbent, which is higher than the capacities of most of the reported adsorbents. Ni2P/SBA15 was characterized by Brunauer―Emmett―Teller analysis, X-ray diffraction, Fourier transform IR spectroscopy, and transmission electron microscopy (TEM). The mesoporous nature of the adsorbent was confirmed by nitrogen adsorption/desorption analysis as well as TEM analysis. Uniform dispersion of Ni2P was observed in TEM images. Solvent-washing regeneration was studied, and four adsorption-and-regeneration cycles were carried out. Approximately 95% of the adsorptive capacity of the sorbent was recovered after four cycles. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620364
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14503-14510[article] Adsorptive denitrogenation and desulfurization of diesel fractions by mesoporous SBA15-supported nickel(II) phosphide synthesized through a novel approach of urea matrix combustion [texte imprimé] / Syed A. Shahriar, Auteur ; Hongfei Lin, Auteur ; Ying Zheng, Auteur . - 2013 . - pp. 14503-14510.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14503-14510
Mots-clés : Combustion Desulfurization Résumé : Stringent environmental regulations on the sulfur content in transportation fuels have made ultradeep desulfurization of diesel an important research topic. One of the approaches to promote the effectiveness of the conventional hydrodesulfurization (HDS) process is to remove the organic nitrogen-containing compounds from the feed before HDS. Adsorptive removal of nitrogen compounds at room temperature and pressure without the presence of hydrogen was studied using a high-capacity adsorbent, Ni2P/SBA15, which was prepared by the urea matrix combustion (UMxC) method. A metal loading of 7 wt % Ni was observed to be optimum among the loadings tested. The nitrogen adsorption capacity reached 9.1 mg/ g of adsorbent, which is higher than the capacities of most of the reported adsorbents. Ni2P/SBA15 was characterized by Brunauer―Emmett―Teller analysis, X-ray diffraction, Fourier transform IR spectroscopy, and transmission electron microscopy (TEM). The mesoporous nature of the adsorbent was confirmed by nitrogen adsorption/desorption analysis as well as TEM analysis. Uniform dispersion of Ni2P was observed in TEM images. Solvent-washing regeneration was studied, and four adsorption-and-regeneration cycles were carried out. Approximately 95% of the adsorptive capacity of the sorbent was recovered after four cycles. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620364 Exemplaires
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Titre : Evaluation of laboratory methods for the acquisition of catalyst from fischer–tropsch wax/catalyst mixtures Type de document : texte imprimé Auteurs : Tie-jun Lin, Auteur ; Meng Xuan, Auteur ; Li Shi, Auteur Année de publication : 2013 Article en page(s) : pp. 14511-14516 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Wax Catalyst Résumé : Catalyst breakdown by physical attrition and chemical stresses is a problem of great and continuing concern in the slurry phase Fischer―Tropsch Synthesis. To reach a better understanding of the morphology and composition of a working catalyst, it requires first the removal of wax from the catalyst. In this work, Improved Soxhlet Extraction (ISE) in comparison of Standard Soxhlet Extraction was evaluated concerning their separation efficiency and relevancy for characterization of working catalysts. ISE extracted a greater amount of wax and recovered nearly all of the catalyst. In addition, ISE does not change the morphology and particle size distribution of working catalysts whereas Soxhlet extraction fails to reflect the actual information on the catalyst. The ISE is appropriate for the rapid and accurate analysis in plant operation. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620365
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14511-14516[article] Evaluation of laboratory methods for the acquisition of catalyst from fischer–tropsch wax/catalyst mixtures [texte imprimé] / Tie-jun Lin, Auteur ; Meng Xuan, Auteur ; Li Shi, Auteur . - 2013 . - pp. 14511-14516.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14511-14516
Mots-clés : Wax Catalyst Résumé : Catalyst breakdown by physical attrition and chemical stresses is a problem of great and continuing concern in the slurry phase Fischer―Tropsch Synthesis. To reach a better understanding of the morphology and composition of a working catalyst, it requires first the removal of wax from the catalyst. In this work, Improved Soxhlet Extraction (ISE) in comparison of Standard Soxhlet Extraction was evaluated concerning their separation efficiency and relevancy for characterization of working catalysts. ISE extracted a greater amount of wax and recovered nearly all of the catalyst. In addition, ISE does not change the morphology and particle size distribution of working catalysts whereas Soxhlet extraction fails to reflect the actual information on the catalyst. The ISE is appropriate for the rapid and accurate analysis in plant operation. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620365 Exemplaires
