Catalogue en ligne Bibliothèque Ecole Nationale Polytechnique d'Alger

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5873-5876

Titre :	Controlled release of bis(phosphonate) pharmaceuticals from cationic biodegradable polymeric matrices
Type de document :	texte imprimé
Auteurs :	Konstantinos D. Demadis, Auteur ; Maria Paspalaki, Auteur ; Joanna Theodorou, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5873-5876
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Bis(phosphonate) Biodegradable Polymeric
Résumé :	Herein, the controlled release of etidronic acid (hydroxyethylidene-bis(phosphonic) acid), an important drug for osteoporotic conditions, immobilized onto cationic polymeric matrices, such as polyethyleneimine (PEI) or cationic inulin (CATIN) is reported. Several CATIN- and PEI-etidronate composites have been synthesized at various pH regions and characterized. Tablets with starch as the excipient containing the active ingredient (polymer-etidronate composite) were prepared, and the controlled release of etidronate was studied at aqueous solutions of pH 3 (to mimick the pH of the stomach) for 8 h. All studied composites showed a delayed etidronate release in the first 4 h, compared to the “control” (a tablet containing only starch and etidronic acid, without the polymer).
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102546g

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5866-5872

Titre :	Modeling of drug (Albumin) release from thermosensitive chitosan hydrogels
Type de document :	texte imprimé
Auteurs :	Roman Zarzycki, Auteur ; Grzegorz Rogacki, Auteur ; Zofia Modrzejewska, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5866-5872
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Modeling
Résumé :	A theoretical model of drug release in hydrogels was designed taking into account desorption processes on the solid phase surface and diffusion in pores. The model describes kinetics with two constant parameters independent of concentration and time: DAB, the diffusion coefficient of component A in the liquid, and k, the transfer coefficient describing the rate of desorption of component A. The model was verified using experimental data concerning the release of bovine albumin from thermosensitive chitosan gels. The process of albumin release from hydrogels produced from chitosan glutamate can be described by parameters DAB = 2.0 × 10―9 m2/s and k= 1.02 x 10―6 m/s. Calculations based on the model prove that it properly correlates experimental data.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128713

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5862-5865

Titre :	Poly(ethylene glycol) embedded potassium tribromide (PEG.KBr3) as a recyclable catalyst for oxidation of alcohols
Type de document :	texte imprimé
Auteurs :	Sanny Verma, Auteur ; Suman L. Jain, Auteur ; Bir Sain, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5862-5865
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Oxidation Catalyst
Résumé :	An efficient metal free polyethylene glycol wrapped potassium tribromide [PEG.KBr3] has been developed for the first time by using host―guest chemistry. The prepared reagent is found to be an Efficient, stable, cost-effective, and recyclable catalyst for the oxidation of a variety of primary, secondary, 1,2 diols, and α-hydroxy to the corresponding aldehydes, ketones, and 1,2-diketones respectively, in high to excellent yields by using hydrogen peroxide as oxidant.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128712

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5852-5861

Titre :	Effect of various cations on the formation of calcium carbonate and barium sulfate scale with and without scale inhibitors
Type de document :	texte imprimé
Auteurs :	Malcolm A. Kelland, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5852-5861
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Dynamic tube Calcium carbonate
Résumé :	High pressure dynamic tube blocking tests have been conducted to determine the effect of iron (divalent and trivalent), calcium, magnesium, and sodium ions on the formation of calcium carbonate and barium sulfate scale with and without added scale inhibitors. Scale inhibitors were chosen to represent the three main functional groups used in commercial oilfield scale inhibitors: the phosphonate group (found in sodium diethylenetriaminepentaphosphonate), the carboxylate group (in sodium polyaspartate), and the sulfonate group (in sodium polyvinysulfonate). A fourth proprietary inhibitor with phosphonate and carboxylate groups was also used in some studies.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2003494

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5838-5851

Titre :	Prediction of tracer concentration and mixing in CFSTRs with mean age distribution
Type de document :	texte imprimé
Auteurs :	Minye Liu, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5838-5851
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Mixing Tracers Prediction
Résumé :	Three-dimensional time-dependent tracer concentration distributions in nonideal continuous flow stirred tank reactors with pulse input are studied computationally. Both the steady transport equation for mean age and the time-dependent transport equation for tracer concentration are solved. It is found that the time-dependent tracer concentration history can be divided into two stages: an initial stage, in which the concentration is highly location-dependent, and a stationary stage, in which the concentration decays with a location-independent, constant exponential rate. This rate is found to be the inverse of the volume-averaged mean age. The length of the initial stage is found to be very short, on the same order of magnitude as the batch blend time. It is also found that the scaled concentration distribution in the stationary stage is almost identical to the scaled mean age distribution. The spatial and temporal concentration distribution in the stationary stage can be determined once the initial stage and the mean age solution are obtained. Thus, the CPU time required is orders of magnitude smaller than that for the full time integration of the unsteady concentration equation. With the solution of tracer concentration distribution known, mixing time and other quantitative measures for the tracer mixing can be easily calculated.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128710

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5831-5837

Titre :	Effects of surfactants on solubilization of perchloroethylene (PCE) and trichloroethylene (TCE)
Type de document :	texte imprimé
Auteurs :	Sivaram Harendra, Auteur ; Cumaraswamy Vipulanandan, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5831-5837
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Solubilization Surfactant
Résumé :	Enhanced solubilization of dense nonaqueous phase liquids (DNAPLs) especially chlorinated hydrocarbons using four types of surfactants was investigated. The solubilization kinetics of perchloroethylene PCE ( 100 mg/L solubility in water) and trichloroethylene TCE (1000 mg/L) in anionic (sodium dodecyl sulfate (SDS)), nonionic (Triton X-100), cationic (cetyltrimethylammoniun bromide (CTAB)), and a biosurfactant (UH biosurfactant) were investigated at room temperature in continuously stirred batch reactors. The size distribution of surfactant micelles were measured using the dynamic light scattering device (DLS). The mean size of SDS, CTAB, Triton X-100, and UH biosurfactant micelles were 4.2 nm, 3.8 nm, 4.5 nm, and 59.1 nm, respectively. Micelle partition coefficients (Km) and molar solubility ratio (MSR) for PCE and TCE in 10 g/L of surfactant solutions have been quantified, and the solubility of PCE and TCE in the surfactant solutions increased by about 10-fold. Solubilization kinetics for PCE and TCE in various surfactant solutions was represented using a hyperbolic relationship. Also the relationship between solubility and interfacial surface tension reduction was investigated. Of the surfactants studied, Triton X-100 had the highest PCE solubilized per gram of surfactant, whereas for TCE, biosurfactant had the highest TCE solubility per gram of surfactant.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128709

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5824–5830

Titre :	Depth-of-field model for size measurement using a borescope imaging technique under high object concentrations
Type de document :	texte imprimé
Auteurs :	Md. Iqbal Hossain, Auteur ; Yanhui Yang, Auteur ; Armando Borgna, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5824–5830
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Borescope imaging
Résumé :	The direct imaging technique has been a common technique for size distribution measurement in multiphase systems. A statistical reconstruction method was developed in a previous study to determine the actual size distribution from image size measurements. The method accounts for the change in magnification scale within the depth-of-field (DOF) of the imaging device. It is anticipated that the DOF will reduce at high object concentrations. Since accurate DOF information is necessary for the application of the reconstruction method, the effect of object concentration on the DOF is examined in this study. A DOF model is developed to predict the DOF under various object concentrations. The applicability of the DOF model in the statistical reconstruction method is verified experimentally. A theoretical analysis is also performed to discuss the effect of having objects whose image sizes are larger than the maximum viewable limit of the imaging device.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102478q

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5815-5823

Titre :	Determination of parachor of various compounds using an artificial neural network-group contribution method
Type de document :	texte imprimé
Auteurs :	Gharagheizi, Farhad, Auteur ; Ali Eslamimanesh, Auteur ; Amir H. Mohammadi, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5815-5823
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Group contribution method Neural network
Résumé :	In this communication, an Artificial Neural Network―Group Contribution algorithm is applied to represent/predict the parachor of pure chemical compounds. To propose a reliable and predictive tool, 227 pure chemical compounds are investigated. Using the developed method, we obtain satisfactory results that are quantified by the following statistical parameters: absolute average deviations of the represented/predicted parachor values from existing experimental ones, %AAD = 1.2%; and squared correlation coefficient, R2 = 0.997.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128707

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5806–5814

Titre :	Incorporation of waelz slag into commercial ceramic bricks : a practical example of industrial ecology
Type de document :	texte imprimé
Auteurs :	N. Quijorna, Auteur ; G. San Miguel, Auteur ; A. Andres, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5806–5814
Note générale :	Chimie induistrielle
Langues :	Anglais (eng)
Mots-clés :	Ceramic bricks Industrial ecology
Résumé :	The recovery of electric arc furnace (EAF) dust generates large amounts of an industrial byproduct called Waelz slag. This residue, consisting primarily of iron oxide contaminated with other metal oxides (including zinc and lead), is usually disposed of in landfill sites at a high economic and environmental cost. This paper investigates an alternative based on industrial ecology principles, which involves the incorporation of Waelz slag into clay ceramic construction bricks. For the purpose of this work, Waelz slag and raw materials employed in the manufacture of ceramic bricks (natural clays, wood pulp) were characterized. Subsequently, a series of brick specimens were manufactured according to commercial mixes and using industrial equipment and procedures. Similar specimens were also produced replacing 20−30 wt % of the clay with Waelz slag. The resulting products were analyzed for their physical (bulk density, water absorption, open porosity), mechanical (modulus of rupture), and chemical properties (soluble salts content) in order to evaluate compliance with quality standards for construction materials. The environmental consequences of incorporating slag into ceramic products were also investigated at three stages of their life cycle: release of potentially toxic species during their use (NEN 7345), leaching of heavy metals after disposal in landfill sites (EN 12457 1 and 2), and emission of atmospheric pollutants during the firing process. The experimental results demonstrate that incorporation of Waelz slag does not deteriorate the physical, mechanical, and chemical properties of the resulting products. The leaching of species during its useful lives show compliance with threshold values established according to the Dutch Building Materials Decree (DBMD), and Waelz slag containing bricks fall into the category of nonhazardous waste landfill, just like conventional bricks used at this work. Emissions of CO2 and NOx were reduced versus the emissions of halogenated gases and SO2, which were favored due to the thermal decomposition of S, Cl, and F contained in the waste material.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102145h

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5795–5805

Titre :	Modeling of the thermodynamics of the acetic acid−water mixture using the cubic-plus-association equation of state
Type de document :	texte imprimé
Auteurs :	Martin P. Breil, Auteur ; Georgios M. Kontogeorgis, Auteur ; Paul K. Behrens, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5795–5805
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Thermodynamics Acetic acid
Résumé :	The cubic-plus-association (CPA) equation of state is applied in this work to mixtures containing acetic acid and water. A previously developed modification of the model, the so-called CPA-Huron−Vidal (CPA-HV), is used. New CPA parameters have been estimated based on the vapor pressure, liquid density, enthalpy of vaporization, and vapor-phase compressibility factor data. The CPA-HV parameters have been fitted to, among others, experimental vapor compressibility factor data and experimental relative volatility data at different temperature ranges. The purpose of the work was to investigate whether the CPA-HV model can describe the vapor−liquid equilibrium for acetic acid−water over a temperature range of 200 K and at the same time represent the behavior of pure acetic acid and acetic acid−water mixtures with respect to enthalpies of vaporization and compressibility factors. It is shown that satisfactory results are overall obtained, but if an excellent match is needed over the whole temperature range, then different interaction parameters need to be used at the various temperature ranges.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102105r

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5783–5794

Titre :	Compositional analysis and hydrate dissociation conditions measurements for carbon dioxide + methane + water system
Type de document :	texte imprimé
Auteurs :	Veronica Belandria, Auteur ; Ali Eslamimanesh, Auteur ; Amir H. Mohammadi, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5783–5794
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Carbon dioxide Methane
Résumé :	A detailed description of an experimental setup based on the “static-analytic” technique with gas phase capillary sampling designed, built, and improved “in-house” to measure phase equilibria (pressure, temperature, and compositions) under gas hydrate formation conditions is presented in this work. The apparatus is suitable for measurements at temperatures ranging from 233 to 373 K and pressures up to 60 MPa. It was used to study phase equilibria in the carbon dioxide + methane + water system under hydrate formation conditions. An isochoric pressure-search method was used to measure hydrate dissociation conditions. The experimental data have been compared successfully with the literature data. The compositions of the gas phase in equilibrium with the hydrate and aqueous phases were measured using a gas chromatography technique and compared successfully with the literature data. The compositions of the hydrate and aqueous phases were determined by applying material balance equations. The experimental data on the compositions of the hydrate have been compared successfully with the literature data. To solve the latter equations, the Newton’s numerical method coupled with the differential evolution optimization strategy was employed. All the aforementioned experimental data (hydrate dissociation conditions + composition analyses) have been compared with the predictions of two thermodynamic models, namely CSMGem and HWHYD. A discussion is made on the reliability of the predictions of the latter models.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101959t

