[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9700-9703

Titre :	Transparent conducting oxide - free dye - sensitized solar cells based solely on flexible foils
Type de document :	texte imprimé
Auteurs :	Caio Bonilha, Auteur ; Joao E. Benedetti, Auteur ; Ana F. Nogueira, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9700-9703
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Dyes
Résumé :	Flexible, lightweight transparent conducting oxide-free dye-sensitized solar cells were assembled by using metal foils for constructing both electrodes. Because of the opacity of metal foils, a different architecture was employed to allow the illumination of the photoelectrode (PE). Thousands of micrometer-sized through holes were laser-drilled into one of the metal foils employed as PE substrate, providing an ionic pathway to the counter-electrode (CE). Larger hole diameters provided higher fill factor (FF) values. Higher performances were achieved by improving porous TiO2 layer deposition and electrolyte injection, along with a TiO2 blocking layer (BL) and metal foil surface treatment.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163307

[article] Transparent conducting oxide - free dye - sensitized solar cells based solely on flexible foils [texte imprimé] / Caio Bonilha, Auteur ; Joao E. Benedetti, Auteur ; Ana F. Nogueira, Auteur . - 2012 . - pp. 9700-9703.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9700-9703

Mots-clés :	Dyes
Résumé :	Flexible, lightweight transparent conducting oxide-free dye-sensitized solar cells were assembled by using metal foils for constructing both electrodes. Because of the opacity of metal foils, a different architecture was employed to allow the illumination of the photoelectrode (PE). Thousands of micrometer-sized through holes were laser-drilled into one of the metal foils employed as PE substrate, providing an ionic pathway to the counter-electrode (CE). Larger hole diameters provided higher fill factor (FF) values. Higher performances were achieved by improving porous TiO2 layer deposition and electrolyte injection, along with a TiO2 blocking layer (BL) and metal foil surface treatment.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163307

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9687-9699

Titre :	Optimized binary interaction parameters for VLE calculations of natural gas mixtures via cubic and molecular - based equations of state
Type de document :	texte imprimé
Auteurs :	Mert Atilhan, Auteur ; Santiago Aparicio, Auteur ; Kenneth R. Hall, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9687-9699
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Thermodynamic  properties  Equations  of  state  Gas  mixture  Natural  gas  Interaction  parameter
Résumé :	The objective of this study is to analyze the performance of a selected collection of equations of state (EOS) for the prediction of vapor-liquid equilibrium of the components of a typical natural gas mixture. In this work, 13 biparametric, triparametric, and tetraparametric, widely used simple-cubic-type EOS and three complex, but state-of-the-art, molecular-based EOS are used. A simple, one-fluid-based mixing rule was applied for the extension to mixtures of the models. Binary interaction parameters for the different equations were calculated by correlation of available binary vapor―liquid equilibria data in the experimental literature, in wide temperature―pressure ranges, for the key binary systems relevant to natural gases. The results allow one to infer the performance of the different EOS commonly used for phase equilibria analysis in the natural gas industry, and to study how the different complexity of the studied EOS does (or does not) lead to an improvement in the quality of the predictions.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163306

[article] Optimized binary interaction parameters for VLE calculations of natural gas mixtures via cubic and molecular - based equations of state [texte imprimé] / Mert Atilhan, Auteur ; Santiago Aparicio, Auteur ; Kenneth R. Hall, Auteur . - 2012 . - pp. 9687-9699.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9687-9699

Mots-clés :	Thermodynamic  properties  Equations  of  state  Gas  mixture  Natural  gas  Interaction  parameter
Résumé :	The objective of this study is to analyze the performance of a selected collection of equations of state (EOS) for the prediction of vapor-liquid equilibrium of the components of a typical natural gas mixture. In this work, 13 biparametric, triparametric, and tetraparametric, widely used simple-cubic-type EOS and three complex, but state-of-the-art, molecular-based EOS are used. A simple, one-fluid-based mixing rule was applied for the extension to mixtures of the models. Binary interaction parameters for the different equations were calculated by correlation of available binary vapor―liquid equilibria data in the experimental literature, in wide temperature―pressure ranges, for the key binary systems relevant to natural gases. The results allow one to infer the performance of the different EOS commonly used for phase equilibria analysis in the natural gas industry, and to study how the different complexity of the studied EOS does (or does not) lead to an improvement in the quality of the predictions.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163306

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9679-9686

Titre :	Visualization of models predicting transmembrane pressure jump for membrane bioreactor
Type de document :	texte imprimé
Auteurs :	Hiromasa Kaneko, Auteur ; Kimito Funatsu, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9679-9686
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Bioreactor  Membrane  reactor  Prediction  Modeling
Résumé :	Membrane bioreactors (MBRs) have been widely used to purify wastewater for reuse. However, MBRs are subject to fouling, which is the phenomenon whereby foulants absorb or deposit on the membrane. After the operation of MBRs in the long term under constant-rate filtration, transmembrane pressure (TMP) increases rapidly. We previously proposed a model predicting the time of this TMP jump, but it is difficult to investigate optimal operating conditions and parameters where TMP jumps can be prevented from occurring. In this paper, we have proposed to visualize the domains where the discriminant model estimates TMP jumps will happen by using visualization methods. In prediction, new data are projected to the map, and accordingly, we can discuss the possibility of TMP jumps and optimal MBR conditions in the future. The performance of the proposed method was confirmed through the analyses of two data sets obtained from other papers.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163305

[article] Visualization of models predicting transmembrane pressure jump for membrane bioreactor [texte imprimé] / Hiromasa Kaneko, Auteur ; Kimito Funatsu, Auteur . - 2012 . - pp. 9679-9686.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9679-9686

Mots-clés :	Bioreactor  Membrane  reactor  Prediction  Modeling
Résumé :	Membrane bioreactors (MBRs) have been widely used to purify wastewater for reuse. However, MBRs are subject to fouling, which is the phenomenon whereby foulants absorb or deposit on the membrane. After the operation of MBRs in the long term under constant-rate filtration, transmembrane pressure (TMP) increases rapidly. We previously proposed a model predicting the time of this TMP jump, but it is difficult to investigate optimal operating conditions and parameters where TMP jumps can be prevented from occurring. In this paper, we have proposed to visualize the domains where the discriminant model estimates TMP jumps will happen by using visualization methods. In prediction, new data are projected to the map, and accordingly, we can discuss the possibility of TMP jumps and optimal MBR conditions in the future. The performance of the proposed method was confirmed through the analyses of two data sets obtained from other papers.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163305

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9669-9678

Titre :	Synthesis and rust preventing properties of dodecyl succinate derivatives containing triazole groups
Type de document :	texte imprimé
Auteurs :	Seung-Yeob Baek, Auteur ; Young-Wun Kim, Auteur ; Seung Hyun Yoon, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9669-9678
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Properties  Dodecyl  succinate  derivatives
Résumé :	Green corrosion inhibitors, n-dodecyl succinate derivatives containing one (HSE) or two triazole groups (DSE), were prepared by three step reactions, that is, nucleophilic substitution reaction, click coupling reaction, and esterification reaction. The characterization results obtained from 1H NMR, FT-IR, and elemental analysis indicated that the succinate derivatives were synthesized successfully. The rust preventing properties of the final products were also investigated using both ASTM D665 and weight loss methods. It was found that the strength of rust-preventing property due to the presence of succinate derivatives in paraffin oil was largely determined by the concentration of alkyl chains, not by their length or by the types of functional groups.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie300316f

[article] Synthesis and rust preventing properties of dodecyl succinate derivatives containing triazole groups [texte imprimé] / Seung-Yeob Baek, Auteur ; Young-Wun Kim, Auteur ; Seung Hyun Yoon, Auteur . - 2012 . - pp. 9669-9678.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9669-9678

Mots-clés :	Properties  Dodecyl  succinate  derivatives
Résumé :	Green corrosion inhibitors, n-dodecyl succinate derivatives containing one (HSE) or two triazole groups (DSE), were prepared by three step reactions, that is, nucleophilic substitution reaction, click coupling reaction, and esterification reaction. The characterization results obtained from 1H NMR, FT-IR, and elemental analysis indicated that the succinate derivatives were synthesized successfully. The rust preventing properties of the final products were also investigated using both ASTM D665 and weight loss methods. It was found that the strength of rust-preventing property due to the presence of succinate derivatives in paraffin oil was largely determined by the concentration of alkyl chains, not by their length or by the types of functional groups.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie300316f