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Titre : Modeling, characteristic analysis, and optimization of ideal internal thermally coupled air separation columns Type de document : texte imprimé Auteurs : Liang Chang, Auteur ; Xinggao Liu, Auteur ; Liankui Dai, Auteur Année de publication : 2013 Article en page(s) : pp. 14517-14524 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Separation column Optimization Modeling Résumé : Cryogenic air separation is currently the most widely used but energy-intensive technology for producing large quantities of oxygen and nitrogen, where cryogenic distillation consumes about 75% of the whole air separation field; however, its thermodynamic efficiency is very low. A novel structure of a full tower ideal internal thermally coupled air separation column (ITCASC) is therefore first proposed in this paper. A rigorous mathematic model and parameter analysis are then presented. Research results show that the proposed ITCASC process can yield high-purity products of both oxygen and nitrogen simultaneously and especially has a strong driving force of heat transfer, which reveals the larger energy-saving potential in the ITCASC process. Furthermore, an optimization model of the operation parameters is presented, where both the actual energy-saving potential and the ideal energy-saving potential of ITCASC are investigated. Comparative studies against the conventional cryogenic air separation column (CASC) are carried out in detail. Research results show that the proposed ITCASC process has a larger extraction rate and better energy efficiency, where the nitrogen extraction rate increases 177.94% and the unit energy consumption decreases 40% compared to the CASC process with the same product purity requirements, revealing the advantages and promising application prospect of the proposed ITCASC process. En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620366
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14517-14524[article] Modeling, characteristic analysis, and optimization of ideal internal thermally coupled air separation columns [texte imprimé] / Liang Chang, Auteur ; Xinggao Liu, Auteur ; Liankui Dai, Auteur . - 2013 . - pp. 14517-14524.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14517-14524
Mots-clés : Separation column Optimization Modeling Résumé : Cryogenic air separation is currently the most widely used but energy-intensive technology for producing large quantities of oxygen and nitrogen, where cryogenic distillation consumes about 75% of the whole air separation field; however, its thermodynamic efficiency is very low. A novel structure of a full tower ideal internal thermally coupled air separation column (ITCASC) is therefore first proposed in this paper. A rigorous mathematic model and parameter analysis are then presented. Research results show that the proposed ITCASC process can yield high-purity products of both oxygen and nitrogen simultaneously and especially has a strong driving force of heat transfer, which reveals the larger energy-saving potential in the ITCASC process. Furthermore, an optimization model of the operation parameters is presented, where both the actual energy-saving potential and the ideal energy-saving potential of ITCASC are investigated. Comparative studies against the conventional cryogenic air separation column (CASC) are carried out in detail. Research results show that the proposed ITCASC process has a larger extraction rate and better energy efficiency, where the nitrogen extraction rate increases 177.94% and the unit energy consumption decreases 40% compared to the CASC process with the same product purity requirements, revealing the advantages and promising application prospect of the proposed ITCASC process. En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620366 Exemplaires
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Titre : Liquid–liquid equilibria of systems with linear aldehydes. experimental data and modeling with PCP-SAFT Type de document : texte imprimé Auteurs : Elisabeth Schafer, Auteur ; Gabriele Sadowski, Auteur Année de publication : 2013 Article en page(s) : pp. 14525-14534 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Modeling Phase equilibrium Liquid liquid Résumé : Liquid―liquid equilibrium (LLE) data were measured for the binary system propylene carbonate/decane (288.15 to 403.15 K) as well as for the temary systems propylene carbonate/decane + linear aldehyde (C4, C8, C10, C12, C13) and DMF/decane + linear aldehyde (C4, C8, CIO, C13) at 298.15 K using the analytic method. The reliability of the ternary LLE data is ascertained by employing Othmer―Tobias plots. Concerning the aldehyde distribution coefficients in the ternary systems, a distinctive dependency on the chain length of the aldehyde was observed. The LLE data were modeled with the Perturbed Chain Polar Statistical Associating Fluid Theory (PCP-SAFT) equation of state using a heterosegmented approach for describing the aldehyde molecules. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620367