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5774–5782

Titre :	Modeling of placement of immiscible fluids of different rheology into a hydraulic fracture
Type de document :	texte imprimé
Auteurs :	Alexander Lakhtychkin, Auteur ; Oleg Vinogradov, Auteur ; Dmitry Eskin, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5774–5782
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Immiscible fluids
Résumé :	A model of consecutive placements of two different immiscible fluids, possessing different densities and rheological properties, into an expanding fracture is presented. Hydraulic fracturing technology, based on such a fluid placement, is expected to allow better fracture shape control. Mathematically, the problem is reduced to solving a two-dimensional second-order nonlinear partial differential equation describing pressure distribution in a semiellipsoid domain with moving boundaries. The level set method is used to track the interface between the fluids in time. Numerical examples of the placement of power-law fluids are presented, and the accuracy of the computations is investigated.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101914d

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5766–5773

Titre :	New tool to monitor biofilm growth in industrial process waters
Type de document :	texte imprimé
Auteurs :	Angeles Blanco, Auteur ; Esperanza Torres, Auteur ; Elena Fuente, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5766–5773
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Biofilm Industrial process waters
Résumé :	A new online methodology based on a continuous process video microscopy and image analysis has been developed to study the effects of enzymes on the formation of biofilm. This research consists of two parts: (1) the monitoring of the growth of a biofilm formed with the axenic culture isolated from the process waters of a recycling paper mill, aiming at determining the most appropriate way to quantify the biofilm growth from the obtained images; and (2) the study of the effects of three new enzymatic products on biofilm formation involving the natural flora of microorganisms present in the process water of the paper mill. The results demonstrate that the new methodology based on image analysis allows monitoring of the formation of biofilm and selecting the most efficient biofilm control product. The study also shows that enzymatic products could be an alternative for biocides on biofilm prevention and control.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101422m

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5749-5765

Titre :	Dispersed water and particulates in jet fuel : size analysis under operational conditions and application to coalescer disarming
Type de document :	texte imprimé
Auteurs :	Alisdair Q. Clark, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5749-5765
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Coalescer Fuel
Résumé :	Jet fuel cleanliness, in terms of dispersed water and dirt, is of paramount importance to ensure aviation safety. In this study, a process image analyzer has been used to determine size distributions of dispersed water droplets and real and standard test dust particulates in jet fuel, both in the laboratory and under representative ftill-scale operational conditions. The technique is also applied to monitoring water droplet coalescence in a filter-water separator in the presence of a surfactant known to cause coalescer disarming, again under simulated operational conditions. The measured water and dirt count (number) distributions are exclusively log-normal, whereas corresponding volume size distributions show deviations from log-normal behavior as a result of contributions from the relatively small number of larger particles or aggregated droplet clusters, highlighting the importance of volume-based size analyses. Distinguishing between dispersed water droplets and solid particles has been demonstrated quantitatively, using a cosolvent to solubilize the contribution from free water droplets.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128701

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5739–5748

Titre :	CO2/N2 selectivity prediction in supported ionic liquid membranes (SILMs) by COSMO-RS
Type de document :	texte imprimé
Auteurs :	Maria Gonzalez - Miquel, Auteur ; José Palomar, Auteur ; Salama Omar, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5739–5748
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Liquid membranes Ionic
Résumé :	The quantum chemical COSMO-RS method was applied to describe supported ionic liquid membranes (SILMs) with an enhanced capacity of selective separation of CO2 from N2, in order to contribute to the design of CO2 postcombustion capture technologies based on ionic liquid (IL) solvents. First, the predictive capability of the COSMO-RS method was evaluated through a comparison with a wide range of selectivity experimental data, and a further optimization based on the Henry’s Law constant of each solute in ILs was developed to improve the prediction of CO2/N2 selectivity in SILMs. Afterward, the optimized COSMO-RS approach was applied to design suitable SILM systems for CO2/N2 separation by driving a computational screening of 224 ILs, with results illustrating the capability of [SCN−]-based ILs to enhance the selective separation of CO2 from N2. Finally, to better understand SILM behavior in CO2 separation, the CO2/N2 selectivity differences among ILs were successfully related to the excess enthalpy of CO2−IL and N2−IL mixtures in solution predicted by COSMO-RS. In addition, the intermolecular interactions (electrostatic, hydrogen bonding, and van der Waals) between CO2−IL and N2−IL systems in the liquid phase, quantified by COSMO-RS, were analyzed in order to contribute to the rational selection of SILMs with positive characteristics for CO2/N2 selective separation.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102450x

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5733–5738

Titre :	Internally and partially heat-integrated distillation system for ternary separation
Type de document :	texte imprimé
Auteurs :	Young-Han Kim, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5733–5738
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Heat integrated distillation system
Résumé :	A partially heat-integrated distillation system is introduced for ternary separation. The lower section of the first column and the upper section of the second column in a conventional two column system for a ternary separation are thermally integrated using an internally heat-integrated column. The proposed system has been applied to two example processes, hexane and BTX processes, for performance evaluation, and heat duty savings of 17.1% and 16.7%, respectively, are yielded from the proposed system. However, the comparison of entropy production rate between the proposed and conventional systems is split in the two processes. Though the heat integration is partial in the proposed system, no compressor is required, making the column operation easier than the fully heat-integrated system of binary separation.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1021199

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5727-5732

Titre :	Removal of boron using nylon-based chelating fibers
Type de document :	texte imprimé
Auteurs :	Kohsuke Ikeda, Auteur ; Daisuke Umeno, Auteur ; Kyoichi Saito, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5727-5732
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Nylon Fibers
Résumé :	By using electron-beam-induced graft polymerization, an epoxy-group-containing monomer, glycidyl methacrylate (GMA), was appended onto a 6-nylon fiber; subsequently, N-methylglucamine as a chelate-forming moiety was added to the epoxy group. The chelating group density of the resultant chelating fiber was 2.0 mmol/g, which was 74% of that of a commercially available chelating bead containing the same functionality. A 150 mg-B/L boron solution was forced to flow through the chelating-fiber-packed bed at the space velocity range from 10 to 100 h−1, defined by dividing flow rate by bed volume (0.3 mL). At a space velocity of 20 h−1, the dynamic binding capacity of the chelating-fiber-packed bed was 2.5-fold higher than that of the chelating-bead-packed bed.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101968h

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5723-5726

Titre :	Extraction of dill seed oil (Anethum sowa) using supercritical carbon dioxide and comparison with hydrodistillation
Type de document :	texte imprimé
Auteurs :	O. P. Nautiyal, Auteur ; K. K. Tiwari, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5723-5726
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Supercritical state Carbon dioxide
Résumé :	Dill seed oil contains constituents that work as carminative and find extensive use in the pharmaceuticals, food, flavors, cosmetics, and medical industries. The present study was thus carried out to investigate supercritical carbon dioxide (SC-CO2) process technology for the extraction of dill seed oil (Anethum sowa). The effects of pressure, temperature, flow rate, and batch time of SC-CO2 were optimized. The best results for dill oil extraction were obtained at of 35 °C, 25 MPa, and a density of 0.88 g/cm3. The dill oil obtained by SC-CO2 was obtained in good yield and a short batch process time. The major constituents extracted by SC-CO2 were limonene, 27.93%; carvone, 9.76%; dihydrocarvone, 26.74%; and dillapiole, 34.05%. The yield of oil was 5 wt %.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128697

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5714-5722

Titre :	Low temperature H2S removal with metal-doped nanostructure ZnO sorbents : study of the origin of enhanced reactivity in cu-containing materials
Type de document :	texte imprimé
Auteurs :	Jonathan Skrzypski, Auteur ; Igor Bezverkhyy, Auteur ; Olivier Heintz, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5714-5722
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Chemical reactivity Nanostructure Hydrogen sulfides Low temperature
Résumé :	Sulfidation of pure and metal-doped ZnO nanostructure sorbents (M0.03Zn0.97O, M = Fe, Co, Ni, Cu) was studied in order to clarify the effect of metal on the transformation kinetics at 200―350 °C. The solids were prepared by coprecipitation from metal nitrate solution followed by calcination at 400 °C. Reaction with H2S was studied by thermal gravimetric analysis (TGA) using a gas mixture containing 0.2 vol % H2S in equimolar H2―N2. It was found that at 350 °C the TGA sulfidation profiles of all studied samples are similar, with the interface reaction being the main rate-determining step. After lowering the temperature to 250 °C the transformation of Cu0.03Zn0.97O continues to be controlled by the interface reaction with only a slightly decreased rate. In contrast, for all other samples the diffusion resistance appears, provoking a significant drop of their transformation rates. This finding shows that during sulfidation of Cu-doped ZnO the diffusion is faster than for all other sorbents. The same effect was observed for the sample prepared by impregnation ot ZnO powder and containing supported Cu species. In order to understand the origin of this effect, the sulfided sorbents were characterized by XRD and N2 physisorption, and no correlation was found between the sulfidation rate and textural properties of formed sulfides. This result indicates that sulfur transport during sulfidation occursbysolid state rather than gas phase diffusion. Also XPS has shown that Cu2S―ZnS solid solution is formed during sulfidation of the Cu-doped solids. We thus suggest that diffusion enhancement in the presence of copper is brought about by sulfur vacancies created through charge compensation of Cu+ replacing Zn2+.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128696

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5705-5713

Titre :	Adsorptive removal of aromatic compounds present in wastewater by using dealuminated faujasite zeolite
Type de document :	texte imprimé
Auteurs :	Bachar Koubaissy, Auteur ; Guy Joly, Auteur ; Isabelle Batonneau-Gener, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5705-5713
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Zeolite Waste water
Résumé :	The adsorption of aromatic compounds (nitrophenols, nitroaniline, chlorophenols, chloroanilines) present in wastewater using dealuminated faujasite zeolite has been investigated. The adsorption capacity of faujasite zeolite depends on the pH, (the neutral form of the pollutants is more easily adsorbed into zeolite than the dissociated form), and on the solubility in water of the aromatic compounds. The adsorption capacity for a family of compounds increases with decreasing water solubility. In this study, we have shown that the pollutant acidic character enhances their adsorption into the zeolite. Thus, the changeover ofphenol to aniline decreases the adsorbent-adsorbate interaction, as well as in the substitution of the NO2 group by a Cl group. The adsorption data was analyzed using the Fowler-Guggenheim isotherm. The sorption mechanism of nitrophenol in faujasite zeolite was investigated using Raman spectroscopy and through a thermodesorption kinetic study. The relative affinity of the phenolic compounds toward the surface of the dealuminated faujasite was related to the electron donor-acceptor complex formed between the basic sites on the zeolite (oxygen) and the hydrogens (acidic site) of the aromatic ring and of the phenols and anilines functions.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128695

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5693–5704

Titre :	Using sparse-grid methods to improve computation efficiency in solving dynamic nonlinear chance-constrained optimization problems
Type de document :	texte imprimé
Auteurs :	Michael Kloppel, Auteur ; Abebe Geletu, Auteur ; Armin Hoffmann, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5693–5704
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization
Résumé :	Chance-constrained programming is known as a suitable approach to optimization under uncertainty. However, a serious difficulty is the requirement of evaluating the probability of holding inequality constraints through the numerical computation of multidimensional integrals. If a nonlinear system with many uncertain variables is considered, the computational load will be prohibitive when using a full-grid integration method. Thus our aim is to investigate a method to decrease the computation expense in solving nonlinear chance-constrained optimization problems with many uncertain variables. In particular, we consider dynamic nonlinear process optimization under uncertainty, which will be transferred into a nonlinear chance-constrained optimization problem by a discretization scheme. To solve this problem, we propose to use sparse-grid methods for the evaluation of the objective function, the probability of constraint satisfaction, and their gradients. These components are implemented in a nonlinear programming framework. A dynamic mixing process is taken to illustrate its computation efficiency. It can be shown that the computation time will be significantly reduced using the sparse-grid method, in comparison to using full-grid methods.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102426w