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9661-9668

Titre :	Solutions of alkylammonium and bulky anions : Description of osmotic coefficients within the binding mean spherical approximation
Type de document :	texte imprimé
Auteurs :	Nicolas Papaiconomou, Auteur ; Jean-Pierre Simonin, Auteur ; Olivier Bernard, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9661-9668
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Approximation  Osmotic  coefficient
Résumé :	The binding mean spherical approximation (BiMSA) is used to describe osmotic coefficients for aqueous solutions of salts containing alkylammonium cations or bulky anions. A total of 35 salt solutions is accurately described at 25 °C over the whole concentration range, up to very high concentrations such as 20 mol·kg―1 for methylammonium chloride or 24 mol·kg―1 for ammonium thiocyanate. The ion diameters, the permittivity of solution, and the association constant are adjustable parameters within the BiMSA model. New diameter values are assigned to alkylammonium cations and bulky anions such as tetrafluoroborate, alkanesulfonates, methylsulfate, trifluoroacetate, or trifluoromethanesulfonate anions. Alkylammonium sizes are in reasonable agreement with literature values. Besides, association constants values obtained within the BiMSA model compare well with literature values when available.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163303

[article] Solutions of alkylammonium and bulky anions : Description of osmotic coefficients within the binding mean spherical approximation [texte imprimé] / Nicolas Papaiconomou, Auteur ; Jean-Pierre Simonin, Auteur ; Olivier Bernard, Auteur . - 2012 . - pp. 9661-9668.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9661-9668

Mots-clés :	Approximation  Osmotic  coefficient
Résumé :	The binding mean spherical approximation (BiMSA) is used to describe osmotic coefficients for aqueous solutions of salts containing alkylammonium cations or bulky anions. A total of 35 salt solutions is accurately described at 25 °C over the whole concentration range, up to very high concentrations such as 20 mol·kg―1 for methylammonium chloride or 24 mol·kg―1 for ammonium thiocyanate. The ion diameters, the permittivity of solution, and the association constant are adjustable parameters within the BiMSA model. New diameter values are assigned to alkylammonium cations and bulky anions such as tetrafluoroborate, alkanesulfonates, methylsulfate, trifluoroacetate, or trifluoromethanesulfonate anions. Alkylammonium sizes are in reasonable agreement with literature values. Besides, association constants values obtained within the BiMSA model compare well with literature values when available.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163303

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9652-9660

Titre :	Separation of Zr from Hf in hydrochloric acid solution using amine - based extractants
Type de document :	texte imprimé
Auteurs :	Raju Banda, Auteur ; Hwa Young Lee, Auteur ; Man Seung Lee, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9652-9660
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Hydrochloric  acid
Résumé :	Liquid–liquid extraction studies have been performed to investigate the selective extraction of zirconium (Zr) and hafnium (Hf) in hydrochloric acid medium. For this purpose, several amine-based extractants were used at varying concentrations of extractants and HCl. Among the tested extractants, Alamine 336 showed good selectivity for Zr over Hf and led to the highest separation factor. A McCabe–Thiele diagram was constructed for the extraction of Zr with Alamine 336 in kerosene, and the tested batch simulation of counter-current extraction studies showed that the extractions of Zr and Hf impurities were 98.5% and 12.5%, respectively. The coextracted Hf was scrubbed with dilute H2SO4 solution, and complete stripping of Zr was successfully achieved from the loaded organic phase by simple contact with 1 M HCl solution.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie3008264

[article] Separation of Zr from Hf in hydrochloric acid solution using amine - based extractants [texte imprimé] / Raju Banda, Auteur ; Hwa Young Lee, Auteur ; Man Seung Lee, Auteur . - 2012 . - pp. 9652-9660.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9652-9660

Mots-clés :	Hydrochloric  acid
Résumé :	Liquid–liquid extraction studies have been performed to investigate the selective extraction of zirconium (Zr) and hafnium (Hf) in hydrochloric acid medium. For this purpose, several amine-based extractants were used at varying concentrations of extractants and HCl. Among the tested extractants, Alamine 336 showed good selectivity for Zr over Hf and led to the highest separation factor. A McCabe–Thiele diagram was constructed for the extraction of Zr with Alamine 336 in kerosene, and the tested batch simulation of counter-current extraction studies showed that the extractions of Zr and Hf impurities were 98.5% and 12.5%, respectively. The coextracted Hf was scrubbed with dilute H2SO4 solution, and complete stripping of Zr was successfully achieved from the loaded organic phase by simple contact with 1 M HCl solution.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie3008264

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9642-9651

Titre :	Liquid – liquid equilibria in ternary mixtures of methyl oleate + ethanol + glycerol at atmospheric pressure
Type de document :	texte imprimé
Auteurs :	Alfonsina Ester Andreatta, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9642-9651
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Atmospheric  pressure  Ternary  mixture  Phase  equilibrium  Liquid  liquid  equilibrium
Résumé :	The knowledge and the ability to describe the phase equilibrium behavior of systems composed of transesterification products are very important in the optimization of biodiesel production and purification process. In this work, liquid-liquid equilibrium data have been measured for the ternary system methyl oleate + ethanol + glycerol, at temperatures between 303 and 333 K. This system has not been explored before. The experimental data measured were compared with analogous ternary systems showing an increasing of the solubility regarding the systems containing methanol. The isothermal experimental data have shown a good linear fit in an Othmer-Tobias plot. The group contribution with association GCA―EoS equation of state and the A-UNIFAC model were applied to represent the phase equilibria of this ternary system. The GCA―EoS model in particular, has shown a good predictive capability.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163301

[article] Liquid – liquid equilibria in ternary mixtures of methyl oleate + ethanol + glycerol at atmospheric pressure [texte imprimé] / Alfonsina Ester Andreatta, Auteur . - 2012 . - pp. 9642-9651.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9642-9651

Mots-clés :	Atmospheric  pressure  Ternary  mixture  Phase  equilibrium  Liquid  liquid  equilibrium
Résumé :	The knowledge and the ability to describe the phase equilibrium behavior of systems composed of transesterification products are very important in the optimization of biodiesel production and purification process. In this work, liquid-liquid equilibrium data have been measured for the ternary system methyl oleate + ethanol + glycerol, at temperatures between 303 and 333 K. This system has not been explored before. The experimental data measured were compared with analogous ternary systems showing an increasing of the solubility regarding the systems containing methanol. The isothermal experimental data have shown a good linear fit in an Othmer-Tobias plot. The group contribution with association GCA―EoS equation of state and the A-UNIFAC model were applied to represent the phase equilibria of this ternary system. The GCA―EoS model in particular, has shown a good predictive capability.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163301

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9634-9641

Titre :	Removal of arsenic and heavy metals from potable water by bauxsol immobilized onto wool fibers
Type de document :	texte imprimé
Auteurs :	M. Mahbubul Hassan, Auteur ; J. Falcon Davies-McConchie, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9634-9641
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Drinking  water  Heavy  metal
Résumé :	Arsenic and heavy metals in drinking water are of particular concern. Of them arsenic is the most potent toxin as well as it is a carcinogen. Arsenic exists in groundwater as uncharged arsenite or anionic arsenate depending on the reducing or oxidizing environment, and the former is more toxic and more difficult to remove than the latter. In this work, varous types of filters made from Bauxsol immobilized onto wool were investigated to remove arsenite and heavy metals from water. Several techniques were investigated to immobilize Bauxsol onto wool, and of them the exhaustion technique was found the best. Two types of Bauxsol, unneutralized (Bauxsol-A) and acid-neutralized (Bauxsol-B), have been investigated, and the removal efficiency of arsenite by Bauxsol-B was found considerably higher (53.3%) than that of Bauxsol-A (34.4%). A pilot-scale trial of Bauxsol-B-bonded wool fiber-packed column-based filtration system showed that it successfully removed arsenite, lead, copper, and zinc from water, but the best results were obtained for the removal of lead and copper as their removal reached 100 and 96%, respectively. The increase in contact time had a significant effect on the removal efficiency; e.g., the removal of copper increased from 10.2 to 96% when the contact time was increased from 5.4 to 86.4 min. The developed filtration system could be used for the removal of arsenic, lead, copper, and zinc from potable water.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163300

[article] Removal of arsenic and heavy metals from potable water by bauxsol immobilized onto wool fibers [texte imprimé] / M. Mahbubul Hassan, Auteur ; J. Falcon Davies-McConchie, Auteur . - 2012 . - pp. 9634-9641.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9634-9641