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14525-14534[article] Liquid–liquid equilibria of systems with linear aldehydes. experimental data and modeling with PCP-SAFT [texte imprimé] / Elisabeth Schafer, Auteur ; Gabriele Sadowski, Auteur . - 2013 . - pp. 14525-14534.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14525-14534
Mots-clés : Modeling Phase equilibrium Liquid liquid Résumé : Liquid―liquid equilibrium (LLE) data were measured for the binary system propylene carbonate/decane (288.15 to 403.15 K) as well as for the temary systems propylene carbonate/decane + linear aldehyde (C4, C8, C10, C12, C13) and DMF/decane + linear aldehyde (C4, C8, CIO, C13) at 298.15 K using the analytic method. The reliability of the ternary LLE data is ascertained by employing Othmer―Tobias plots. Concerning the aldehyde distribution coefficients in the ternary systems, a distinctive dependency on the chain length of the aldehyde was observed. The LLE data were modeled with the Perturbed Chain Polar Statistical Associating Fluid Theory (PCP-SAFT) equation of state using a heterosegmented approach for describing the aldehyde molecules. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620367 Exemplaires
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Titre : Validation of solvent extraction scheme for the reprocessing of advanced heavy water reactor spent fuel using N,N-dihexyl octanamide as extractant Type de document : texte imprimé Auteurs : Neelam Kumari, Auteur ; D. R. Prabhu, Auteur ; A. S. Kanekar, Auteur Année de publication : 2013 Article en page(s) : pp. 14535-14542 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Fuel Reactor Heavy water Reprocessing Solvent extraction Résumé : Even though tri-n-butyl phosphate (TBP) has been the work horse for spent fuel reprocessing, some of its drawbacks are of major concern. Based on batch extraction studies, our group at Radiochemistry Division, BARC has proposed N,N-dihexyl octanamide (DHOA) as an alternative extractant to TBP for the reprocessing of three component Advanced Heavy Water Reactor (AHWR) spent fuels. To validate the batch data, twelve stage counter-current mixer settler runs were carried out on a simulated AHWR feed [∼2 g/L U + ∼2 g/L Pu + 100 g/L Th + 0.03 M HF + 0.1 M Al(NO3)3 at ∼ 3.5 M HNO3] (with a Pu tracer instead of 2 g/L; due to marginal variation in its extraction behavior) with 0.18 M TBP and 0.36 M DHOA/n-dodecane as extractants. Quantitative extraction of Pu and U was achieved in ∼S stages (maintaining volume ratio (O/A) as 1.1) leaving the bulk of thorium in the raffinate. Co-extracted thorium (∼4.5%) from the organic phase was scrubbed using 4 M HNO3. Partitioning of Pu from a loaded organic phase was carried out employing 0.5 M hydroxyl ammonium nitrate (HAN) at 2 M HNO3 as the strippant. Finally, uranium was stripped quantitatively using 0.01 M HNO3. The results clearly established the cocurrent studies using 0.36 M DHOA/n-dodecane as the extractant. The proposed flow sheet using 0.36 M DHOA/n-dodecane appears attractive with respect to the volume of the organic waste generated as compared to that of 0.18 M TBP/n-dodecane. Radiolytic degradation and hydrodynamic parameters of 0.36 M DHOA were also evaluated vis-à-vis 0.18 M TBP in n-dodecane. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620368
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14535-14542[article] Validation of solvent extraction scheme for the reprocessing of advanced heavy water reactor spent fuel using N,N-dihexyl octanamide as extractant [texte imprimé] / Neelam Kumari, Auteur ; D. R. Prabhu, Auteur ; A. S. Kanekar, Auteur . - 2013 . - pp. 14535-14542.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14535-14542
Mots-clés : Fuel Reactor Heavy water Reprocessing Solvent extraction Résumé : Even though tri-n-butyl phosphate (TBP) has been the work horse for spent fuel reprocessing, some of its drawbacks are of major concern. Based on batch extraction studies, our group at Radiochemistry Division, BARC has proposed N,N-dihexyl octanamide (DHOA) as an alternative extractant to TBP for the reprocessing of three component Advanced Heavy Water Reactor (AHWR) spent fuels. To validate the batch data, twelve stage counter-current mixer settler runs were carried out on a simulated AHWR feed [∼2 g/L U + ∼2 g/L Pu + 100 g/L Th + 0.03 M HF + 0.1 M Al(NO3)3 at ∼ 3.5 M HNO3] (with a Pu tracer instead of 2 g/L; due to marginal variation in its extraction behavior) with 0.18 M TBP and 0.36 M DHOA/n-dodecane as extractants. Quantitative extraction of Pu and U was