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5680-5692

Titre :	Designing a packed dividing wall column for an aromatics processing plant
Type de document :	texte imprimé
Auteurs :	Igor Dejanovic, Auteur ; Ljubica Matijasevic, Auteur ; Helmut Jansen, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5680-5692
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Aromatics processing plant
Résumé :	This paper introduces a comprehensive design method assembled using facilities of a commercial software package that complemented by Excel programs, which contain own column dimensioning and well established cost estimation procedures, enables proper assessment of the industrial viability of a dividing wall column (DWC) equipped with corrugated sheet structured packings. The heart of the performance simulation tool is a detailed four-column model that in conjunction with a simple, theoretically founded short-cut method providing reliable initial values for liquid and vapor splits and a simple but effective objective function for design optimality indication allows determination of the adequate stage and reflux requirement of a DWC. The proposed dimensioning method enables a close approach in accuracy to that required at the stage of conceptual design for purposes of making a bid by an equipment manufacturer. Compared to a two-columns-in-series configuration, as employed in an aromatics processing complex within a refinery, a DWC equipped with state-of-the-art structured packing and auxiliary internals requires approximately 43% less energy to deliver three fractions at required product specifications. This, accompanied by savings of nearly 51% based on total annualized costs, indicates that implementing a DWC could lead to a significant increase in profitability of aromatics processing plants.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1020206

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5667–5679

Titre :	An integrated fault detection and isolation and safe-parking framework for networked process systems
Type de document :	texte imprimé
Auteurs :	Miao Du, Auteur ; Rahul Gandhi, Auteur ; Prashant Mhaskar, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5667–5679
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Detection Isolation
Résumé :	This work considers the problem of fault detection and isolation (FDI) and fault-handling for networked process systems subject to actuator faults. Multiple units are interconnected in the context of a networked plant. It is assumed that the failed actuator reverts to its fail-safe position and precludes the possibility of nominal operation in the affected unit. First, a robust FDI design is presented, where relations between the prescribed inputs and state measurements in the absence of faults are constructed with the consideration of uncertainty by using the process model. A fault is detected and isolated when the corresponding relation is violated. Then, an algorithm is developed to generalize the safe-parking approach (maintaining the process at an appropriate temporary operating point, which is called a safe-park point, during fault rectification) for fault-tolerant control to account for complex interconnections such as parallel and recycle streams in networked process systems. In particular, it can determine the units that need to be safe-parked during fault rectification and generate possible safe-park points for these units. The efficacy of the integrated FDI and safe-parking framework is demonstrated on a chemical process example comprising three reactors and a separator.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101786t

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5661-5666

Titre :	Continuous process for recycling silane cross-linked polyethylene using supercritical alcohol and extruders
Type de document :	texte imprimé
Auteurs :	Toshiharu Goto, Auteur ; Shingo Ashihara, Auteur ; Takanori Yamazaki, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5661-5666
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Extruder Supercritical state Recycling Continuous process
Résumé :	In this study, we developed a continuous process using extruders in a pilot plant for recycling silane cross-linked polyethylene (silane-XLPE) via chemical reaction in supercritical alcohol. As a first step, an autoclave was employed to reveal the effects of temperature and pressure on the reaction that selectively decomposes the siloxane cross-linking bonds. Selective decomposition of the siloxane bond was found to occur in the supercritical alcohol. In the next step, an extruder was used to continuously feed silane-XLPE into a tube reactor containing supercritical alcohol. Silane-XLPE was then extruded with an injection of supercritical alcohol. Alcohol remained in the supercritical state inside the cylinders of the extruder and the tube reactor. The recycled polyethylene (PE) was continuously extruded from the reactor at a rate of 14 kg/h. The product produced by this continuous process was the same as that from the autoclave. The mechanical properties of the recycled PE satisfied the requirements for use as a wire and cable insulation material. These results suggest that the extruder proved to be useful for the continuous denaturation of a cross-linked polymer in supercritical alcohol.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128691

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5651-5660

Titre :	Multiobjective optimization of water-using networks with multiple contaminants
Type de document :	texte imprimé
Auteurs :	Bao-Hong Li, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5651-5660
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Pollution Optimization
Résumé :	A systematic multiobjective optimization procedure is developed in this study to produce realistic multicontaminant water-using network designs. In every given design problem, the most appropriate structure is identitied by solving three mathematical programming models (that is, one nonlinear program and two mixed-integer nonlinear programs) sequentially so as to satisfy different criteria in order of decreasing importance. Freshwater conservation is given the top priority in the present work because of its scarcity in environment and the pollution problems caused by wastewater effluents. Minimization of the total number of interconnections in the water network is treated as the next design goal since network complexity is directly related to operability, controllability and safety. The final step in the sequential procedure is to minimize the total throughput and, consequently, the operating and capital costs of all water using units as well. Five examples are presented in this paper to demonstrate the effectiveness of proposed procedure. When compared with the network designs obtained with available methods reported in literature, it can be observed that better solutions can usually be generated with our approach.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128690

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5642-5650

Titre :	Dyeing natural cellulose fibers from cornhusks : a comparative study with cotton fibers
Type de document :	texte imprimé
Auteurs :	Narendra Reddy, Auteur ; Vigneshwar Arul Thillainayagam, Auteur ; Yiqi Yang, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5642-5650
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Comparative study
Résumé :	This research shows that natural cellulose fibers extracted from cornhusks have better dyeing properties for direct and sulfur dyes and similar dyeing properties for reactive and vat dyes compared to cotton fibers dyed under similar dyeing conditions. Cornhusk fibers have unique structure and properties compared to cotton and common lignocellulosic fibers. However, the short single cells, higher amounts of lignin and hemicellulose, lower percent crystallinity and relatively coarse fibers make the common cellulose fiber dyeing conditions unsuitable to dye cornhusk fibers. In this research, cornhusk fibers were dyed with one dye each from four dye classes, direct, reactive, vat, and sulfur dyes. The dyeing behavior of the fibers was fit in to the common isotherms and the kinetic parameters such as dyeing rate constant, diffusion coefficient, and half-time for dyeing were calculated. It was found that the physical properties of the fibers and structure of the dye had considerable influence on the dye sorption and rate of dyeing. Lower percent crystallinity, smaller crystal size, and presence of hemicellulose, lignin, and higher amounts of surface impurities are mostly responsible for the higher dye sorption on com fibers compared to cotton.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128689

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5634-5641

Titre :	Suitability of a solid amine sorbent for CO2 capture by pressure swing adsorption
Type de document :	texte imprimé
Auteurs :	A. D. Ebner, Auteur ; M. L. Gray, Auteur ; N. G. Chisholm, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5634-5641
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Pressure swing adsorption Carbon dioxide
Résumé :	This study showed that a solid amine, composed ot poly(ethylenimine) immobilized into a CARiACT G 10 silica substrate, is a feasible sorbent for applications in a pressure swing adsorption (PSA) process for postcombustion CO2 capture. This deduction materialized from an extensive study of the behavior of this material over a wide range of industrially relevant conditions using thermogravimetric analysis. The temperature ranged from 40 to 100 °C, the CO2 partial pressure ranged from 1.2 to 100 vol % with the total pressure fixed at 1 atm, the relative humidity ranged from dry conditions to 2 vol %, and the number of consecutive adsorption and desorption cycles ranged from 4 to 76. The results revealed that this solid amine sorbent was very stable under the conditions investigated. Water vapor at a low relative humidity exhibited only a minor and reversible effect on both the thermodynamics and kinetics of the CO2 uptake and release. The isothermal CO2 working capacity ranged between 0.25 and 2.8 mol/kg, increased with increasing CO2 concentration, exhibited a maximum with increasing temperature, and produced a heat of adsorption/reaction of around 50.0 kJ/mol. It was also determined that the optimal operating temperature for a PSA process was around 80 °C for CO2 partial pressures >10 kPa and 60―70 °C for CO2 partial pressures <10 kPa.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128688

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5628-5633

Titre :	Preparation of starch−fatty acid modified clay and Its application in packaging papers
Type de document :	texte imprimé
Auteurs :	Shilin Cao, Auteur ; Delong Song, Auteur ; Yulin Deng, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5628-5633
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Packaging Preparation
Résumé :	To improve the bondability between clay filler and lignocellulosic fiber, Kaolin clay particles were modified using a starch―fatty acid complex method. The coating efficiency of starch on clay particle surfaces was investigated by measuring the dissolved starch in the supernatant. The experimental results indicated that more than 98% of the applied starch was precipitated onto the surface of the filler, and the resulting starch—fatty acid-clay composites had relatively good resistance against moderate shear force. The morphology, particle size, and ξ potential of the starch modified filler were also determined with scanning electron microscopy, Malvern particle size analyzer, and Malvern Zetasizer, respectively. An aqueous slurry of linerboard pulp containing 5―5 wt % modified fillers was used for handsheet preparation, and the effects of the addition of modified filler on the paper properties were studied. At a dosage of 10% of the modified filler (based on filler), the retention of the filler was higher than 75%. The strength properties of paper with starch modified fillers were improved by approximately 15% when compared against those of paper with unmodified fillers.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128687

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5618-5627

Titre :	Preparation and characterization of gel-like dispersions based on cellulosic pulps and castor oil for lubricant applications
Type de document :	texte imprimé
Auteurs :	N. Nunez, Auteur ; J. E. Martin-Alfonso, Auteur ; M. E. Eugenio, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5618-5627
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Lubricant Dispersion Preparation
Résumé :	In this work, the use of different cellulosic pulp samples to prepare new formulations potentially applicable as biodegradable lubricating greases is explored. Cellulosic pulps from different raw materials and submitted to different pulping process and/or several acidic treatments were characterized and used as biothickener agents to formulate gel-like dispersions. Cellulose pulp samples mainly differed in polymerization degree (160―893 cm3/g) and lignin (0.3―27.1% w/w) and α-cellulose (46.0―85.1% w/w) contents. Rheological measurements and some standard mechanical tests usually performed with lubricants were carried out. The rheological response of cellulosic pulp-based gel-like dispersions is mainly a consequence of the balance between the cellulose polymerization degree and lignin and α-cellulose contents, independently on the origin of cellulose samples and pulping treatment. An empirical correlation between a power function of these variables and the plateau modulus has been proposed to predict the rheological behavior of resulting formulations. However, cellulosic pulp-based dispersions studied generally present either poor mechanical stability or low consistency indexes than expected for lubricating greases.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128686

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5611-5617

Titre :	Chemical purification of ZnO Nanoparticles by dialyzing treatments and their use in fabricating luminescent antireflective nanocomposite thin films
Type de document :	texte imprimé
Auteurs :	Natsumi Watanabe, Auteur ; Shinobu Fujihara, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5611-5617
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Thin film Nanocomposite Nanoparticle Purification
Résumé :	ZnO nanoparticles were prepared by a chemical solution method using the reaction between Zn(CH3COO)2 ·2H2O and LiOH · H2O in an ethanol solvent. A dialyzing treatment of the resultant chemically impure nanoparticles was introduced in the present work, aiming at increasing their chemical purity in terms of adsorbed species. The progress of dialysis was monitored with electrical conductivity of dialysate. X-ray diffraction analysis and Fourier transform infrared spectroscopy were employed to check the chemical purity of the ZnO nanoparticles after the dialyzing treatment. Furthermore, the dialyzed ZnO nanoparticles were utilized to fabricate ZnO/SiO2 nanocornposite thin films by a sol-gel method with a dip-coating technique. Stable coating solutions were obtained only with the dialyzed ZnO nanoparticles, which also indicated their chemical purity. The nanocomposite thin films exhibited a unique optical property with antireflection against visible light and photoluminescence under irradiation with ultraviolet light.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128685

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5606-5610

Titre :	Humidity sensing properties of CdS nanoparticles synthesized by chemical bath deposition method
Type de document :	texte imprimé
Auteurs :	Ramazan Demir, Auteur ; Salih Okur, Auteur ; Seker Mavise, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5606-5610
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Nanoparticle Humidity
Résumé :	Thin films of CdS nanoparticles were synthesized by the chemical bath deposition (CBD) technique to investigate humidity response characteristics. The morphology and the crystal structure of CdS thin films were investigated by scanning electron microscopy (SEM) and X-ray diffraction (XRD), respectively. The quartz crystal microbalance (QCM) technique was used to measure the water vapor adsorption and desorption rates of CdS thin films. The dynamic Langmuir model was used to analyze the kinetics of the moisture adsorption and desorption process under relative humidity (RH) between 17 and 85% RH. Our results indicate that CdS thin films have a great affinity to humidity at room temperature.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128684