Mots-clés :	Drinking  water  Heavy  metal
Résumé :	Arsenic and heavy metals in drinking water are of particular concern. Of them arsenic is the most potent toxin as well as it is a carcinogen. Arsenic exists in groundwater as uncharged arsenite or anionic arsenate depending on the reducing or oxidizing environment, and the former is more toxic and more difficult to remove than the latter. In this work, varous types of filters made from Bauxsol immobilized onto wool were investigated to remove arsenite and heavy metals from water. Several techniques were investigated to immobilize Bauxsol onto wool, and of them the exhaustion technique was found the best. Two types of Bauxsol, unneutralized (Bauxsol-A) and acid-neutralized (Bauxsol-B), have been investigated, and the removal efficiency of arsenite by Bauxsol-B was found considerably higher (53.3%) than that of Bauxsol-A (34.4%). A pilot-scale trial of Bauxsol-B-bonded wool fiber-packed column-based filtration system showed that it successfully removed arsenite, lead, copper, and zinc from water, but the best results were obtained for the removal of lead and copper as their removal reached 100 and 96%, respectively. The increase in contact time had a significant effect on the removal efficiency; e.g., the removal of copper increased from 10.2 to 96% when the contact time was increased from 5.4 to 86.4 min. The developed filtration system could be used for the removal of arsenic, lead, copper, and zinc from potable water.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163300

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9620-9633

Titre :	Closed - loop identification of second - order plus time delay (SOPTD) model of multivariable systems by optimization method
Type de document :	texte imprimé
Auteurs :	C. Rajapandiyan, Auteur ; M. Chidambaram, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9620-9633
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Optimization  Multivariable  system  Modeling  Second  order  Closed  loop
Résumé :	The closed-loop identification of second-order plus time delay (SOPTD) transfer function models of multivariable systems is presented based on optimization method using the combined step-up and step-down responses. The need for combined step up and step down changes in the set point is brought out for the convergence of the model parameters. A standard nonlinear least-squares optimization method is used to obtain the parameters of the SOPTD model transfer function matrix by minimizing the sum of squared errors between the closed-loop responses of the model and the actual process responses. A simple method is proposed to obtain the initial guess values of SOPTD transfer function model parameters from the main and interaction responses of the actual process. This method was applied to two-input two-output (TITO) second-order plus time delay (SOPTD), higher order and 3 × 3 SOPTD transfer function models of multivariable systems. The proposed method considerably reduces the computational time for the optimization for 2 × 2 SOPTD model systems (11 min and 11 s) when compared with the genetic algorithm (GA) method reported by Viswanathan et al. (Ind. Eng. Chem. Res. 2001, 40, 2818-2826).
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163299

[article] Closed - loop identification of second - order plus time delay (SOPTD) model of multivariable systems by optimization method [texte imprimé] / C. Rajapandiyan, Auteur ; M. Chidambaram, Auteur . - 2012 . - pp. 9620-9633.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9620-9633

Mots-clés :	Optimization  Multivariable  system  Modeling  Second  order  Closed  loop
Résumé :	The closed-loop identification of second-order plus time delay (SOPTD) transfer function models of multivariable systems is presented based on optimization method using the combined step-up and step-down responses. The need for combined step up and step down changes in the set point is brought out for the convergence of the model parameters. A standard nonlinear least-squares optimization method is used to obtain the parameters of the SOPTD model transfer function matrix by minimizing the sum of squared errors between the closed-loop responses of the model and the actual process responses. A simple method is proposed to obtain the initial guess values of SOPTD transfer function model parameters from the main and interaction responses of the actual process. This method was applied to two-input two-output (TITO) second-order plus time delay (SOPTD), higher order and 3 × 3 SOPTD transfer function models of multivariable systems. The proposed method considerably reduces the computational time for the optimization for 2 × 2 SOPTD model systems (11 min and 11 s) when compared with the genetic algorithm (GA) method reported by Viswanathan et al. (Ind. Eng. Chem. Res. 2001, 40, 2818-2826).
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163299

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9609-9619

Titre :	Formation of thermal wave trains in loop reactors : Stability limits and spatiotemporal structure for reversible reactions
Type de document :	texte imprimé
Auteurs :	Pietro Altimari, Auteur ; Erasmo Mancusi, Auteur ; Silvestro Crescitelli, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9609-9619
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Reversible  reaction  Stability  Reactor  Thermal  wave
Résumé :	Networks of fixed bed reactors with periodically switched inlet and outlet sections are studied with reference to equilibrium limited reactions. The methanol synthesis is selected as representative reaction example and the mechanisms governing the emergence of periodic regimes corresponding to trains of traveling thermal waves are analyzed. Analytical approximations, accounting for the influence of the implemented switching strategy and in satisfactory agreement with numerical simulation, are derived for the switch time stability limits in terms of temperature fronts velocities. Large and sudden variations in the switch time stability range of any wave train solution are demonstrated to occur when the sum of the velocities of declining temperature fronts exceeds the sum of the velocities of rising temperature fronts. The illustrated results provide indications on how to design and operate the network so as to generate thermal wave trains with desired number of waves and stability limits.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163298

[article] Formation of thermal wave trains in loop reactors : Stability limits and spatiotemporal structure for reversible reactions [texte imprimé] / Pietro Altimari, Auteur ; Erasmo Mancusi, Auteur ; Silvestro Crescitelli, Auteur . - 2012 . - pp. 9609-9619.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9609-9619

Mots-clés :	Reversible  reaction  Stability  Reactor  Thermal  wave
Résumé :	Networks of fixed bed reactors with periodically switched inlet and outlet sections are studied with reference to equilibrium limited reactions. The methanol synthesis is selected as representative reaction example and the mechanisms governing the emergence of periodic regimes corresponding to trains of traveling thermal waves are analyzed. Analytical approximations, accounting for the influence of the implemented switching strategy and in satisfactory agreement with numerical simulation, are derived for the switch time stability limits in terms of temperature fronts velocities. Large and sudden variations in the switch time stability range of any wave train solution are demonstrated to occur when the sum of the velocities of declining temperature fronts exceeds the sum of the velocities of rising temperature fronts. The illustrated results provide indications on how to design and operate the network so as to generate thermal wave trains with desired number of waves and stability limits.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163298

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9598-9608

Titre :	Multibatch model predictive control for repetitive batch operation with input – output linearization
Type de document :	texte imprimé
Auteurs :	Junghui Chen, Auteur ; Yu-Hung Lin, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9598-9608
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Linearization  Batchwise  Predictive  control  Modeling
Résumé :	Because of the repetitive nature of the batch process, in conventional batch process control, the start of the subsequent batch is often assumed to be the same as that of the prior batch. Nevertheless, in real operation, under the influence of various exterior factors, most batch processes involve gradual changes over batches and, thus, the end-point condition would affect the start of the subsequent process batch. The initial condition at each batch may not be reset to be the desired initial condition. In order to ensure an optimum operation, it is essential to taking into account the effect of the previous batch. In this paper, a multibatch dynamics model is derived. It takes into account this batchwise dynamics. The derived process model can provide the benefits of better prediction and performance. In order to overcome the problem of nonlinearity in the batch process, the nonlinear process is transformed to a linear process through input-output feedback linearization. The identification method of the multibatch model is proposed for such batch processes, and the model will be able to reflect the particular type of batch process, which can be transformed to a linear input-output relation. Based on this model, a model predictive control scheme is derived for the case of unconstrained control as well as constrained control. The applications are discussed through a fed-batch reactor problem for the biosynthesis of penicillin to demonstrate the advantages of the proposed method, in comparison with the conventional methods.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163297

[article] Multibatch model predictive control for repetitive batch operation with input – output linearization [texte imprimé] / Junghui Chen, Auteur ; Yu-Hung Lin, Auteur . - 2012 . - pp. 9598-9608.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9598-9608

Mots-clés :	Linearization  Batchwise  Predictive  control  Modeling
Résumé :	Because of the repetitive nature of the batch process, in conventional batch process control, the start of the subsequent batch is often assumed to be the same as that of the prior batch. Nevertheless, in real operation, under the influence of various exterior factors, most batch processes involve gradual changes over batches and, thus, the end-point condition would affect the start of the subsequent process batch. The initial condition at each batch may not be reset to be the desired initial condition. In order to ensure an optimum operation, it is essential to taking into account the effect of the previous batch. In this paper, a multibatch dynamics model is derived. It takes into account this batchwise dynamics. The derived process model can provide the benefits of better prediction and performance. In order to overcome the problem of nonlinearity in the batch process, the nonlinear process is transformed to a linear process through input-output feedback linearization. The identification method of the multibatch model is proposed for such batch processes, and the model will be able to reflect the particular type of batch process, which can be transformed to a linear input-output relation. Based on this model, a model predictive control scheme is derived for the case of unconstrained control as well as constrained control. The applications are discussed through a fed-batch reactor problem for the biosynthesis of penicillin to demonstrate the advantages of the proposed method, in comparison with the conventional methods.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163297