achieved in ∼S stages (maintaining volume ratio (O/A) as 1.1) leaving the bulk of thorium in the raffinate. Co-extracted thorium (∼4.5%) from the organic phase was scrubbed using 4 M HNO3. Partitioning of Pu from a loaded organic phase was carried out employing 0.5 M hydroxyl ammonium nitrate (HAN) at 2 M HNO3 as the strippant. Finally, uranium was stripped quantitatively using 0.01 M HNO3. The results clearly established the cocurrent studies using 0.36 M DHOA/n-dodecane as the extractant. The proposed flow sheet using 0.36 M DHOA/n-dodecane appears attractive with respect to the volume of the organic waste generated as compared to that of 0.18 M TBP/n-dodecane. Radiolytic degradation and hydrodynamic parameters of 0.36 M DHOA were also evaluated vis-à-vis 0.18 M TBP in n-dodecane. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620368 Exemplaires
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Titre : Density, refraction index, and vapor–liquid equilibria of n-methyl-2-hydroxyethylammonium hexanoate plus (methyl acetate, ethyl acetate, or propyl acetate) at several temperatures Type de document : texte imprimé Auteurs : V. H. Alvarez, Auteur ; S. Mattedi, Auteur ; M. Aznar, Auteur Année de publication : 2013 Article en page(s) : pp. 14543-14554 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Phase equilibrium Liquid vapor Refraction index Density Résumé : This paper reports the densities, refraction indices, and vapor liquid equilibria for binary systems ester + n-methyl2-hydroxyethylammonium hexanoate (m-2-HEAH): methyl acetate (1) + m-2-HEAH (2), ethyl acetate (1) + m-2-HEAH, and propyl acetate (1) + m-2-HEAH (2). The excess molar volumes, deviations in the refraction index, apparent molar volume, and thermal expansion coefficient for the binary systems were fitted to polynomial equations. The Peng—Robinson equation of state, coupled with the Wong―Sandler mixing rule, is used to describe the experimental data. Since the predictive activity coefficient model COSMO-SAC is used in the Wong—Sandler mixing rule, the resulting thermodynamic model is a completely predictive one. The prediction results for the density and for the vapor―liquid equilibria have a deviation lower than 1.6% and 1.1%, respectively. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620369
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14543-14554[article] Density, refraction index, and vapor–liquid equilibria of n-methyl-2-hydroxyethylammonium hexanoate plus (methyl acetate, ethyl acetate, or propyl acetate) at several temperatures [texte imprimé] / V. H. Alvarez, Auteur ; S. Mattedi, Auteur ; M. Aznar, Auteur . - 2013 . - pp. 14543-14554.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14543-14554
Mots-clés : Phase equilibrium Liquid vapor Refraction index Density Résumé : This paper reports the densities, refraction indices, and vapor liquid equilibria for binary systems ester + n-methyl2-hydroxyethylammonium hexanoate (m-2-HEAH): methyl acetate (1) + m-2-HEAH (2), ethyl acetate (1) + m-2-HEAH, and propyl acetate (1) + m-2-HEAH (2). The excess molar volumes, deviations in the refraction index, apparent molar volume, and thermal expansion coefficient for the binary systems were fitted to polynomial equations. The Peng—Robinson equation of state, coupled with the Wong―Sandler mixing rule, is used to describe the experimental data. Since the predictive activity coefficient model COSMO-SAC is used in the Wong—Sandler mixing rule, the resulting thermodynamic model is a completely predictive one. The prediction results for the density and for the vapor―liquid equilibria have a deviation lower than 1.6% and 1.1%, respectively. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620369 Exemplaires
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Titre : Gravity-enhanced transfer between fracture and matrix in solvent-based enhanced oil recovery Type de document : texte imprimé Auteurs : S. Kahrobaei, Auteur ; R. Farajzadeh, Auteur ; V.S. Suicmez, Auteur Année de publication : 2013 Article en page(s) : pp. 14555–14565 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Solvent Oil Résumé : Solvent injection has been considered as an efficient method for enhancing oil recovery from fractured reservoirs. The success of this method therefore depends on the degree of enhancement of the mass exchange rate between the solvent residing in the fracture and the oil residing in the matrix. If the mass transfer would be solely based on diffusion, oil recovery would be unacceptably slow. A series of soak experiments have been conducted to investigate the mass transfer rate between the fracture and the matrix. In a soak experiment, a porous medium containing oil is immersed in an open space containing the solvent to simulate the matrix and the fracture, respectively. We use a CT scanner to visualize the process. The experimental data are compared with a simulation model that takes diffusive and gravitational forces into account. We find that the initial stage of all experiments can be described by a diffusion-based model with an enhanced “effective diffusion coefficient”. In the second stage enhancement of the transfer rate occurs due to the natural convection of solvent in the fracture. The experiments are quantitatively modeled by numerical simulations. We find that transfer rates depend on the properties of the rock permeability, the viscosity and the density of solvent and oil. The gravity enhanced transfer is quantified by comparison of experimental and simulated results. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3014499