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5596-5605

Titre :	Electron beam irradiation cross linking of halogen-free flame-retardant ethylene vinyl acetate (EVA) copolymer by silica gel microencapsulated ammonium polyphosphate and char-forming agent
Type de document :	texte imprimé
Auteurs :	Bibo Wang, Auteur ; Qilong Tai, Auteur ; Shibin Nie, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5596-5605
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Silica gel Flame retardant
Résumé :	Flame-retardant ethylene vinyl acetate copolymer (EVA) by silica gel-microencapsulated ammonium polyphosphate (MCAPP) and char-forming agent (CFA) have been cross linked by electron beam irradiation. The effects of electron beam irradiation on the electrical, thermal, mechanical, and flame-retardant properties of irradiated EVA composites were investigated. The thermal degradations of EVA/MCAPP/CFA composites were characterized by real-time Fourier transform infrared spectra and thermogravimetric analysis/infrared spectrometry. The results showed that a joint effect on the flame retardancy of EVA composites existed between the MCAPP and CFA. The volume resistivity and mechanical and thermal properties of the irradiated EVA composites were also evidently improved at appropriate irradiation dose as compared with those of unirradiated EVA composites, whereas the volatilized products for the combustible gases were decreased. Furthermore, the irradiated EVA composites can still pass UL-94 V-0 rating after treatment by water for 7 days at 50 °C, indicating excellent water resistance. This investigation provides a promising formulation for the halogen-free flame-retardant EVA with excellent properties.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128683

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5589-5595

Titre :	Preparation of polyaniline nanofibers by high gravity chemical oxidative polymerization
Type de document :	texte imprimé
Auteurs :	Xin-wei Lu, Auteur ; Wei Wu, Auteur ; Jian-feng Chen, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5589-5595
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Polymerization Oxidation Preparation
Résumé :	To develop a suitable method for the mass production of polyaniline (PANI) nanofibers, the preparation of PANI nanofibers was carried out by high gravity chemical oxidative polymerization (HGCOP) in a rotating packed bed (RPB) for the first time. The influences of operating conditions, e.g., aniline concentration, high-gravity level, reaction temperature, and dopants, on the morphology of PANI nanofibers were investigated in detail. FTIR, UV―vis, XRD, molecular weight, and conductivity analyses were performed to characterize the products. Advantages of this new method are discussed. PANI nanofibers were successfully obtained in a wide range of aniline concentration (0.1―0.5 M) and reaction temperature (0―60 °C). The nanofibers kept small diameters of 30―50 nm and uniform morphology even when synthesized with a high initial aniline concentration of 0.5 M. This method provides a significant improvement to the rapid mixing route to prepare PANI nanofibers in large scale, moreover, it has potential applications in the synthesis of other conductive polymers.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128682

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5584-5588

Titre :	Tin oxide nanowires synthesized via flat flame deposition : structures and formation mechanism
Type de document :	texte imprimé
Auteurs :	Jie Liu, Auteur ; Yanjie Hu, Auteur ; Feng Gu, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5584-5588
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Formation mechanism Flame
Résumé :	Premixed atmospheric flat flame deposition is a large-scale composite fabrication method that combined the advantages of flame synthesis and thermal evaporation. The technology has been successfully developed to sythesize SnO2 nanowires. The results showed that the as-prepared SnO2 nanowires with special tips are uniform single crystals, growing along [001] direction. Meanwhile, the growth mechanism of the present novel structure, which is a combination of both a vapor-solid ( VS) growth mechanism and a particle formation mechanism in a flame without any catalyst, is also proposed, Furthermore, the optical property is investigated by photoluminescence (PL) spectroscopy, indicating that such SnO2 nanowires exhibit a much stronger emission peak at 620 nm. More importantly, this approach also provides a new pathway for sequentially engineering one-dimensional nanomaterials.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128681

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5575-5583

Titre :	Viscous oil emulsification by catastrophic phase inversion : influence of oil viscosity and process conditions
Type de document :	texte imprimé
Auteurs :	Johanna Galindo-Alvarez, Auteur ; Veronique Sadtler, Auteur ; Lionel Choplin, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5575-5583
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Viscosity Phase reversal Emulsification
Résumé :	This study deals with the description of the influence of oil viscosity and process conditions on catastrophic phase inversion, through the analysis of the effects of formulation and process variables on the dispersed phase fraction at which the inversion is triggered. The in situ simultaneous follow-up of viscosity and conductivity measurements allowed, from a process point of view, to emphasize the effect of the aqueous phase addition rate on the catastrophic phase inversion point (PIP) and multiple w/ O/W emulsion formation. Thus if the aqueous phase is added by very small fractions, formulation dominates and the inversion phenomenon can be accelerated, as a consequence of multiple emulsion formation, that greatly increases the volume of effective dispersed phase. An increase in oil viscosity greatly increased the tendency of the oily phase to become the dispersed phase and promoted the formation of highly concentrated emulsions (about 80 to 95% in volume) after inversion.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128680

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5565–5574

Titre :	A novel centrifugal method for wettability characterization of granulates
Type de document :	texte imprimé
Auteurs :	Paul D. Swenson, Auteur ; Geza Horvath-Szabo, Auteur ; Wael Abdallah, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5565–5574
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Granulat Centrifugal method
Résumé :	The minimum force needed for transporting glass microspheres across oil/water (O/W) interfaces was determined experimentally. From this data, the O/W contact angle was calculated with a mathematical model. First, the measured minimum centrifugal force was combined with a simplified model leading to an approximate contact angle. Then the results were refined by a numerical solution of the accurate mathematical model of particle transport through an oil/water interface. The contact angles calculated by the suggested approach were compared with the contact angles measured by goniometry on flat glass surfaces in the presence and absence of sodium dodecyl sulfate (SDS), Triton X-100, and Igepal CO-520 surfactants. The discrepancies were interpreted with the different surface chemistries/morphologies of glass microspheres and slides. The results show potential for this being a rapid screening method for chemical additives aimed at altering the wettability. This approach could be utilized in the oil and gas industry and especially to support enhanced oil recovery (EOR).
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1020798

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5550-5564

Titre :	Preparation, morphology, performance, and hydrophilicity studies of poly(amide-imide) incorporated cellulose acetate ultrafiltration membranes
Type de document :	texte imprimé
Auteurs :	Sahadevan Rajesh, Auteur ; Kavalapara H. Shobana, Auteur ; Selvaraj Anitharaj, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5550-5564
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Membrane separation Ultrafiltration Morphology Preparation
Résumé :	Fouling-resistant cellulose acetate (CA) membranes were prepared by the phase inversion technique using hydrophilic poly(amide-imide) (PAI) as the modification agent. The prepared membranes were characterized using attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), pure water flux, water content, porosity, and contact angle technique to investigate the influence of PAI on the final properties of the membranes. Intermolecular interactions between the components in blend membranes were established byATR-FTIR, and semicrystalline nature was conhrmed by XRD. SEM analysis showed that blend CA membranes have a thinner top layer and higher porosity in the sublayer. AFM surface roughness analysis data substantiate the enhanced surface porosity with an increase in PAI content, while the mean pore size decreases. The contact angle measurements indicated that the hydrophilicity of the CA membranes was improved by the addition of PAI due to the preferential orientation of functional groups towards the surface. Moreover, the surface free energy parameters of the membrane such as surface free energy, interfacial free energy, work of adhesion, and spreading coefficient were calculated. From the results, it was revealed that low interfacial free energy membranes prepared by the incorporation of PAI may be valuable in fouling-resistant industrial separations.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128678

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5543-5549

Titre :	Effect of hydrothermal treatment on adsorption properties of silica gel
Type de document :	texte imprimé
Auteurs :	Alfred A. Christy, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5543-5549
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Silica gel Adsorption Hydrothermal treatment
Résumé :	It has been proven by coupling near infared spectroscopy to second derivative processing of the spectra that the free and hydrogen bonded silanol groups attached to water molecules absorb at 5314 and 5270 cm―1, respectively. The same method was employed to probe the surface of the hydrothermally treated silica gel samples after pretreatment and evacuation at three different temperatures. The chemical and physical properties of silica gel depend on the nature of the surface silanol groups. Free silanol groups and hydrogen bonded silanol groups play an important role in adsorption of water molecules. Any change or variation in the silanol groups is expected to change the adsorption properties of any silica gel. Two silica gel samples with varying surface characteristics were used in this study. After heating and evacuating at 200, 750, and 1100 °C, the samples were hydrothermally treated in steel bombs and their surface functionalities were probed using near-infrared spectroscopy. The same samples were also dehydroxylated at 450 and 650°C and analyzed by near-infrared spectroscopy. Furthermore, effectiveness of the treated samples in adsorbing water molecules was followed by monitoring the mass of water adsorbed by silica gel. These investigations form the basis for understanding the relationship between adsorption effeciveness and types of silanol groups on silica gel surface. The results clearly indicate that the hydrothermal treatment of silica gel pretreated at temperatures up to 750°C increases the concentration of hydrogen bonded silanol groups on the silica gel surface. The sample treated at 1100 °C did not undergo any change under hydrothermal treatment. The concentration of free silanol groups increases in the dehydroxylated samples. The results also show that the adsorption rates of water molecules on the surface decrease significantly after pretreatment of these samples at a particular humidity.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128677

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5532–5542

Titre :	Modulating electrochemical activity in polyaniline/titanium oxide hybrid nanostructured ultrathin films
Type de document :	texte imprimé
Auteurs :	Antonio F. Frau, Auteur ; Thomas J. Lane, Auteur ; Andrea E. Schlather, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5532–5542
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Electrochemical Titanium oxide
Résumé :	Hybrid and nanostructured ultrathin films of polyaniline (PANI) were fabricated using combined layer-by-layer (LbL) and surface sol−gel (SSG) processing with titanium oxide (TiOx) layers. This enabled modulation of the electrochemical and the doping−dedoping process of the electroactive conjugated polymer with respect to thickness, presence of another polyelectrolyte, and intercalation of the inorganic slabs. The structure, composition, and viscoelastic behavior were proven by UV−vis absorbance, FT-IR, XPS, and QCM-D measurements. Spectroelectrochemical behavior showed that the oxidative stability of the films brought about the nanostructure control of the LbL process. On the other hand, the presence of the inorganic layer resulted in preventing electron transfer based on quinoid to benzenoid, Q → B, transitions. Thus, pairing the LbL assembly and the SSG process yielded a highly ordered, tunable structure in which the electrochemical behavior was modulated and correlated with diffusion-related arguments (Cottrell equation) of a blocking effect of the sol−gel layer. Further studies will be made on evaluating possible applications in thin film battery and capacitor devices.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101805a

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5523–5531

Titre :	Steam-chest molding of expanded polypropylene foams. 2. mechanism of interbead bonding
Type de document :	texte imprimé
Auteurs :	Wentao Zhai, Auteur ; Young-Wook Kim, Auteur ; Dong Won Jung, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5523–5531
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Mechanism Interbead bonding
Résumé :	Expanded polypropylene (EPP) bead foams were processed using steam-chest molding. Interbead bonds formed during processing and was characterized by observing both the product surface and the fracture surfaces using scanning electron microscopy (SEM) and by measuring the tensile properties of specimens. It was found that both the degree of interbead bonding and the tensile strength had a direct relationship to the steam pressure/temperature and that high steam temperature enhanced the crystallization behavior of EPP beads during the cooling process. A formation mechanism of interbead bonding during processing was proposed based on the crystal melting behaviors, as discussed in the first article of this series (Zhai et al. Ind. Eng. Chem. Res. 2010, 49, 9822). Possible parameters influencing the formation of interbead bonding, namely, steam temperature/pressure and bead foam expansion ratio, were investigated in this study. The effect of postannealing of the EPP products on the shrinkage and crystallinity of the molded EPP products was also addressed.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101753w

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5510–5522

Titre :	Direct synthesis and accessibility of amine-functionalized mesoporous silica templated using fluorinated surfactants
Type de document :	texte imprimé
Auteurs :	Gifty Osei-Prempeh, Auteur ; Hans-Joachim Lehmler, Auteur ; Stephen E. Rankin, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5510–5522
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Surfactant
Résumé :	3-Aminopropyl functionalized silica is synthesized directly using cationic fluorinated surfactants (C6F13C2H2NC5H5Cl (HFOPC) and C8F17C2H2NC5H5Cl (HFDePC)) and a hydrocarbon surfactant (C16H33N(CH3)3Br (CTAB)) as templates. The resulting 3-aminopropyl functionalized silica has a two-dimensional hexagonal pore structure, with greater order and surface area in the CTAB-templated material than the fluorinated-surfactant-templated materials. Greater amine incorporation is achieved using CTAB (1.44 mmol/g), with the least amine incorporation being observed in the HFDePC-templated material (0.92 mmol/g). The incorporation of fluorescein isothiocyanate (FITC) is used to qualitatively probe the accessibility of the amine groups. The reaction of benzaldehyde with the amine groups results in the incorporation of benzaldehyde, which is consistent with the higher accessibility of amines in fluorocarbon-surfactant-templated silica. The interaction of dry CO2 with amines results in higher CO2 sorbed in 3-aminopropyl-functionalized silica than nonfunctionalized silica, with greater amine accessibility being observed in the fluorocarbon-templated silica. The incorporation of perfluorooctyl in 3-aminopropyl-functionalized silica reduces the physisorption and CO2−amine interaction.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128674