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9591-9597

Titre :	Recrystallization and micronization of taxol using the supercritical antisolvent (SAS) process
Type de document :	texte imprimé
Auteurs :	Xiuhua Zhao, Auteur ; Xiaoqiang Chen, Auteur ; Yuangang Zu, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9591-9597
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Supercritical  state  Recrystallization
Résumé :	Recrystallization and micronization of taxol solubilized in EtOH has been performed using the supercritical antisolvent precipitation (SAS). An orthogonal array design (OAD), OAD16 (45), was employed to optimize parameters of the SAS process. We obtained microparticles and nanoparticles of taxol, the minimum mean particle size (MPS) of which was about 150.5 nm under the selected conditions, 2.5 mg/mL of the concentration of the drug solution, 57 °C of process temperature, 20 MPa of process pressure, 150 μm of nozzle internal diameter (ID), and 6.6 mL/min of drug solution flow rate. The micronized product has also been characterized using scanning electron microscopy (SEM), high performance liquid chromatography-mass spectrometry (LC-MS), X-ray diffraction (XRD), differential scanning calorimetry (DSC), and Fourier-transform infrared spectroscopy (FTIR), to verify the influence of the micronization process on the final product properties. Results showed that SAS process had not induced degradation of taxol and that micronized taxol particles had lower crystallinity. These results suggest that micronized powder of taxol has a great potential to be a drug delivery system in cancer therapy
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163296

[article] Recrystallization and micronization of taxol using the supercritical antisolvent (SAS) process [texte imprimé] / Xiuhua Zhao, Auteur ; Xiaoqiang Chen, Auteur ; Yuangang Zu, Auteur . - 2012 . - pp. 9591-9597.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9591-9597

Mots-clés :	Supercritical  state  Recrystallization
Résumé :	Recrystallization and micronization of taxol solubilized in EtOH has been performed using the supercritical antisolvent precipitation (SAS). An orthogonal array design (OAD), OAD16 (45), was employed to optimize parameters of the SAS process. We obtained microparticles and nanoparticles of taxol, the minimum mean particle size (MPS) of which was about 150.5 nm under the selected conditions, 2.5 mg/mL of the concentration of the drug solution, 57 °C of process temperature, 20 MPa of process pressure, 150 μm of nozzle internal diameter (ID), and 6.6 mL/min of drug solution flow rate. The micronized product has also been characterized using scanning electron microscopy (SEM), high performance liquid chromatography-mass spectrometry (LC-MS), X-ray diffraction (XRD), differential scanning calorimetry (DSC), and Fourier-transform infrared spectroscopy (FTIR), to verify the influence of the micronization process on the final product properties. Results showed that SAS process had not induced degradation of taxol and that micronized taxol particles had lower crystallinity. These results suggest that micronized powder of taxol has a great potential to be a drug delivery system in cancer therapy
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163296

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9571-9580

Titre :	Iron - based nanoparticles for toxic organic degradation : Silica platform and green synthesis
Type de document :	texte imprimé
Auteurs :	Noah D. Meeks, Auteur ; Vasile Smuleac, Auteur ; Christopher Stevens, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9571-9580
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Filler  Nanocomposite  Creep
Résumé :	This work intends to produce smart materials for use in advanced applications such as artificial load resisting tissues and articular implants by exploiting the good strength of carbon nanofibers (CNFs) and the excellent biocompatibility of polydimethylsiloxane (PDMS). In this work, a series of CNF/PDMS nanocomposites was fabricated by varying the method of preparation and nanofiber surface modification. Dynamic mechanical properties and creep behavior of these hybrid materials were studied in order to comprehend the reinforcing effect of the nanofibers on the polymer matrix. The improvement was overwhelming with 74% enhancement in storage modulus and 1100% reduction in creep compliance for just 4 phr of amine modified CNF. Property improvement in the nanocomposites is a function of the extent of nanofiber dispersion in the polymer matrix which was examined by High Resolution Transmission Electron Microscopy (HRTEM) and Field Emission Scanning Electron Microscopy (FESEM).
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163294

[article] Iron - based nanoparticles for toxic organic degradation : Silica platform and green synthesis [texte imprimé] / Noah D. Meeks, Auteur ; Vasile Smuleac, Auteur ; Christopher Stevens, Auteur . - 2012 . - pp. 9571-9580.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9571-9580

Mots-clés :	Filler  Nanocomposite  Creep
Résumé :	This work intends to produce smart materials for use in advanced applications such as artificial load resisting tissues and articular implants by exploiting the good strength of carbon nanofibers (CNFs) and the excellent biocompatibility of polydimethylsiloxane (PDMS). In this work, a series of CNF/PDMS nanocomposites was fabricated by varying the method of preparation and nanofiber surface modification. Dynamic mechanical properties and creep behavior of these hybrid materials were studied in order to comprehend the reinforcing effect of the nanofibers on the polymer matrix. The improvement was overwhelming with 74% enhancement in storage modulus and 1100% reduction in creep compliance for just 4 phr of amine modified CNF. Property improvement in the nanocomposites is a function of the extent of nanofiber dispersion in the polymer matrix which was examined by High Resolution Transmission Electron Microscopy (HRTEM) and Field Emission Scanning Electron Microscopy (FESEM).
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163294

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9571-9580

Titre :	Dynamic transitions and creep in carbon nanofiber / polydimethylsiloxane nanocomposites with meticulously architectured polymer – filler interfaces
Type de document :	texte imprimé
Auteurs :	Nabarun Roy, Auteur ; Anil K. Bhowmick, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9571-9580
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Filler  Nanocomposite  Creep
Résumé :	This work intends to produce smart materials for use in advanced applications such as artificial load resisting tissues and articular implants by exploiting the good strength of carbon nanofibers (CNFs) and the excellent biocompatibility of polydimethylsiloxane (PDMS). In this work, a series of CNF/PDMS nanocomposites was fabricated by varying the method of preparation and nanofiber surface modification. Dynamic mechanical properties and creep behavior of these hybrid materials were studied in order to comprehend the reinforcing effect of the nanofibers on the polymer matrix. The improvement was overwhelming with 74% enhancement in storage modulus and 1100% reduction in creep compliance for just 4 phr of amine modified CNF. Property improvement in the nanocomposites is a function of the extent of nanofiber dispersion in the polymer matrix which was examined by High Resolution Transmission Electron Microscopy (HRTEM) and Field Emission Scanning Electron Microscopy (FESEM).
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163294

[article] Dynamic transitions and creep in carbon nanofiber / polydimethylsiloxane nanocomposites with meticulously architectured polymer – filler interfaces [texte imprimé] / Nabarun Roy, Auteur ; Anil K. Bhowmick, Auteur . - 2012 . - pp. 9571-9580.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9571-9580

Mots-clés :	Filler  Nanocomposite  Creep
Résumé :	This work intends to produce smart materials for use in advanced applications such as artificial load resisting tissues and articular implants by exploiting the good strength of carbon nanofibers (CNFs) and the excellent biocompatibility of polydimethylsiloxane (PDMS). In this work, a series of CNF/PDMS nanocomposites was fabricated by varying the method of preparation and nanofiber surface modification. Dynamic mechanical properties and creep behavior of these hybrid materials were studied in order to comprehend the reinforcing effect of the nanofibers on the polymer matrix. The improvement was overwhelming with 74% enhancement in storage modulus and 1100% reduction in creep compliance for just 4 phr of amine modified CNF. Property improvement in the nanocomposites is a function of the extent of nanofiber dispersion in the polymer matrix which was examined by High Resolution Transmission Electron Microscopy (HRTEM) and Field Emission Scanning Electron Microscopy (FESEM).
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163294

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9564–9570

Titre :	Design rules for microgel - supported adhesives
Type de document :	texte imprimé
Auteurs :	Quan Wen, Auteur ; Robert Pelton, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9564–9570
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Microgel
Résumé :	The ability of carboxylated PNIPAM microgels bearing adsorbed PVAm to increase the strength of wet paper and wet cellulose film laminates was measured as a function of the microgel diameter, cross-linking degree, PVAm molecular weight, and roughness of the cellulose substrates. The experimental results and simulations from a model led to the following design rules: (1) For low microgel dosages, small microgels are better because they cover more surface; however, very small gels can get buried in pores. (2) For high microgel dosages, larger gels are better because a saturated monolayer of adsorbed large gels puts more adhesive in the joints. (3) Adhesion increases with decreasing microgel modulus (cross-linking). (4) Adhesion is not sensitive to the molecular weight of the reactive PVAm microgel coating polymer.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie3009428

[article] Design rules for microgel - supported adhesives [texte imprimé] / Quan Wen, Auteur ; Robert Pelton, Auteur . - 2012 . - pp. 9564–9570.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9564–9570