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14555–14565[article] Gravity-enhanced transfer between fracture and matrix in solvent-based enhanced oil recovery [texte imprimé] / S. Kahrobaei, Auteur ; R. Farajzadeh, Auteur ; V.S. Suicmez, Auteur . - 2013 . - pp. 14555–14565.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14555–14565
Mots-clés : Solvent Oil Résumé : Solvent injection has been considered as an efficient method for enhancing oil recovery from fractured reservoirs. The success of this method therefore depends on the degree of enhancement of the mass exchange rate between the solvent residing in the fracture and the oil residing in the matrix. If the mass transfer would be solely based on diffusion, oil recovery would be unacceptably slow. A series of soak experiments have been conducted to investigate the mass transfer rate between the fracture and the matrix. In a soak experiment, a porous medium containing oil is immersed in an open space containing the solvent to simulate the matrix and the fracture, respectively. We use a CT scanner to visualize the process. The experimental data are compared with a simulation model that takes diffusive and gravitational forces into account. We find that the initial stage of all experiments can be described by a diffusion-based model with an enhanced “effective diffusion coefficient”. In the second stage enhancement of the transfer rate occurs due to the natural convection of solvent in the fracture. The experiments are quantitatively modeled by numerical simulations. We find that transfer rates depend on the properties of the rock permeability, the viscosity and the density of solvent and oil. The gravity enhanced transfer is quantified by comparison of experimental and simulated results. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3014499 Exemplaires
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Titre : Observed mixing behavior of single particles in a bubbling fluidized bed of higher-density particles Type de document : texte imprimé Auteurs : Jack Halow, Auteur ; Kerri Holsopple, Auteur ; Benjamin Crawshaw, Auteur Année de publication : 2013 Article en page(s) : pp. 14566–14576 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Density Fluidized bed Fluidization Bubbling Mixing Résumé : We report experimental observations of the dynamic behavior of single, magnetically tagged 3–4 mm particles varying in density from 0.55 g/cm3 to 1.2 g/cm3 as they migrate freely in a bubbling air-fluidized bed of 177–250 μm glass beads of 2.5 g/cm3 density over a range of air flows. The densities of the tracer particles (made by imbedding small magnets in wooden particles) were chosen to span a range typical for many biomass materials and exhibited both segregated and well-mixed behavior. Using high-speed measurements from externally mounted magnetic probes, we were able to reconstruct three-dimensional spatial and temporal information about the tracers’ trajectories over periods of five minutes. Based on this information, we describe general trends in how the tracers moved and redistributed themselves as functions of their density, fluidization air flow, and the overall concentration of low density particles present. One key finding was that the time average vertical probability distribution of the tracer particles locations is consistent with a Weibull distribution. The effective Weibull parameters appear to vary systematically with the degree of fluidization and particle density. Also, we observed that temporal autocorrelations in the vertical position of the tracer particles vary systematically with fluidization intensity and reveal important information about the dominant bed circulation time scales. Our results suggest that it may be possible to develop relatively simple statistical models or correlations for describing the spatial distribution and circulation of mm sized particles in bubbling beds of this type. Such tools should be useful for simulating some types of fluidized biomass processing and for validating kinetic-theory models of fluidized bed systems. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620371