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5499–5509

Titre :	Activity function for describing alteration of three-way catalyst performance over palladium-only three-way catalysts by catalyst mileage
Type de document :	texte imprimé
Auteurs :	Sung Bong Kang, Auteur ; Hyuk Jae Kwon, Auteur ; In-Sik Nam, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5499–5509
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Catalyst mileage
Résumé :	A simple three-way catalyst (TWC) activity function based upon the alteration of the Pd metallic surface area (MSA) of Pd-only commercial monolith TWCs has been developed to describe the change of the catalytic performance with respect to the Pd metal loading varying from 5 to 10 g/L and the field-aged catalyst mileage from 4K (stabilized) to 98K miles. Particularly, the change of the Pd MSA of TWC with respect to the catalyst mileage has been well-correlated by the second-order sintering kinetics, regardless of the Pd content of the TWC. The TWC activity function was incorporated into the primary reaction kinetics developed for the stabilized 4K Pd-only TWCs to predict the deactivation of the Pd-only TWC performance with respect to the field-aged mileage. The overall reaction kinetic model with the TWC activity function developed in the present study is capable of describing the alteration of TWC performance with respect to the catalyst mileage, regardless of the catalyst metal content.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie200083f

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5490-5498

Titre :	Kinetic model of NOx SCR using urea on commercial Cu−zeolite catalyst
Type de document :	texte imprimé
Auteurs :	Atul Pant, Auteur ; Steven J. Schmieg, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5490-5498
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Modeling Catalyst Zeolite Selective catalytic reduction Kinetic model
Résumé :	Analysis of catalyst performance data over a commercial Cu―zeolite SCR catalyst shows that NH3 oxidation leads to NO formation at temperatures above 500 °C. This contributes to the reduction ín NO conversion efficiency at high temperatures. It is shown that the conversion of NH, to NO should be second order in NH3 concentration. A kinetic model incorporating this reaction is developed for a commercial SCR catalyst. The kinetic parameters are estimated using NO and NH3 conversion data collected over varying temperatures, flow rates, NH3 to NOx ratios, and NO2 to NOx ratios using actual engine exhaust. The optimized pre-exponential factors and activation energy are reported. The model is validated by comparing predictions with catalyst performance data over other engine operating conditions. The model predictions are in reasonable agreement with the measurements except at low temperatures and flow rates. The R2 value for NO conversion efficiency predictions is 0.88 and for NH3 slip is 0.76 excluding the predictions at low temperature and flow. Substoichiometric and superstoichiometric consumption of ammonia is observed while using urea for NOx SCR. It is proposed that lower ammonia consumption is due to direct reduction of NOx by unconverted urea or intermediates formed during urea to ammonia conversion. More than the stoichiometric amount of NH3 consumption at low temperature cannot be attributed to ammonia oxidation. The model shows that the predictions for this data can be significantly improved by allowing for incomplete conversion of urea to ammonia.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128672

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5485–5489

Titre :	Styrene production through 1-phenylethanol vapor-phase dehydration in a new reaction system
Type de document :	texte imprimé
Auteurs :	Juan P. Perez Valencia, Auteur ; Estanislao San Nicolas Sayans, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5485–5489
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Styrene Phenylethanol
Résumé :	This work describes an improved new reaction scheme for catalytic alcohol dehydration to the corresponding alkene, particularly as applied to styrene monomer production from 1-phenylethanol. The reaction was carried out in a bubble column containing an ionic liquid acid catalyst, which remains in liquid phase at the reaction conditions. The catalyst was set in a bubble tray and jacketed for heat supply, and a vapor containing the alcohol was fed through it. Good reaction control and high selectivity to styrene monomer (>97%) were achieved. Reduced ethylbenzene production (selectivity <0.01%) and ether and styrene oligomer formation (negligible) were observed compared to conventional systems.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1025562

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5478–5484

Titre :	Control of competing hydrogenation of phenylhydroxylamine to aniline in a single-step hydrogenation of nitrobenzene to p-aminophenol
Type de document :	texte imprimé
Auteurs :	Jayprakash M. Nadgeri, Auteur ; Narayan S. Biradar, Auteur ; Priyanka B. Patil, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5478–5484
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Catalytic hydrogenation Nitrobenzene
Résumé :	Two steps involving catalytic hydrogenation of nitrobenzene to phenylhydroxylamine (PHA) in acid medium and its rearrangement to p-aminophenol (PAP) were studied separately in a batch reactor, using a well-characterized 3% Pt/C catalyst. The first step of hydrogenation of nitrobenzene to PHA could be carried out at 303 K and a H2 pressure of 0.69 MPa with complete conversion of nitrobenzene, while the achieved selectivity to PHA was higher than 90% with some formation of aniline, even at lower temperature. The second step of PHA rearrangement to PAP could be achieved under a hydrogen atmosphere at elevated temperature of 353 K to give a maximum selectivity to PAP of 74%.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102544a

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5467-5477

Titre :	Influence of graphite as a shaping agent of Bi molybdate powders on their mechanical, physicochemical, and catalytic properties
Type de document :	texte imprimé
Auteurs :	Victor G. Baldovino-Medrano, Auteur ; Minh Thang Le, Auteur ; Isabel Van Driessche, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5467-5477
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Catalytic reaction Powder
Résumé :	The influence of using graphite (G) as a shaping agent for bismuth molybdate (BiMo) catalysts was analyzed. Shaping was done by tableting, with addition of different loadings of graphite (0, 0.5, 1, 3, 5, 7, and 10 wt The use of graphite during the pressing of bismuth molybdate powders eases tableting because of the lubricating properties of the former. Furthermore, the compressive strength of BiMo-G tablets is higher than that of pure BiMo. Concerning the physicochemical properties of BiMo-G, XRD and XPS showed that graphite changes neither the relative distribution of the crystallographic phases of bismuth molybdate nor the oxidation state of bismuth and molybdenum in the tableted powders. Consequently, the shaped BiMo-G catalysts displayed similar, or slightly better, performances in the selective oxidation of propylene to acrolein. TGA analysis of samples of BiMo-G confirmed the thermal stability of the catalysts under oxidative conditions. Graphite was observed to experience crystallization into the hexagonal 2H phase during the catalytic tests. The results reported herein demonstrate that graphite is an effective shaping agent for bismuth molybdate powders.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128669

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5459-5466

Titre :	Pyrolysis of mixed plastics in a fluidized bed of hard burnt lime
Type de document :	texte imprimé
Auteurs :	Guido Grause, Auteur ; Shotaro Matsumoto, Auteur ; Tomohito Kameda, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5459-5466
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Fluidized bed Fluidization Plastics Pyrolysis
Résumé :	A mixture consisting of 45 wt % polyethylene, 20 wt % polypropylene, 20 wt % polystyrene, and 15 wt % poly( ethylene terephthalate) was pyrolyzed in the presence of steam as well as nitrogen, using a fluidized bed reactor with hard burnt lime (HBL) as bed material. The experiments were carried out at 600 and 700 °C. Unlike soft burnt lime, HBL exhibited good fluidizing properties, with negligible attrition. The impact of HBL on the product distribution and the ability of HBL to support the degradation of PET under certain conditions were investigated. Compared with experiments done in the presence of quartz sand, the gas yield increased, while the wax fraction was significantly reduced. In the presence of HBL, the benzene yield rose sharply due to the decarboxylation of PET. While terephthalic acid was present in the wax fraction derived from experiments with quartz sand, it was not detected as a part of the wax fraction when HBL was used.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128668

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5448–5458

Titre :	Effect of periodic variation of the Inlet concentration on the performance of reverse flow reactors
Type de document :	texte imprimé
Auteurs :	Geng Chen, Auteur ; Yong Chi, Auteur ; Jian-hua Yan, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5448–5458
Note générale :	Chimie
Langues :	Anglais (eng)
Mots-clés :	Reverse flow reactors
Résumé :	Reverse flow reactors are regarded as an appropriate tool for removing gaseous pollutants from industrial effluents. This paper presents the results of an experimental study on a particular reverse flow reactor with periodic variations in inlet concentration; these experimental results are compared with those obtained by numerical simulation studies. Catalytic oxidation of methane is chosen as model reaction. When the inlet concentration is low (i.e., close to extinction limits) and periodically varied, the interaction between the feeding cycle period and the flow-reversal cycle period may lead to reactor instability; adjusting the period of flow reversal is one way to maintain thermal stability in such situations. Results of numerical investigations reveal that if the flow-reversal cycle time is an odd multiple of the inlet variation cycle time, a harmonic response will occur, with sharply increased variation of the maximum temperature. Basically, it is the inequality of total methane input during the two half-cycles during flow-reversal operations that cause reactor instability. Adjusting the phase between the two cycle periods may ease the inequality of the inlet concentration values, which procures a second strategy to enhance reactor stability. The temperature maximum is very sensitive to the heat-transfer parameters, when periodic inlet variations are introduced.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102342w

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5440-5447

Titre :	Characterizing lactic acid hydrogenolysis rates in laboratory trickle bed reactors
Type de document :	texte imprimé
Auteurs :	Yaoyan Xi, Auteur ; James E. Jackson, Auteur ; Dennis J. Miller, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5440-5447
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Trickle bed reactor Hydrogenolysis
Résumé :	Representative reaction kinetics are difficult to obtain in mutiphase laboratory trickle bed reactors, particularly when the gaseous reactant is rate-limiting, because of mass transport resistances and reactor hydrodynamics in the trickle bed regime. The ruthenium-catalyzed hydrogenolysis of lactic acid to propylene glycol has been examined in trickle bed and batch reactors to better understand the influence of mass transfer and partial wetting and to identify operating conditions where intrinsic kinetic rates can be obtained. At high liquid flow rates and low conversions in the trickle bed reactor, propylene glycol formation rates agree well with intrinsic rates obtained in a stirred batch reactor, with rate independent of feed flow rate or bed configuration in the trickle bed reactor. Application of a mass transport model to the trickle bed reactor at lower flow rates allows rates to be predicted outside the intrinsic kinetic regime. These results provide guidance for proper operation oflaboratory trickle bed reactors and make it possible to predict performance in a trickle-bed reactor based on experiments conducted in bench-scale batch reactors.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128666

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5428-5439

Titre :	Synthesis gas from methane by using a plasma-assisted gliding Arc catalytic partial oxidation reactor
Type de document :	texte imprimé
Auteurs :	M. H. Rafiq, Auteur ; J. E. Hustad, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5428-5439
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Reactor Partial oxidation Catalytic reaction Plasma Synthesis gas
Résumé :	In this work, the potential for the catalytic partial Oxidation (CPOX) of methane (CH4) to produce synthesis gas (H2 and CO) was studied both experimentally and thermodynamically at a fixed pressure (1 bar) and electric power (0.3 kW). The investigations were performed in a partially adiabatic plasma-assisted (nonthermal) GlidingArc (GlidArc) reactor, using a Ni-based catalyst Two cases were studied: in the first, normal air (molar ratio of O2/N2 = 21/79) was used, whereas enriched air (O2/N2 = 40/60) was utilized in the second. The individual effect of the O2/CH4 molar ratio, gas hour space velocity (GHSV), and bed exiting temperature (Texit) was studied for both cases. The main trends of the CH4 conversion, the synthesis gas yield, and the thermal efficiency of the reactor based on the LHV (lower heating value) were analyzed and compared, and any deviations from equilibrium could be explained by temperature gradients and an irregular gas flow. In the findings from the studies, the results revealed that an H2/CO ratio of 2 could be obtained. For the normal air case, an optimal value of the O2/CH4 molar ratio of 0.7, a GHSV of 1.8 NL/(gcat·h), and a maximum temperature (Tmax) of 1065 °C were good reforming choices, whereas for enriched air, these values were 0.7, 1.8, and 1105 °C, respectively.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128665