Mots-clés :	Microgel
Résumé :	The ability of carboxylated PNIPAM microgels bearing adsorbed PVAm to increase the strength of wet paper and wet cellulose film laminates was measured as a function of the microgel diameter, cross-linking degree, PVAm molecular weight, and roughness of the cellulose substrates. The experimental results and simulations from a model led to the following design rules: (1) For low microgel dosages, small microgels are better because they cover more surface; however, very small gels can get buried in pores. (2) For high microgel dosages, larger gels are better because a saturated monolayer of adsorbed large gels puts more adhesive in the joints. (3) Adhesion increases with decreasing microgel modulus (cross-linking). (4) Adhesion is not sensitive to the molecular weight of the reactive PVAm microgel coating polymer.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie3009428

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9554-9563

Titre :	Regulation of critical ethanol response concentrations of ethanol - responsive smart gating membranes
Type de document :	texte imprimé
Auteurs :	Peng-Fei Li, Auteur ; Rui Xie, Auteur ; Heng Fan, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9554-9563
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Regulation
Résumé :	investigated by preparing a series of gating membranes with grafted poly(N-isopropylacrylamide) (PNIPAM) and PNIPAM-based copolymer gates. A porous Nylon-6 (N6) membrane is used as the substrate membrane, and the surface-initiated atom transfer radical polymerization (ATRP) method is employed to graft polymers onto the substrate membrane. Fourier Transform Infrared Spectrometer (FT-IR) is used to determine chemical compositions of the prepared membranes, and Scanning Electron Microscope (SEM) is used to investigate the microstructures of membranes. The fluxes of ethanol solutions across different membranes are studied systematically by changing the ethanol concentration. The results show that the introduction of hydrophilic monomer N,N-dimethylacrylamide (DMAA) or hydrophobic monomer butyl methacrylate (BMA) into the grafted PNIPAM-based gates can effectively regulate the critical ethanol response concentration of the gating membranes. The quantitative relationships between the critical ethanol response concentration of the grafted membranes and the lower critical solution temperature (LCST) in water of the PNIPAM-based functional gates are summarized in this study for the first time, by which the critical ethanol response concentration of the grafted membranes can be effectively predicted. The results provide valuable guidance for designing and preparing ethanol-responsive gating membranes with adjustable critical ethanol response concentrations by simply regulating the LCST in water of the grafted PNIPAM-based gates and controlling the operation temperature.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163292

[article] Regulation of critical ethanol response concentrations of ethanol - responsive smart gating membranes [texte imprimé] / Peng-Fei Li, Auteur ; Rui Xie, Auteur ; Heng Fan, Auteur . - 2012 . - pp. 9554-9563.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9554-9563

Mots-clés :	Regulation
Résumé :	investigated by preparing a series of gating membranes with grafted poly(N-isopropylacrylamide) (PNIPAM) and PNIPAM-based copolymer gates. A porous Nylon-6 (N6) membrane is used as the substrate membrane, and the surface-initiated atom transfer radical polymerization (ATRP) method is employed to graft polymers onto the substrate membrane. Fourier Transform Infrared Spectrometer (FT-IR) is used to determine chemical compositions of the prepared membranes, and Scanning Electron Microscope (SEM) is used to investigate the microstructures of membranes. The fluxes of ethanol solutions across different membranes are studied systematically by changing the ethanol concentration. The results show that the introduction of hydrophilic monomer N,N-dimethylacrylamide (DMAA) or hydrophobic monomer butyl methacrylate (BMA) into the grafted PNIPAM-based gates can effectively regulate the critical ethanol response concentration of the gating membranes. The quantitative relationships between the critical ethanol response concentration of the grafted membranes and the lower critical solution temperature (LCST) in water of the PNIPAM-based functional gates are summarized in this study for the first time, by which the critical ethanol response concentration of the grafted membranes can be effectively predicted. The results provide valuable guidance for designing and preparing ethanol-responsive gating membranes with adjustable critical ethanol response concentrations by simply regulating the LCST in water of the grafted PNIPAM-based gates and controlling the operation temperature.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163292

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9546–9553

Titre :	Creation of self - organized complex meso patterns in sol – gel thin films by confined capillary dynamics
Type de document :	texte imprimé
Auteurs :	Rimlee Deb Roy, Auteur ; Devika Sil, Auteur ; Sunirmal Jana, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9546–9553
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Sol  Dynamics
Résumé :	We report a simple and facile technique for creating complex mesoscale patterns with two-dimensional (2-D) orders on the surface of a sol–gel derived silica thin films using a combination of a topographically patterned stamp and a substrate, each having a one-dimensional (1-D) grating structure (stripes). The self-organized pattern formation results as a consequence of capillary flow of the sol film in liquid state under a confining stamp. The key novel aspect of the work lies in using a topographically patterned substrate, dip coating on which results in a film with an undulating top surface. When a grating stamp is brought in conformal contact with such a film in a manner so that the direction of the stamp stripes are at right angles to the direction of the undulations on the film surface, a periodically ordered spatial variation in the extent of contact between the film and the stamp results. Subsequent capillary flow of the liquid sol along the stamp walls occurs only at the locations where the stamp surface and the film are in direct contact, resulting in an array of pillars with 2-D order. We further show that the morphology of the final patterns can be tailored by varying various parameters such as the initial film thickness, wettability of the stamp, and periodicity of the substrate. We further discuss the gradual oxidation of the sol film with progressive thermal annealing and the associated shrinkage of the structures in terms of pattern dimensions. Generation of meso patterns with 2-D order on an inorganic sol–gel film surface using a stamp and a substrate, each having strictly 1-D features, is the key novel aspect of the work, as it is a rare example when patterns other than a mere negative replica of a stamp are created on a sol–gel thin film by any soft lithography technique.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie300012m

[article] Creation of self - organized complex meso patterns in sol – gel thin films by confined capillary dynamics [texte imprimé] / Rimlee Deb Roy, Auteur ; Devika Sil, Auteur ; Sunirmal Jana, Auteur . - 2012 . - pp. 9546–9553.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9546–9553

Mots-clés :	Sol  Dynamics
Résumé :	We report a simple and facile technique for creating complex mesoscale patterns with two-dimensional (2-D) orders on the surface of a sol–gel derived silica thin films using a combination of a topographically patterned stamp and a substrate, each having a one-dimensional (1-D) grating structure (stripes). The self-organized pattern formation results as a consequence of capillary flow of the sol film in liquid state under a confining stamp. The key novel aspect of the work lies in using a topographically patterned substrate, dip coating on which results in a film with an undulating top surface. When a grating stamp is brought in conformal contact with such a film in a manner so that the direction of the stamp stripes are at right angles to the direction of the undulations on the film surface, a periodically ordered spatial variation in the extent of contact between the film and the stamp results. Subsequent capillary flow of the liquid sol along the stamp walls occurs only at the locations where the stamp surface and the film are in direct contact, resulting in an array of pillars with 2-D order. We further show that the morphology of the final patterns can be tailored by varying various parameters such as the initial film thickness, wettability of the stamp, and periodicity of the substrate. We further discuss the gradual oxidation of the sol film with progressive thermal annealing and the associated shrinkage of the structures in terms of pattern dimensions. Generation of meso patterns with 2-D order on an inorganic sol–gel film surface using a stamp and a substrate, each having strictly 1-D features, is the key novel aspect of the work, as it is a rare example when patterns other than a mere negative replica of a stamp are created on a sol–gel thin film by any soft lithography technique.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie300012m

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9540-9545

Titre :	Solidification of MSWI ash at low temperature of 100 °C
Type de document :	texte imprimé
Auteurs :	Chengchong Shan, Auteur ; Zhenzi Jing, Auteur ; Li Pu, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9540-9545
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Low  temperature  Ash  Solidification
Résumé :	Municipal solid waste incineration (MSWI) bottom ash could be solidified with fly ash addition at 100 °C, and the flexural strength of solidified specimens reached almost 20 MPa. The strength development was found to be due mainly to C-S―H gel formation. Leaching tests were conducted to determine the amount of heavy metals dissolved from the solidified specimens, and the results showed that, under the hydrothermal conditions of this study, the leaching of heavy metals was very low. As such, it is possible to solidify MSWI ash by 100% (80% bottom ash + 20% fly ash) in a continuous production process with a low cost.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163290

[article] Solidification of MSWI ash at low temperature of 100 °C [texte imprimé] / Chengchong Shan, Auteur ; Zhenzi Jing, Auteur ; Li Pu, Auteur . - 2012 . - pp. 9540-9545.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9540-9545

Mots-clés :	Low  temperature  Ash  Solidification
Résumé :	Municipal solid waste incineration (MSWI) bottom ash could be solidified with fly ash addition at 100 °C, and the flexural strength of solidified specimens reached almost 20 MPa. The strength development was found to be due mainly to C-S―H gel formation. Leaching tests were conducted to determine the amount of heavy metals dissolved from the solidified specimens, and the results showed that, under the hydrothermal conditions of this study, the leaching of heavy metals was very low. As such, it is possible to solidify MSWI ash by 100% (80% bottom ash + 20% fly ash) in a continuous production process with a low cost.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163290