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14566–14576[article] Observed mixing behavior of single particles in a bubbling fluidized bed of higher-density particles [texte imprimé] / Jack Halow, Auteur ; Kerri Holsopple, Auteur ; Benjamin Crawshaw, Auteur . - 2013 . - pp. 14566–14576.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14566–14576
Mots-clés : Density Fluidized bed Fluidization Bubbling Mixing Résumé : We report experimental observations of the dynamic behavior of single, magnetically tagged 3–4 mm particles varying in density from 0.55 g/cm3 to 1.2 g/cm3 as they migrate freely in a bubbling air-fluidized bed of 177–250 μm glass beads of 2.5 g/cm3 density over a range of air flows. The densities of the tracer particles (made by imbedding small magnets in wooden particles) were chosen to span a range typical for many biomass materials and exhibited both segregated and well-mixed behavior. Using high-speed measurements from externally mounted magnetic probes, we were able to reconstruct three-dimensional spatial and temporal information about the tracers’ trajectories over periods of five minutes. Based on this information, we describe general trends in how the tracers moved and redistributed themselves as functions of their density, fluidization air flow, and the overall concentration of low density particles present. One key finding was that the time average vertical probability distribution of the tracer particles locations is consistent with a Weibull distribution. The effective Weibull parameters appear to vary systematically with the degree of fluidization and particle density. Also, we observed that temporal autocorrelations in the vertical position of the tracer particles vary systematically with fluidization intensity and reveal important information about the dominant bed circulation time scales. Our results suggest that it may be possible to develop relatively simple statistical models or correlations for describing the spatial distribution and circulation of mm sized particles in bubbling beds of this type. Such tools should be useful for simulating some types of fluidized biomass processing and for validating kinetic-theory models of fluidized bed systems. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620371 Exemplaires
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Titre : Commercial zinc oxide : A facile, efficient, and Eco-friendly catalyst for the one-pot three-component synthesis of multisubstituted 2-aminothiophenes via the gewald reaction Type de document : texte imprimé Auteurs : Reza Tayebee, Auteur ; S. Javad Ahmadi, Auteur ; Esmaeil Rezaei Seresht, Auteur Année de publication : 2013 Article en page(s) : pp. 14577-14582 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Catalyst Résumé : An eco-friendly, simple, and effective protocol is developed for the synthesis of various multisubstituted 2-aminothiophenes. In the presence of a catalytic amount of ZnO (5 mol %), ketones or aldehydes, malononitrile and elemental sulfur were converted to the corresponding 2-aminothiophene derivatives in moderate to high yields (27%―70%) under solvent-free conditions at 100 °C. Zinc oxide as an efficient, readily available, and reusable catalyst, showed very good catalytic activity for the synthesis of 2-aminothiophene derivatives. Thus far, little research has been reported on the Gewald reaction under solventfree conditions; to the best of our knowledge, this is the first time that it has been proposed as an inexpensive and readily available catalyst for use in the target synthetic route. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620372
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14577-14582[article] Commercial zinc oxide : A facile, efficient, and Eco-friendly catalyst for the one-pot three-component synthesis of multisubstituted 2-aminothiophenes via the gewald reaction [texte imprimé] / Reza Tayebee, Auteur ; S. Javad Ahmadi, Auteur ; Esmaeil Rezaei Seresht, Auteur . - 2013 . - pp. 14577-14582.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 44 (Novembre 2012) . - pp. 14577-14582
Mots-clés : Catalyst Résumé : An eco-friendly, simple, and effective protocol is developed for the synthesis of various multisubstituted 2-aminothiophenes. In the presence of a catalytic amount of ZnO (5 mol %), ketones or aldehydes, malononitrile and elemental sulfur were converted to the corresponding 2-aminothiophene derivatives in moderate to high yields (27%―70%) under solvent-free conditions at 100 °C. Zinc oxide as an efficient, readily available, and reusable catalyst, showed very good catalytic activity for the synthesis of 2-aminothiophene derivatives. Thus far, little research has been reported on the Gewald reaction under solventfree conditions; to the best of our knowledge, this is the first time that it has been proposed as an inexpensive and readily available catalyst for use in the target synthetic route. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26620372 Exemplaires
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