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5414-5427

Titre :	Kinetic model for parallel reactions of CaSO4 with CO in chemical-looping combustion
Type de document :	texte imprimé
Auteurs :	Min Zheng, Auteur ; Laihong Shen, Auteur ; Xiaoqiong Feng, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5414-5427
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Modeling Combustion Parallel reaction Kinetic model
Résumé :	Chemical-looping Combustion (CLC) has been proposed as an energy-efficient combustion method for in situ capture of CO2. Kinetic model for parallel reactions of the CaSO4 oxygen carrier with CO in a CLC process is explored in this paper. Tests on an isothermal reaction were carried out in a Thermogravimetric Analyzer coupled with Fourier Transform Infrared spectrum (TGA-FTIR), and the instantaneous evolutions of SO2 and COS were monitored by the FTIR quantitative analysis. The reaction temperature was varied between 850 and 1050°C, while 5-28% CO concentrations were utilized. The experiments showed that the reduction of CaSO4 by CO was a complex process, with the products of either sole CaS or both CaS and CaO depending on the reaction temperature as well as the concentration of CO reactant. The parallel reactions of CaSO4 with CO were investigated in terms of the selectivity based on the nucleation and growth model under isothermal conditions. According to the fitting results, the nucleation and growth model fit well the conversion-time data, and some of the kinetic parameters were obtained.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128664

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5401–5413

Titre :	Removal of NOx with selective catalytic reduction based on nonthermal plasma preoxidation
Type de document :	texte imprimé
Auteurs :	Bin Guan, Auteur ; He Lin, Auteur ; Qi Cheng, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5401–5413
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Nonthermal plasma
Résumé :	An extensive series of experiments have been conducted using a nonthermal plasma generated by dielectric barrier discharge (DBD) process combined with vanadium pentoxide catalyst to reduce the nitrogen oxides (NOx) from diesel engine exhaust over a broad reaction temperature (100−500 °C). In this system, the effects of input voltage, propylene (C3H6) concentration, and sulfur content, etc. on the plasma facilitated (PF) selective catalytic reduction of NOx with NH3 were examined. In the presence of C3H6 as an additive, the oxidation of NO to NO2 is largely enhanced even with lower input voltages. The PF NH3−SCR system enhanced the overall reaction and showed a remarkable improvement in NOx removal efficiency at temperatures of 100−250 °C. The removal of NOx was found to be largely increased by the input voltage and the addition of propylene. Besides the small amount of nitrous oxide and the significant amount of carbon monoxide, aldehydes-type unregulated byproduct such as formaldehyde and acetaldehyde were also observed at the outlet of the DBD reactor, while formaldehyde and acetaldehyde could be almost completely removed in the NH3−SCR reactor. The NOx conversion decreases at lower temperatures but increases at higher temperatures with SO2 concentration increases. The PF NH3−SCR hybrid system can be used stably with several hundreds of ppm of SO2 in durability tests. Moreover, the presence of SO2 inhibits N2O formation at all employed reaction temperatures.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1019744

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5394–5400

Titre :	Effect of bulk temperature and frequency on the sonolytic degradation of 1,4-dioxane with Fe0
Type de document :	texte imprimé
Auteurs :	Hyun-Seok Son, Auteur ; Sung-Keun Kim, Auteur ; Jong-Kwon Im, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5394–5400
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Sonolytic degradation
Résumé :	The sonolysis of 1,4-dioxane in the absence and the presence of zero-valent iron (Fe0) was investigated by altering bulk temperature and ultrasonic frequency conditions. In the absence of Fe0, the sonolytic degradation efficiency of 1,4-dioxane was higher at 170 kHz as compared to that at 35 kHz. As bulk temperature increased, sononlytic degradation efficiency of 1,4-dioxane decreased at both frequencies; however, the rate decrease by the increase in temperature was smaller at 170 kHz than at 35 kHz. Adding methanol as a radical scavenger remarkably decreased the sonolytic degradation rate at 170 kHz within 60 min in all bulk temperatures. In contrast, the decrease in the degradation rate by adding methanol at 35 kHz was observed after 60 min only at 10 °C, but not at 20 and 30 °C. These results indicate that both bulk temperature and sonication frequency should be considered to optimize the sonolytic degradation. The degradation efficiency was significantly enhanced in the presence of Fe0 especially at 170 kHz, indicating that Fe0 can facilitate hydroxyl radical production by Fenton-type reaction mechanism during sonication.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101849p

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5384-5393

Titre :	Photocatalysis of clofibric acid under solar light in summer and winter seasons
Type de document :	texte imprimé
Auteurs :	Wenzhen Li, Auteur ; Shuguang Lu, Auteur ; Zhaofu Qiu, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5384-5393
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Solar radiation Photocatalysis
Résumé :	The performance of clofibric acid (CA) degradation in Milli-Q water and wastewater treatment plant (WWTP) effluent by solar/TiO2 and solar/ZnO was investigated in summer and winter seasons. The effects of NO3 and HCO3― anions, humic acid (HA), and H2O2 on CA photocatalysis were evaluated. Significant difference in CA degradation in two seasons was observed. Both NO3― and HCO3― anions adversely affected CA degradation, particularly at high HCO3― concentration. CA degradation slightly increased with 0.5 mg L―1 HA in solar/TiO2 in summer, but was significantly inhibited in winter at 20 mg L―1 HA However, the inhibitive effect of 20 mg L―1 HA on CA removal in solar/ZnO had no remarkable difference in two seasons. The degradation in solar/TiO2/H2O2 was similar to that in solar/TiO2, but was inhibited obviously in solar/ZnO/H2O2. When applying photocatalytic process into WWTP effluent, degradation rates were apparently lower compared to Milli-Q water and temperature caused a great adverse effect on CA elimination.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128661

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5376-5383

Titre :	Synergistic effect of graphene on antidripping and fire resistance of intumescent flame retardant poly(butylene succinate) composites
Type de document :	texte imprimé
Auteurs :	Xin Wang, Auteur ; Lei Song, Auteur ; Hongyu Yang, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5376-5383
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Composite material Flame retardant Fire resistance Synergism
Résumé :	Intumescent flame retardant poly(butylene succinate) (IFRPBS) composites with enhanced fire resistance were prepared using graphene as synergist. The morphology of fracture surfaces of the composites was investigated by scanning electron microscopy (SEM). The limiting oxygen index (LOI) values increased from 23.0 for the pure PBS to 31.0 for IFRPBS with 20 wt % IFR loading. The addition of graphene further improved the LOI values of the composites and exhibited excellent antidripping properties. The UL-94 V0 materials were obtained with a formulation of 18 wt % IFR and 2 wt % graphene. MFI measurement indicated that the presence of graphene significantly enhanced the melt viscosity and restrained the melt dripping. The thermal degradation and gas products of IFRPBS/graphene systems were monitored by thermogravimetric analysis (TGA), real time Fourier transform infrared spectrometry (RTFTIR), and thermogravimetric analysis-Fourier transform infrared spectrometry (TG-FTIR). X-ray photoelectron spectroscopy (XPS) was utilized to explore the chemical components of the outer and inner char residues.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128660

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5369-5375

Titre :	The temperature influence upon the complexation process between poly(aspartic acid) and poly(ethylene glycol)
Type de document :	texte imprimé
Auteurs :	Loredana E. Nita, Auteur ; Aurica P. Chiriac, Auteur ; Maria Bercea, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5369-5375
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Complexation
Résumé :	The temperature influence upon the formation of an interpolymer complex (IPC) based on poly(aspartic acid) (PAS) and poly(ethylene glycol) (PEG), was investigated. The water PAS/PEG mixture was studied in the temperature range between 22 and 37 °C. The registered data were correlated with the blend composition and the molecular weight of PEG. The intervened interchain physical interactions, especially the hydrogen-bonds, were evidenced by FT-IR spectroscopy. The miscibility and polymer-polymer interactions were experimentally estimated from the dynamic viscosity. The determination of the zeta potential and electrical conductivity of the interpolymer complexes during their formation are in good agreement with the rheological and spectral data. The variation of the composition, respectively, the PAS/PEG ratio, and the different molecular weights of PEG were used in order to establish the optimum conditions for the IPC achievement. The information was correlated on the mentioned interval of temperature.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128659

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5360-5368

Titre :	Experimental and kinetic study of iow temperature selective catalytic reduction of NO with NH3 over the V2O5/AC catalyst
Type de document :	texte imprimé
Auteurs :	Zhigang Lei, Auteur ; Aibin Long, Auteur ; Cuiping Wen, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5360-5368
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Catalyst Selective catalytic reduction Low temperature Kinetics
Résumé :	Selective catalytic reduction (SCR) of NO (nitric oxide) by NH3 (ammonia) at temperatures of393-523 K over AC (activated carbon) supported V2O5 (vanadium pentoxide) was investigated in this work. The V2O5/AC catalyst was prepared by the pore volume impregnation method. The intrinsic kinetics for this catalyst was first measured in the absence of internal and external diffusions in a fixed-bed microreactor. Then, five intrinsic kinetic models, i.e. the Eley-Rideal model, the Langmuir―Hinshelwood model, the Mars-van Krevelen model, the first-order model, and the power-rate law model, were applied to correlate the experimental data. Among them, the Eley-Rideal model is the most accurate, and the Langmuir-Hinshelwood model is unfeasible for describing SCR of NO by NH3 over the V2O5/AC catalyst. Therefore, the SCR of NO with NH3 over V2O5/AC is likely to Follow the Eley-Rideal mechanism in light ofintrinsic kinetic measurements. Finally, the kinetic equations were incorporated into a 3D mathematical model for monolithic honeycomb reactor, and it was found that the Eley-Rideal model is more suitable and can provide useful information for future application in the actual industrial plants.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128658

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5352-5359

Titre :	Thermochemical treatment (Thermolysis) of petrochemical wastewater : COD removal mechanism and floc formation
Type de document :	texte imprimé
Auteurs :	Shilpi Verma, Auteur ; Basheshwar Prasad, Auteur ; Indra Mani Mishra, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5352-5359
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Chemical oxygen demand Waste water Petrochemical industry Pyrolysis Thermochemical treatment
Résumé :	Thermo-chemical precipitation (thermolysis) has been used as a pretreatment method for COD and color reduction from various industrial effluents. This paper reports on the COD reduction from purified terephthalic acid (PTA) wastewater from a petrochemical plant using thermolysis. CuSO4, FeCl3, and FeSO4 were used as chemicals/coagulants for COD reduction. The effect of treatment time, temperature, pH, and chemical dosage on the removal of COD has been studied. FeCl3 was found to be the most effective chemical agent which removed 77.2% COD (from initial COD of 3320 to 765.9 mg/L) at optimum treatment conditions (pH 7, dosage 3 kg/m3 (0.018M), temperature 50 °C, and treatment time 20 min). Temperature played an important role in COD removal. Zeta potential studies depict the change in net surface charge of the particles in all the systems. In the case of CUSO4·5H2O, floc size distribution (number density) shows that bigger flocs were formed at higher temperatures. With iron salts, a decrease in floc size was observed with an increase in temperature.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128657

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5346-5351

Titre :	Characterization of bayer hydrotalcites formed from bauxite refinery residue liquor
Type de document :	texte imprimé
Auteurs :	Sara J. Palmer, Auteur ; Ray L. Frost, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5346-5351
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Refinery
Résumé :	The precipitate formed during the seawater neutralization (SWN) of Bayer liquors has been characterized by a variety of techniques, including X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX), inductively coupled plasma―optical emission spectroscopy (ICP-OES), infrared and Raman spectroscopy, and thermal analysis. Three mineralogical phases are detected: (I) hydrotalcite, (2) calcite (CaCO3), and (3) aragonite (CaCO3). It is proposed that two hydrotalcite structures form and have the formulas Mg8Al2(OH)12(CO32―,SO42―)·xH2O and Mg6Al2(OH)16(CO32―,SO42―)·xH2O. The Mg, Al molar ratio of the Bayer hydrotalcite is dependent on both the pH and the composition of the initial Bayer liquor. It is proposed that carbonate and sulfate ions are intercalated predominantly into the hydrotalcite interlayer; however, small amounts of arsenate, vanadate, and molybdate have been shown to be removed from solution. The formation of Bayer hydrotalcite assists in the removal of oxy-anions of transition metals from bauxite refinery residues, through a combination of intercalation and adsorption reactions involving the newly formed hydrotalcite. Infrared and Raman spectroscopy also confirmed the presence of hydrotalcite, calcite, and aragonite, showing characteristic wavenumbers of hydroxyl stretching modes for hydrotalcite, and antisymmetric stretching modes of carbonate for the calcium carbonate minerals. ICP-OES also confirmed the removal of oxy-anions from Bayer liquors.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128656