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9531-9539

Titre :	New chiral catalytic membranes created by coupling UV - photografting with covalent immobilization of salen – Co(III) for hydrolytic kinetic resolution of racemic epichlorohydrin
Type de document :	texte imprimé
Auteurs :	Zhi-Ping Zhao, Auteur ; Mei-Sheng Li, Auteur ; Jia-Yin Zhang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9531-9539
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Kinetics  Immobilization  Ultraviolet  radiation  Catalytic  reaction
Résumé :	New chiral catalytic functional membranes (HFM-salens) were obtained successfully by covalent immobilizing aminated mono-CH2Cl―salen―Co(III) catalysts onto polyethylene (PE) hollow fiber membranes (HFMs) that had been, in advance, modified by UV-induced graft polymerization of acrylic acid. The catalytic properties of HFM-salens were investigated by carrying out hydrolytic kinetic resolution experiments of racemic epichlorohydrin. For homogeneous mono-CH2Cl―salen― Co(III) catalyst, the enantioselectivity (ee) and yield (Y) of S-epichlorohydrin were 86.67% and 57.26%, respectively. For the HFM-salens in type of segments, on which only about 2% of mono-CH2Cl―salen―Co(III) used in homogeneous catalysis was immobilized, an ee of 5.45% and a Y of 8.23% were achieved. Moreover, the ee and Y values reached 44.78% and 47.01%, respectively, using only eight HFM-salens packed in a catalytic membrane reactor (CMR), and the ee and Y values can be further improved by increasing packing density of fibers in the CMR. As an environment-friendly technology, immobilization of catalysts on membranes makes it easy to reuse the catalysts and reduce the amount of catalysts significantly. The results offer great potential for these modified membranes in the CMR for further research.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163289

[article] New chiral catalytic membranes created by coupling UV - photografting with covalent immobilization of salen – Co(III) for hydrolytic kinetic resolution of racemic epichlorohydrin [texte imprimé] / Zhi-Ping Zhao, Auteur ; Mei-Sheng Li, Auteur ; Jia-Yin Zhang, Auteur . - 2012 . - pp. 9531-9539.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9531-9539

Mots-clés :	Kinetics  Immobilization  Ultraviolet  radiation  Catalytic  reaction
Résumé :	New chiral catalytic functional membranes (HFM-salens) were obtained successfully by covalent immobilizing aminated mono-CH2Cl―salen―Co(III) catalysts onto polyethylene (PE) hollow fiber membranes (HFMs) that had been, in advance, modified by UV-induced graft polymerization of acrylic acid. The catalytic properties of HFM-salens were investigated by carrying out hydrolytic kinetic resolution experiments of racemic epichlorohydrin. For homogeneous mono-CH2Cl―salen― Co(III) catalyst, the enantioselectivity (ee) and yield (Y) of S-epichlorohydrin were 86.67% and 57.26%, respectively. For the HFM-salens in type of segments, on which only about 2% of mono-CH2Cl―salen―Co(III) used in homogeneous catalysis was immobilized, an ee of 5.45% and a Y of 8.23% were achieved. Moreover, the ee and Y values reached 44.78% and 47.01%, respectively, using only eight HFM-salens packed in a catalytic membrane reactor (CMR), and the ee and Y values can be further improved by increasing packing density of fibers in the CMR. As an environment-friendly technology, immobilization of catalysts on membranes makes it easy to reuse the catalysts and reduce the amount of catalysts significantly. The results offer great potential for these modified membranes in the CMR for further research.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163289

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9515-9530

Titre :	Thermal treatment and degradation of cross - linked ethylene vinyl acetate – polyethylene – azodicarbonamide – ZnO foams. complete kinetic modeling and analysis
Type de document :	texte imprimé
Auteurs :	Juan A. Reyes-Labarta, Auteur ; A. Marcilla, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9515-9530
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Modeling  Kinetic  model  Foam  Heat  treatment
Résumé :	The cross-linking and foaming processes of ethylene vinyl acetate (EVA) copolymer with different concentrations of polyethylene (PE), cross-linking agent (α-α'-bis(tert-butylperoxy)-m/p-diisopropylbenzene), and azodicarbonamide (as foaming agent and using additionally ZnO as accelerating agent) have been studied. The extent of the reactions has been evaluated by gel fraction and density measurements. The different transitions involved in the thermal processing and decomposition have been studied by DSC and TGA and compared for all the mixtures prepared. Mechanistic pseudokinetic models have been suggested and applied involving all the fractions susceptible of undergoing transitions or reactions, including complex, overlapped peaks and apparent heat capacities. The models applied can be of great interest in understanding the phenomena involved, as well as in modeling the heat effects in the whole processing or pyrolysis of this type of multicomponent products.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163288

[article] Thermal treatment and degradation of cross - linked ethylene vinyl acetate – polyethylene – azodicarbonamide – ZnO foams. complete kinetic modeling and analysis [texte imprimé] / Juan A. Reyes-Labarta, Auteur ; A. Marcilla, Auteur . - 2012 . - pp. 9515-9530.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9515-9530

Mots-clés :	Modeling  Kinetic  model  Foam  Heat  treatment
Résumé :	The cross-linking and foaming processes of ethylene vinyl acetate (EVA) copolymer with different concentrations of polyethylene (PE), cross-linking agent (α-α'-bis(tert-butylperoxy)-m/p-diisopropylbenzene), and azodicarbonamide (as foaming agent and using additionally ZnO as accelerating agent) have been studied. The extent of the reactions has been evaluated by gel fraction and density measurements. The different transitions involved in the thermal processing and decomposition have been studied by DSC and TGA and compared for all the mixtures prepared. Mechanistic pseudokinetic models have been suggested and applied involving all the fractions susceptible of undergoing transitions or reactions, including complex, overlapped peaks and apparent heat capacities. The models applied can be of great interest in understanding the phenomena involved, as well as in modeling the heat effects in the whole processing or pyrolysis of this type of multicomponent products.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163288

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9510-9514

Titre :	Graphitic C3N4 photocatalyst for esterification of benzaldehyde and alcohol under visible light radiation
Type de document :	texte imprimé
Auteurs :	Limin Song, Auteur ; Shujuan Zhang, Auteur ; Xiaoqing Wu, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9510-9514
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Visible  radiation  Esterification  Photocatalysis  Catalyst
Résumé :	The reaction of alcohols and carboxylic acids catalyzed by acids is the traditional method used to prepare esters in the chemical industry. In this study, we report the synthesis of active graphitic carbon nitride (g-C3N4) that may be used in the one-step reaction between benzaldehyde and alcohol to promote the selective formation of esters under visible light irradiation. Compared with the reaction carried out without illumination, g-C3N4 showed obvious improvements in ester formation. The presence of tin dioxide can also contribute to the formation of esters under visible light irradiation. The use of g-C3N4 for the esterification of various alcohols was explored, and the catalyst showed promising results.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163287

[article] Graphitic C3N4 photocatalyst for esterification of benzaldehyde and alcohol under visible light radiation [texte imprimé] / Limin Song, Auteur ; Shujuan Zhang, Auteur ; Xiaoqing Wu, Auteur . - 2012 . - pp. 9510-9514.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9510-9514

Mots-clés :	Visible  radiation  Esterification  Photocatalysis  Catalyst
Résumé :	The reaction of alcohols and carboxylic acids catalyzed by acids is the traditional method used to prepare esters in the chemical industry. In this study, we report the synthesis of active graphitic carbon nitride (g-C3N4) that may be used in the one-step reaction between benzaldehyde and alcohol to promote the selective formation of esters under visible light irradiation. Compared with the reaction carried out without illumination, g-C3N4 showed obvious improvements in ester formation. The presence of tin dioxide can also contribute to the formation of esters under visible light irradiation. The use of g-C3N4 for the esterification of various alcohols was explored, and the catalyst showed promising results.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163287

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9500–9509

Titre :	Etherification of glycerol by tert - butyl alcohol : Kinetic model
Type de document :	texte imprimé
Auteurs :	M. Pilar Pico, Auteur ; Arturo Romero, Auteur ; Sergio Rodriguez, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9500–9509
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Kinetic
Résumé :	The catalytic etherification of glycerol with tert-butyl alcohol over a strong acid ion-exchange commercial resin (Amberlyst 15) has been studied. The etherification reactions were carried out in a glass laboratory autoclave reactor with magnetic stirring without solvent at autogenous pressure. Experimental results were obtained at different temperatures (50–80 °C) and using an 8.5 wt % catalyst loading referred to the starting amount of glycerol. Four ethers (two monoethers and two diethers) and isobutylene were identified as the main products of glycerol etherification and tert-butyl alcohol dehydration (secondary reaction), respectively. Two simplified heterogeneus kinetic models are proposed to describe the process performance. The first model lumps the monoethers and diethers into the species M and D, respectively, and includes three reactions and the corresponding kinetic equations. The second model includes all of the species detected and six stoichiometric equations. Kinetic parameters for each kinetic model were estimated by data fitting. Irreversible dehydration of tert-butyl alcohol can be assumed at the operating conditions employed in the present study. Both kinetic models proposed describe the evolution of the system properly, in terms of both the reactant and product distributions with reaction time in the temperature range studied.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie300481d

[article] Etherification of glycerol by tert - butyl alcohol : Kinetic model [texte imprimé] / M. Pilar Pico, Auteur ; Arturo Romero, Auteur ; Sergio Rodriguez, Auteur . - 2012 . - pp. 9500–9509.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9500–9509

Mots-clés :	Kinetic
Résumé :	The catalytic etherification of glycerol with tert-butyl alcohol over a strong acid ion-exchange commercial resin (Amberlyst 15) has been studied. The etherification reactions were carried out in a glass laboratory autoclave reactor with magnetic stirring without solvent at autogenous pressure. Experimental results were obtained at different temperatures (50–80 °C) and using an 8.5 wt % catalyst loading referred to the starting amount of glycerol. Four ethers (two monoethers and two diethers) and isobutylene were identified as the main products of glycerol etherification and tert-butyl alcohol dehydration (secondary reaction), respectively. Two simplified heterogeneus kinetic models are proposed to describe the process performance. The first model lumps the monoethers and diethers into the species M and D, respectively, and includes three reactions and the corresponding kinetic equations. The second model includes all of the species detected and six stoichiometric equations. Kinetic parameters for each kinetic model were estimated by data fitting. Irreversible dehydration of tert-butyl alcohol can be assumed at the operating conditions employed in the present study. Both kinetic models proposed describe the evolution of the system properly, in terms of both the reactant and product distributions with reaction time in the temperature range studied.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie300481d

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9492-9499

Titre :	Preparation of nanosized silicalite - 1 and its application in vapor - phase beckmann rearrangement of cyclohexanone oxime
Type de document :	texte imprimé
Auteurs :	Yi-Qiang Deng, Auteur ; Shuang-Feng Yin, Auteur ; Chak-Tong Au, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9492-9499
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Preparation  Nanosized
Résumé :	Series of silicalite-1 catalysts with particle size varying from 50 to 450 nm were synthesized by hydrothermal method using tetrapropylammonium hydroxide as a template and L-lysine as an additive. The crystal size of silicalite-1 could be easily controlled by regulating the amount of L-lysine. The series of silicalite-1 and their NaOH-modified derivatives were examined as catalysts for vapor-phase Beckmann rearrangement of cyclohexanone oxime to caprolactam in the 330-390 °C range. It was found that the crystal size of silicalite-1 has an effect on catalytic activity, ε-caprolactam selectivity, and catalyst stability. With a decline in crystal size, there was improvement of catalytic activity and catalyst stability. It is deduced that silicalite-1, of a smaller crystal size, is less inclined to pore blocking by coke and hence has better resistance to deactivation.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie3001277

[article] Preparation of nanosized silicalite - 1 and its application in vapor - phase beckmann rearrangement of cyclohexanone oxime [texte imprimé] / Yi-Qiang Deng, Auteur ; Shuang-Feng Yin, Auteur ; Chak-Tong Au, Auteur . - 2012 . - pp. 9492-9499.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9492-9499

Mots-clés :	Preparation  Nanosized
Résumé :	Series of silicalite-1 catalysts with particle size varying from 50 to 450 nm were synthesized by hydrothermal method using tetrapropylammonium hydroxide as a template and L-lysine as an additive. The crystal size of silicalite-1 could be easily controlled by regulating the amount of L-lysine. The series of silicalite-1 and their NaOH-modified derivatives were examined as catalysts for vapor-phase Beckmann rearrangement of cyclohexanone oxime to caprolactam in the 330-390 °C range. It was found that the crystal size of silicalite-1 has an effect on catalytic activity, ε-caprolactam selectivity, and catalyst stability. With a decline in crystal size, there was improvement of catalytic activity and catalyst stability. It is deduced that silicalite-1, of a smaller crystal size, is less inclined to pore blocking by coke and hence has better resistance to deactivation.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie3001277

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9475-9482

Titre :	Influence of operating conditions on SO3 formation during air and oxy - fuel combustion
Type de document :	texte imprimé
Auteurs :	Daniel Fleig, Auteur ; Klas Andersson, Auteur ; Filip Johnsson, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9475-9482
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Oxidant  Supercritical  state  Pollution  abatement
Résumé :	Abatement of aniline in supercritical water was explored in a tubular-flow reactor using oxygen as the oxidant. The effects of the reaction temperature, oxidant stoichiometric ratio, residence time, and initial aniline concentration on the product distribution were investigated. Aniline was primarily hydrolyzed to phenol and ammonia, and thereby, abatement of aniline was converted into the co-oxidation of phenol and ammonia in supercritical water. Phenol was the main carbon-containing intermediate, and ammonia was the exclusive nitrogen-containing intermediate on the pathway to the end products N2, N2O, and NO3-. Owing to the adsorption of aniline and catalysis on the reactor wall (made of Hastelloy C-276), the disappearance of ammonia during aniline supercritical water oxidation (SCWO) was markedly faster than that during SCWO of ammonia alone. Ammonia was mainly converted to N2 (heterogeneous mechanism), and low levels of N2O and NO3― were also produced (homogeneous mechanism).
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163283

[article] Influence of operating conditions on SO3 formation during air and oxy - fuel combustion [texte imprimé] / Daniel Fleig, Auteur ; Klas Andersson, Auteur ; Filip Johnsson, Auteur . - 2012 . - pp. 9475-9482.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9475-9482

Mots-clés :	Oxidant  Supercritical  state  Pollution  abatement
Résumé :	Abatement of aniline in supercritical water was explored in a tubular-flow reactor using oxygen as the oxidant. The effects of the reaction temperature, oxidant stoichiometric ratio, residence time, and initial aniline concentration on the product distribution were investigated. Aniline was primarily hydrolyzed to phenol and ammonia, and thereby, abatement of aniline was converted into the co-oxidation of phenol and ammonia in supercritical water. Phenol was the main carbon-containing intermediate, and ammonia was the exclusive nitrogen-containing intermediate on the pathway to the end products N2, N2O, and NO3-. Owing to the adsorption of aniline and catalysis on the reactor wall (made of Hastelloy C-276), the disappearance of ammonia during aniline supercritical water oxidation (SCWO) was markedly faster than that during SCWO of ammonia alone. Ammonia was mainly converted to N2 (heterogeneous mechanism), and low levels of N2O and NO3― were also produced (homogeneous mechanism).
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163283

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9475-9482

Titre :	Abatement of Aniline in Supercritical Water Using Oxygen as the Oxidant
Type de document :	texte imprimé
Auteurs :	Honghe Ma, Auteur ; ShuZhong Wang, Auteur ; Lu Zhou, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9475-9482
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Oxidant  Supercritical  state  Pollution  abatement
Résumé :	Abatement of aniline in supercritical water was explored in a tubular-flow reactor using oxygen as the oxidant. The effects of the reaction temperature, oxidant stoichiometric ratio, residence time, and initial aniline concentration on the product distribution were investigated. Aniline was primarily hydrolyzed to phenol and ammonia, and thereby, abatement of aniline was converted into the co-oxidation of phenol and ammonia in supercritical water. Phenol was the main carbon-containing intermediate, and ammonia was the exclusive nitrogen-containing intermediate on the pathway to the end products N2, N2O, and NO3-. Owing to the adsorption of aniline and catalysis on the reactor wall (made of Hastelloy C-276), the disappearance of ammonia during aniline supercritical water oxidation (SCWO) was markedly faster than that during SCWO of ammonia alone. Ammonia was mainly converted to N2 (heterogeneous mechanism), and low levels of N2O and NO3― were also produced (homogeneous mechanism).
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163283

[article] Abatement of Aniline in Supercritical Water Using Oxygen as the Oxidant [texte imprimé] / Honghe Ma, Auteur ; ShuZhong Wang, Auteur ; Lu Zhou, Auteur . - 2012 . - pp. 9475-9482.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9475-9482