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5334-5345

Titre :	Adsorption of pentachlorophenol from aqueous solution on dodecylbenzenesulfonate modified nickel−titanium layered double hydroxide nanocomposites
Type de document :	texte imprimé
Auteurs :	Zhiyue Gao, Auteur ; Bing Du, Auteur ; Guoyan Zhang, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5334-5345
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Nanocomposite Aqueous solution Adsorption
Résumé :	Dodecylbenzenesulfonate (DBS) modified NiRTi layered double hydroxides (LDHs) with different Ni/Ti molar ratios were prepared as hydrophobic organics sorbent by one-step co-precipitation method. The basal spacing of DBS―NiRTi (d003 = 2.99―3.54 nm) is significantly increased compared with cyanate-intecalated Ni5Ti―LDH (0.73 nm) due to the intercalation ofsurfactant anions between the LDH layers. The greatly enhanced contact angle (123.5―144.2°) for water and the reduced surface area (1.72—3.25 m2/g) of DBS―NiRTi nanocomposites demonstrate their strong hydrophobic property. The highest sorption capacity for pentachlorophenol (PCP) of DBS―Ni5Ti among all samples is intimately related to its stacking model of the interlayer hydrophobic moiety and organic carbon content. The linear model well-fits for PCP sorption isotherms on DBS―NiRTi (R2 > 0.96), implying a partitioning sorption process. Along with the effect of medium pH and temperature on PCP sorption-desorption study on DBS―Ni5Ti, an adsolubilization mechanism, an exothermic sorption nature, and a significant hysteresis phenomenon during sorption―desorption process are revealed.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128655

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5326-5333

Titre :	Production of reactive oxygen species by photoactive anthraquinone compounds and their applications in wastewater treatment
Type de document :	texte imprimé
Auteurs :	Ning Liu, Auteur ; Gang Sun, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5326-5333
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Waste water purification Production
Résumé :	2-Anthraquinone sulfonate (2-AQS) was found to exhibit an abnormally high singlet-oxygen quantum yield in aqueous solution after UVA irradiation based on a widely used testing method for singlet oxygen. To discover the cause of the abnormal results, several possible reactive oxygen species were also measured in the system. Results revealed that 2-AQS and two other similar compounds produced singlet oxygen, hydroxyl radicals, and superoxide, so-called reactive oxygen species (ROS), under UVA exposure. The production of hydroxyl radical contributed to the abnormally high quantum yield. Quantifications of the ROS produced by these compounds were conducted by oxidation ofp-nitrosodimethylaninline in the presence and absence of either L-histidine or superoxide dismutase. EPR results also confirmed the formation of singlet oxygen by these compounds under UVA irradiation. The influence of different exposure times on the formation of ROS was measured for all three photosensitive compounds. The effects of different additives on the production of ROS were also investigated. The results showed that some compounds traditionally known as "hydroxyl radical scavengers" instead served as hydroxyl radical "generation promoters" under UVA exposure in the system. Moreover, for the first time, these photosensitive compounds were used to degrade a textile colorant, namely, Reactive Black 5, achieving the total decoloration of this compound within 10 min.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128654

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5316–5325

Titre :	Composition analysis of CO2−NH3−H2O system based on raman spectra
Type de document :	texte imprimé
Auteurs :	Qing Zhao, Auteur ; Shujuan Wang, Auteur ; Feng Qin, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5316–5325
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Raman spectroscopy
Résumé :	We used Raman spectroscopy to systematically and comprehensively measure the concentrations of the main ion components (NH2COO−, HCO3−, and CO32−) in the CO2−NH3−H2O system for an initial total ammonia concentration [A] = 0.69, 0.88, 1.09, 1.34, 1.60, and 2.10 mol·L−1 and CO2 loading [C]/[A] = 0.18, 0.35, 0.43, 0.50, and 0.67, respectively. The experimental data were processed using two existing theoretical methods, and the analysis on results allowed us to propose a number of improvements based on these theoretical methods. Experimental results show that upon increasing [C]/[A], the ratios of [NH2COO−] and [CO32−] to total carbon decrease linearly, whereas the ratio of [HCO3−] to total carbon increases linearly. The reaction process can be divided into three steps. Considering the impacts of experiment errors, [A] has little effect on the relative composition of the system in the range we studied. Results calculated with a revised theoretical method are in better agreement with the experimental data.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1010178

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5307-5315

Titre :	Hydrometallurgical treatment for valuable metals recovery from spent CoMo/Al2O3 catalyst. 2. oxidative leaching of an unroasted catalyst using H2O2
Type de document :	texte imprimé
Auteurs :	Vincent Ruiz, Auteur ; Eric Meux, Auteur ; Michel Schneider, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5307-5315
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Hydrogen peroxide Lixiviation Oxidation Catalyst
Résumé :	This study deals with the feasibility of the oxidative leaching of molybdenum and cobalt sulphides contained in a spent hydrodesulphurisation catalyst using H2O2 in acidic medium. The study was first carried out with MoS2 in order to define the important parameters of the leaching procedure and then applied to an unroasted CoMo/Al2O spent catalyst containing 11 wt % of Mo and 2.7 wt % of Co. In both cases, a 23 factorial design was used. The results obtained with MoS2 highlighted the necessity to limit the increase in temperature of the medium to minimize the decomposition of H2O2 and the necessity to keep pH constant to avoid an important acidification of the medium which could cause dissolution of alumina matrix when leaching will be applied to spent catalysts. The oxidative leaching of the unroasted CoMo/Al2O3 spent catalyst was performed without previous grinding. In a single-step, at pH = 1.3 with a stoichiometric factor equal to 2.4, an L/S ratio equal to 7.5, and an H2O2 concentration of 3.75 mol·L―1, it was possible to recover molybdenum and cobalt simultaneously with leaching yields of 90% and 83%, respectively, without dissolving more than 8% Al. In these conditions, the maximal temperature recorded during the experiment was about 60 °C.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128652

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5295–5306

Titre :	Hydrometallurgical treatment for valuable Metals recovery from spent CoMo/Al2O3 catalyst. 1. improvement of soda leaching of an industrially roasted catalyst
Type de document :	texte imprimé
Auteurs :	Vincent Ruiz, Auteur ; Eric Meux, Auteur ; Sebastien Diliberto, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5295–5306
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Metal Catalyst
Résumé :	This paper describes the recovery of molybdenum from a spent CoMo/Al2O3 by soda leaching after a roasting step. First, the leaching was performed on a catalyst industrially roasted at 800 °C during 20 min. In order to reach a molybdenum leaching yield higher than 85%, the process was optimized using a 23 design of experiments with parameters such as NaOH amount, leaching time, and temperature. Unfortunately, in the best leaching conditions defined by the factorial design, the leaching yield of molybdenum never exceeded 60% because of an incomplete roasting of the catalyst proved by the X-ray diffraction (XRD) and scanning electron microscopy (SEM) analysis of the residue. In a second part, the roasting was investigated on an unroasted catalyst containing 23.9% Al, 11% Mo, 2.9% Co, 7.9% S, and 6.3% C using a central composite design. By changing the thermal treatment conditions (700 °C, 20 min) and performing the best soda leaching conditions (an amount of sodium hydroxide equal to the twice of the required stoichiometry and a leaching time of 4 h at 60 °C), it was possible to extract more than 90% of molybdenum initially present in the catalyst.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102414d

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5279–5294

Titre :	An overview of the liquid−liquid equilibria of (ionic liquid + hydrocarbon) binary systems and their modeling by the conductor-like screening model for real solvents
Type de document :	texte imprimé
Auteurs :	Ana R. Ferreira, Auteur ; Mara G. Freire, Auteur ; Jorge C. Ribeiro, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5279–5294
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Liquid−Liquid equilibria Hydrocarbon
Résumé :	Ionic liquids (ILs), with their unique and tunable properties, are attracting the interest of both academia and refining companies as potential solvents for the extraction of specific compounds from hydrocarbons’ streams. For such a purpose, the knowledge of the mutual solubilities between ionic liquids and hydrocarbons is required. Experimental measurements for all these systems are impracticable due to the large number of possible combinations of ionic liquids and hydrocarbons. Thus, a deeper understanding of the interactions taking place, and ruling the phase behavior, and the development of predictive models are essential issues to forecast a general picture of the liquid−liquid equilibria (LLE) between ionic liquids and hydrocarbons. In this work an overview of the mutual solubilities between ionic liquids and hydrocarbons is presented. A review of the experimental data available is reported, and the effect of various structural features of both the ionic liquids and the hydrocarbons through their mutual solubilities behavior is discussed. The capability of the Conductor-like Screening Model for Real Solvents (COSMO-RS) to predict the LLE of (IL + hydrocarbon) binary systems is further evaluated. More than 150 binary systems were investigated. It is shown that COSMO-RS allows a semiquantitative description of the LLE experimental data for the systems studied. Moreover, COSMO-RS majorly provides a correct qualitative trend of the phase behavior dependence of the ionic liquids and molecular compounds. Therefore, COSMO-RS can be a useful predictive tool with great potential in the screening of ionic liquids for specific extraction applications.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102471b

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5266-5278

Titre :	The cascade optimization algorithm : a new distributed approach for the stochastic optimization of engineering applications
Type de document :	texte imprimé
Auteurs :	Antonis C. Kokossis, Auteur ; Patrick Linke, Auteur ; Siyu Yang, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5266-5278
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Algorithm Optimization
Résumé :	This paper introduces a new stochastic optimization approach in the form of a cascade optimization algorithm. The algorithm incorporates concepts from Markov processes while eliminating the inherent sequential nature that is a major obstacle preventing the exploitation of advances in distributed computing infrastructures. This method introduces partitions and pools to store intermediate solutions and corresponding objectives. A Markov process increases the population of partitions and pools. The population is distributed periodically, following an external certainty. With the use of partitions and pools, multiple Markov processes can be launched simultaneously for different partitions and pools. The cascade optimization algorithm holds a potential in two different fronts. One aims at its deployment in parallel and distributed computing environments. Through storage of solutions in the pools, the algorithm further offers cost-effective means to analyze intermediate solutions, visualize progress, and integrate optimization with data and/or knowledge management techniques without additional burden to the process.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128649

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5253–5265

Titre :	Computer-aided modeling framework for efficient model development, analysis, and identification : combustion andrReactor modeling
Type de document :	texte imprimé
Auteurs :	Martina Heitzig, Auteur ; Gurkan Sin, Auteur ; Mauricio Sales-Cruz, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5253–5265
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Process model development analysis identification
Résumé :	Model-based computer aided product-process engineering has attained increased importance in a number of industries, including pharmaceuticals, petrochemicals, fine chemicals, polymers, biotechnology, food, energy, and water. This trend is set to continue due to the substantial benefits computer-aided methods introduce. The key prerequisite of computer-aided product-process engineering is however the availability of models of different types, forms, and application modes. The development of the models required for the systems under investigation tends to be a challenging and time-consuming task involving numerous steps, expert skills, and different modeling tools. This paper introduces a generic methodology that structures the process of model development, analysis, identification, and application by providing the modeler with the work-flow that needs to be followed in a systematic manner. The methodology has been implemented into a computer-aided modeling framework, which combines expert skills, tools, and database connections that are required for the different steps of the model development work-flow with the goal to increase the efficiency of the modeling process. The framework has two main branches; the first branch deals with single-scale model development while the second branch introduces features for multiscale model development to the methodology. In this paper, the emphasis is on single-scale model development and application part. The modeling framework and the supported stepwise model development is highlighted through a case study related to air pollution control, namely, the thermal treatment of the off-gas stream in adipic acid production in order to reduce its N2O content.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101393q

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5248-5252

Titre :	Reconciliation of flow rate measurements in the presence of solid particles
Type de document :	texte imprimé
Auteurs :	Andrea P. Reverberi, Auteur ; Cristiano Cerrato, Auteur ; Vincenzo G. Dovi, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5248-5252
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Solid particle
Résumé :	The reconciliation of flow rates of fluids entraining and reacting with solid particles is considered in this article. It is shown that, in case the amount of solid particles is not high, the reconciliation problem can be addressed formally as a rectification that includes additional components and solved using the techniques proposed by earlier research [Crowe, C. M., Garcia Camps, Y. A, Hrymak, A. AlChE J. 1983, 29, 881―888]. Furthermore, it is shown that the introduction of the interaction law between the fluid and the solid phase can improve the overall reliability of the reconciliation procedure.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128647