Mots-clés :	Oxidant  Supercritical  state  Pollution  abatement
Résumé :	Abatement of aniline in supercritical water was explored in a tubular-flow reactor using oxygen as the oxidant. The effects of the reaction temperature, oxidant stoichiometric ratio, residence time, and initial aniline concentration on the product distribution were investigated. Aniline was primarily hydrolyzed to phenol and ammonia, and thereby, abatement of aniline was converted into the co-oxidation of phenol and ammonia in supercritical water. Phenol was the main carbon-containing intermediate, and ammonia was the exclusive nitrogen-containing intermediate on the pathway to the end products N2, N2O, and NO3-. Owing to the adsorption of aniline and catalysis on the reactor wall (made of Hastelloy C-276), the disappearance of ammonia during aniline supercritical water oxidation (SCWO) was markedly faster than that during SCWO of ammonia alone. Ammonia was mainly converted to N2 (heterogeneous mechanism), and low levels of N2O and NO3― were also produced (homogeneous mechanism).
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163283

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9468-9474

Titre :	Removal of Cr (VI) and humic acid by heterogeneous photocatalysis in a laboratory reactor and a pilot reactor
Type de document :	texte imprimé
Auteurs :	Lucia D. C. Cid, Auteur ; Maria D. C. Grande, Auteur ; Eduardo O. Acosta, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9468-9474
Note générale :	Chimie industrial
Langues :	Anglais (eng)
Mots-clés :	Reactor  Photocatalysis  Organic  matter
Résumé :	In this work heterogeneous photocatalysis has been used in order to eliminate Cr(VI) as well as humic acid in a laboratory reactor and in a pilot reactor. The reactors have been constructed with proportional geometric properties and similar nominal powers. In the laboratory reactor a kinetic study of the reduction of Cr(VI) to Cr(III) has been done for different concentrations of the catalyst at pH 4 and 7. The influence in the increase of the reduction of chromium(VI) that is obtained by the presence of humic acid has been determined. It has been verified that all the reactions possess pseudo-first-order kinetics, and the values of the apparent kinetic constants obtained for all systems studied have been compared. These values have allowed selection of the values of the variables to be used in the pilot reactor as it is desired to eliminate Cr(VI) by reduction and precipitation and humic acid by oxidation. A comparative evaluation of the efficiencies of the reactors was based on kinetic determinations.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163282

[article] Removal of Cr (VI) and humic acid by heterogeneous photocatalysis in a laboratory reactor and a pilot reactor [texte imprimé] / Lucia D. C. Cid, Auteur ; Maria D. C. Grande, Auteur ; Eduardo O. Acosta, Auteur . - 2012 . - pp. 9468-9474.
Chimie industrial
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9468-9474

Mots-clés :	Reactor  Photocatalysis  Organic  matter
Résumé :	In this work heterogeneous photocatalysis has been used in order to eliminate Cr(VI) as well as humic acid in a laboratory reactor and in a pilot reactor. The reactors have been constructed with proportional geometric properties and similar nominal powers. In the laboratory reactor a kinetic study of the reduction of Cr(VI) to Cr(III) has been done for different concentrations of the catalyst at pH 4 and 7. The influence in the increase of the reduction of chromium(VI) that is obtained by the presence of humic acid has been determined. It has been verified that all the reactions possess pseudo-first-order kinetics, and the values of the apparent kinetic constants obtained for all systems studied have been compared. These values have allowed selection of the values of the variables to be used in the pilot reactor as it is desired to eliminate Cr(VI) by reduction and precipitation and humic acid by oxidation. A comparative evaluation of the efficiencies of the reactors was based on kinetic determinations.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163282

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9456-9467

Titre :	Thermodynamics studies on the solubility of inorganic salt in organic solvents : Application to KI in organic solvents and water – ethanol mixtures
Type de document :	texte imprimé
Auteurs :	Bingwen Long, Auteur ; Dong Zhao, Auteur ; Wei Liu, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9456-9467
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Organic  solvent  Solubility
Résumé :	A thermodynamic framework is established to calculate the solubility of inorganic salts in nonaqueous solvents. New solubility data of potassium iodide in selected organic solvents of acetone, ethanol, and 1-propanol are determined in the temperature range of 278-343 K. The experimental solubility is modeled by the methodology proposed in this work, and the solubility products of potassium iodide in organic solvents are estimated. Following this, the experimental mean activity coefficients are modeled with the electrolyte activity coefficient models of Pitzer, e-NRTL, e-Wilson equations, and their modified forms. Model parameters are optimized by fitting the experiment data. It turns out that the three-parameter e-Wilson equation presents the best correlation results with an overall average percentage relative deviation ARD of 1.36%. When the models are extrapolated to predict the low temperature solubility of potassium iodide in acetone down to 215 K, the three-parameter e-NRTL gives the most reliable predictions. A novel simple predictive mixing rule for the e-Wilson equation is proposed to estimate the solubility of potassium iodide in binary mixed solvents. The predictions are in good agreement with the experimental data of potassium iodide in water and ethanol over wide ranges of concentration and temperature.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163281

[article] Thermodynamics studies on the solubility of inorganic salt in organic solvents : Application to KI in organic solvents and water – ethanol mixtures [texte imprimé] / Bingwen Long, Auteur ; Dong Zhao, Auteur ; Wei Liu, Auteur . - 2012 . - pp. 9456-9467.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9456-9467

Mots-clés :	Organic  solvent  Solubility
Résumé :	A thermodynamic framework is established to calculate the solubility of inorganic salts in nonaqueous solvents. New solubility data of potassium iodide in selected organic solvents of acetone, ethanol, and 1-propanol are determined in the temperature range of 278-343 K. The experimental solubility is modeled by the methodology proposed in this work, and the solubility products of potassium iodide in organic solvents are estimated. Following this, the experimental mean activity coefficients are modeled with the electrolyte activity coefficient models of Pitzer, e-NRTL, e-Wilson equations, and their modified forms. Model parameters are optimized by fitting the experiment data. It turns out that the three-parameter e-Wilson equation presents the best correlation results with an overall average percentage relative deviation ARD of 1.36%. When the models are extrapolated to predict the low temperature solubility of potassium iodide in acetone down to 215 K, the three-parameter e-NRTL gives the most reliable predictions. A novel simple predictive mixing rule for the e-Wilson equation is proposed to estimate the solubility of potassium iodide in binary mixed solvents. The predictions are in good agreement with the experimental data of potassium iodide in water and ethanol over wide ranges of concentration and temperature.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163281

[article] 
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9447-9455

Titre :	Enhanced thermal properties and flame retardancy of a novel transparent poly (methyl methacrylate) - based hybrid prepared by the sol – gel method
Type de document :	texte imprimé
Auteurs :	Saihua Jiang, Auteur ; Yuan Hu, Auteur ; Zhou Gui, Auteur
Année de publication :	2012
Article en page(s) :	pp. 9447-9455
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Flame  Thermal  properties
Résumé :	A novel monomer, poly(ethylene glycol) monoacrylate aminopropyltriethoxysilane phenyl phosphate (SNP), containing phosphorus, nitrogen, and silicon was synthesized and then incorporated into a poly(methyl methacrylate) (PMMA) matrix through copolymerization and the sol-gel method to produce organic―inorganic hybrids. The chemical structure of SNP was characterized by FTIR, 1H NMR, 29Si NMR, and 31P NMR spectroscopies. The 29Si MAS NMR results for the hybrid materials suggested the formation of cross-linked networks in the hybrids. A morphological study showed that the inorganic particles were well distributed in the PMMA matrix. The hybrids retained a high transparency and exhibited a significant improvement in glass transition temperature, thermal stability, hardness, and flame retardancy upon the incorporation of SNP into the PMMA matrix. The network structure, homogeneous distribution, and char formation during degradation were proposed as three key reasons for the improved properties.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163280

[article] Enhanced thermal properties and flame retardancy of a novel transparent poly (methyl methacrylate) - based hybrid prepared by the sol – gel method [texte imprimé] / Saihua Jiang, Auteur ; Yuan Hu, Auteur ; Zhou Gui, Auteur . - 2012 . - pp. 9447-9455.
Industrial chemistry
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 51 N° 28 (Juillet 2012) . - pp. 9447-9455

Mots-clés :	Flame  Thermal  properties
Résumé :	A novel monomer, poly(ethylene glycol) monoacrylate aminopropyltriethoxysilane phenyl phosphate (SNP), containing phosphorus, nitrogen, and silicon was synthesized and then incorporated into a poly(methyl methacrylate) (PMMA) matrix through copolymerization and the sol-gel method to produce organic―inorganic hybrids. The chemical structure of SNP was characterized by FTIR, 1H NMR, 29Si NMR, and 31P NMR spectroscopies. The 29Si MAS NMR results for the hybrid materials suggested the formation of cross-linked networks in the hybrids. A morphological study showed that the inorganic particles were well distributed in the PMMA matrix. The hybrids retained a high transparency and exhibited a significant improvement in glass transition temperature, thermal stability, hardness, and flame retardancy upon the incorporation of SNP into the PMMA matrix. The network structure, homogeneous distribution, and char formation during degradation were proposed as three key reasons for the improved properties.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=26163280