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5239–5247

Titre :	Microcellular foaming of layered double hydroxide−polymer nanocomposites
Type de document :	texte imprimé
Auteurs :	Antonio B. Martinez, Auteur ; Vera Realinho, Auteur ; Marcelo Antunes, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5239–5247
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Nanocomposites Microcellular
Résumé :	Microcellular foams of polystyrene (PS), poly(styrene-co-acrylonitrile) (SAN), and poly(methyl methacrylate) (PMMA) having organically modified layered double hydroxides (LDH) were prepared using a high-pressure CO2 dissolution foaming process and characterized both structurally and thermo-mechanically. The saturation concentration of CO2 was found to increase with the incorporation of LDH nanoparticles into the PMMA, while the opposite effect was observed in the PS and SAN nanocomposites with respect to the pure polymers. The CO2 desorption diffusion coefficient substantially decreased in the nanocomposites comparatively to the respective pure polymers. The incorporation of hydrotalcite (HT) into the polymers and subsequent foaming resulted in foams with finer and more isotropic cellular structures, related to a cell nucleation effect promoted by the particles. No significant differences were found among the several foamed nanocomposites. Both PS and SAN nanocomposite foams displayed higher glass transition temperatures than the respective unfilled ones, related to a higher amount of residual CO2 in the last, favoring plasticization. The contrary effect was observed in PMMA, attributed to a combined plasticizing effect promoted by the higher affinity of PMMA for CO2 and greater interaction with the organically modified HT platelets. Although no significant differences were found among the several nanocomposite foams and respective unfilled counterparts, the incorporation of HT limited the reduction observed in the specific storage moduli with foaming, related to a finer cellular structure induced by the HT particles.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101375f

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5225–5238

Titre :	A Spatial branch-and-bound framework for the global optimization of kinetic models of metabolic networks
Type de document :	texte imprimé
Auteurs :	C. Pozo, Auteur ; G. Guillen-Gosalbez, Auteur ; A. Sorribas, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5225–5238
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization Metabolic networks
Résumé :	The identification of the enzymatic profile that achieves a maximal production rate of a given metabolite is an important problem in the biotechnological industry, especially if there is a limit on the number of enzymatic modulations allowed. The intrinsic nonlinear behavior of metabolic processes enforces the use of kinetic models, such as the generalized mass action (GMA) models, giving rise to nonconvex MINLP formulations with multiple local solutions. In this paper, we introduce a customized spatial branch-and-bound strategy devised to solve efficiently these particular problems to global optimality. A tight MILP-based relaxation of the original nonconvex MINLP is constructed by means of supporting hyperplanes and piecewise linear underestimators. The overall solution procedure is expedited through the use of bound tightening techniques and a special type of cutting plane. The capabilities of the proposed strategy are tested through its application to the maximization of the citric acid production in Aspergillus niger. We also provide a numerical comparison of our algorithm with the commercial package BARON and an outer approximation-based method earlier proposed by the authors.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101368k

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5218–5224

Titre :	DNA coiled coil superstructures in oligonucleotide crystals
Type de document :	texte imprimé
Auteurs :	Daniela De Luchi, Auteur ; Lourdes Urpi, Auteur ; Juan A. Subirana, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5218–5224
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Crystals Oligonucleotide
Résumé :	We present the structure of coiled coils found in two oligonucleotide DNA crystals. The sequences d(ATATATATAT) and d(CGATATATAT) are used. In the first case several coiled coils with different structures are found. In the second case a single structure is present. The results are compared with other coiled coil structures. They might be used in the development of new nanomaterials.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101328m

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5204–5217

Titre :	Optimization of heterogeneous batch extractive distillation
Type de document :	texte imprimé
Auteurs :	Alien Arias Barreto, Auteur ; Ivonne Rodriguez-Donis, Auteur ; Vincent Gerbaud, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5204–5217
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization
Résumé :	Heterogeneous extractive batch distillation of the chloroform−methanol minimum-boiling-temperature azeotropic mixture is studied with water as a heterogeneous entrainer. The continuous feeding of water allows recovery of 99 mol % chloroform after condensation of the saddle binary heteroazeotrope water−chloroform. Unlike a homogeneous process, the reflux composition is different from the heteroazeotrope water−chloroform in the vapor overhead. Besides, the distillate recovery is improved by refluxing a portion α of the chloroform-rich distillate phase along with the water-rich entrainer phase. A genetic algorithm is coupled to a constant molar overflow model to study seven operation policies. Optimization parameters are the entrainer flow rate FE/V, the portion αT3 of the distillate-rich phase refluxed to the column during chloroform distillation, and the reflux policy RT5 during methanol distillation. The optimization maximizes a profit function, penalized with recovery yield constraints, whereas purity targets are used as task ending events. All optimized solutions achieve higher than 90 mol % recovery yields and 99 mol % purity for both products chloroform and methanol. The results are confirmed by rigorous simulation showing the good performance of coupling a simplified model and a genetic algorithm as a first approach. The two-piece-wise parameter value operation policies for all three parameters increase profit by 41.8% and reduce total time by 43.8% compared to the single value parameter policy. The parameter influence study ranks RT5 first, αT3 second, and FE/V last. Keeping FE/V constant and using the two-piece-wise αT3 and RT5 value operation is recommended to increase profit.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101965f

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp.5191-5203

Titre :	Multi-paradigm modeling of the effects of PHEV adoption on electric utility usage levels and emissions
Type de document :	texte imprimé
Auteurs :	Bri - Mathias Hodge, Auteur ; Aviral Shukla, Auteur ; Shisheng Huang, Auteur
Année de publication :	2011
Article en page(s) :	pp.5191-5203
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Multiparadigm model
Résumé :	Plug-in hybrid electric vehicles (PHEVs) are a transportation technology on the cusp of introduction that has the potential to couple the transportation and electricity energy systems. A multiparadigm model of the electricity and transportation systems of Alexandria, Virginia has been developed in order to examine the effects of PHEV introduction. This model combines detailed subsector models of the transportation, household electricity demand, and electricity supply sectors. The effects of PHEV adoption on the electricity supply sector have been explored through an examination of the changes in both total electricity usage and peak electricity demand that could be expected. Additionally, the differences in emissions of carbon dioxide, nitrous oxides, and sulfur dioxide between conventional vehicles and PHEVs charged under varying electricity supply mixtures has been quantified. The results indicate that the charging pattern of the vehicles used can significantly alter the effects on the system as a whole.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101837w

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5175-5190

Titre :	Optimal synthesis of a high purity bioethanol distillation column using ionic liquids
Type de document :	texte imprimé
Auteurs :	Luz María Chávez-Islas, Auteur ; Ruben Vasquez-Medrano, Auteur ; Antonio Flores-Tlacuahuac, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5175-5190
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Ionic liquid Distillation column High purity Optimal design
Résumé :	In this work, we address the optimal economical synthesis of an extractive distillation column for bioethanol purification, using ionic liquids as a type of solvent that can be designed to feature sustainable characteristics, such as low toxicity and low volatility, among other desirable properties. For the optimal synthesis of the separation scheme, we propose a mixed-integer nonlinear programming (MINLP) formulation, merged with disjunctive programming tools, to take care of modeling logical decisions [Yeomans and Grossmann, Ind. Eng. Chem. Res. 2000, 39, 1637―1648]. In a previous work [Chavez-Islas et al., submitted to Ind. Eng. Chem. Res.], we have addressed the design of a novel ionic liquid to separate the ethanol/water azeotropic system, up to high purities. The MLNLP synthesis of the distillation column considers the feed tray location, the number of trays, and the operating and design parameters as decision variables. Because the ionic liquid used in this work is a novel solvent, its physical and thermodynamic properties are yet not available. Therefore, the physical properties of the ionic liquid are estimated using group contribution methods. The MINLP formulation is based on the application of the MESH equations for conditional trays, to reduce the size of the nonlinear subproblems and increase the robustness of the optimization formulation. The MINLP problem was solved using the SBB solver embedded in GAMS. Using the proposed MINLP formulation, we attained ethanol purities as good as 99.9 mol %, and 90% of the ethanol presented in the feed stream was recovered.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128641

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5169-5174

Titre :	Combinatorial algorithms of the S-graph framework for batch scheduling
Type de document :	texte imprimé
Auteurs :	Maté Hegyhati, Auteur ; Ferenc Friedler, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5169-5174
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Scheduling Batchwise Algorithm
Résumé :	Methods for solving batch process scheduling problems have gone through a vast development in the last 2 decades. Most of the published approaches are based on a mixed integer programming formulation. Since the difficulty of scheduling is originated from its combinatorial nature, graphs and combinatorial algorithms are more adequate to represent and solve the problem. Although, combinatorial algorithms and data structures have an enormous literature, these algorithms can not be directly applied to scheduling and further elaboration is needed. In the present work, the combinatorial nature of batch scheduling problems is analyzed. Several combinatorial algorithms are listed that can be considered for the scheduling of batch processes. Their proper adaptation is illustrated via the S-graph framework, in which the main emphasis lies on the combinatorial tools. Furthermore, Place Petri Nets and Timed Automata are also briefly described. An S-graph algorithm has been extensively compared with well-known MILP formulations.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128640

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5153-5168

Titre :	Optimal molecular design of ionic liquids for high-purity bioethanol production
Type de document :	texte imprimé
Auteurs :	Luz María Chávez-Islas, Auteur ; Ruben Vasquez-Medrano, Auteur ; Antonio Flores-Tlacuahuac, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5153-5168
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Production High purity Ionic liquid Design
Résumé :	A mixed-integer nonlinear programming (MINLP) formulation for the molecular design optimization of ionic liquids (ILs) to recuperate ethanol with a purity of 99 mol % or greater from a E85 system (a mixture containing 85 and 15 mol% of ethanol and water, respectively) is presented. The reason why the ethanol/water separation is difficult is because of the azeotropic behavior of this system. Therefore, the IL is designed to feature water affinity such that it can break the ethanol/water azeotrope, allowing the high-purity separation to take place. The MINLP formulation is based on the development of a superstructure that contains a set of cations and anions, whose combination forms different kinds of ILs that have the potential to separate azeotropic systems such as the ethanol/water system. Because most of the ILs to be optimally designed are novel solvents, their physical and thermodynamic properties are estimated by group contribution methods. The optimization formulation is composed of a set of constraints featuring vapor―liquid equilibrium conditions as well as constraints dealing with structural and allowed cation-anion combinations. We assume that the separation will take place at atmospheric pressure. For the sake of simplicity, the optimal IL is first synthesized in a single separation stage, although the separation was also addressed using a reboiled absorption column. The results indicate that the optimally designed IL is capable of performing the required separation meeting the high-purity ethanol constraint.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128639

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5131–5152

Titre :	An intuitive and efficient approach to process scheduling with sequence-dependent changeovers using timed automata models
Type de document :	texte imprimé
Auteurs :	Subanatarajan Subbiah, Auteur ; Christian Schoppmeyer, Auteur ; Sebastian Engell, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5131–5152
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Modeling Scheduling
Résumé :	In the process industries where multiple products have to be produced in the batch mode, the optimal assignment of the operations to the available resources and their sequencing can contribute considerably to economic success. Among the several methods proposed to model and solve batch scheduling problems, techniques based on a reachability analysis of timed automata (TA) models have gained attention recently. The appeal of the approach is the modular, intuitive, and straightforward graphical modeling of complex scheduling problems, and an efficient solution technique based upon reachability algorithms. In this contribution, we present an introduction to the TA-based approach to scheduling and specifically address the problem of batch scheduling with sequence-dependent setup and changeover times. In the TA-based approach, the resources, recipes, and additional timing constraints are modeled independently as sets of (priced) timed automata. The sets of individual automata are synchronized by means of synchronization labels and are composed by parallel composition to form a global automaton. A cost-optimal symbolic reachability analysis is performed on the composed automaton to derive schedules with the objective of minimizing makespan. The TA models of the recipes are extended here to include setup times as well as sequence-dependent changeovers. The performance of the approach to model and to solve real-world scheduling problems with sequence-dependent changeovers is demonstrated for two different case studies. A comparative study on the TA-based approach with various MILP formulations is performed on a famous case study from the literature, and the results are discussed.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128638

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5114–5130

Titre :	Pharmacokinetic based design of individualized dosage regimens using a bayesian approach
Type de document :	texte imprimé
Auteurs :	José Miguel Lainez, Auteur ; Gary Blau, Auteur ; Linas Mockus, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5114–5130
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Pharmacokinetic
Résumé :	Clinical trials and health care studies generate an enormous amount of data. This data is used by pharmaceutical companies during new drug development processes to characterize patient populations and determine a standardized dosage regimen for new patients, make commercial decisions, and gain approval from regulatory agencies. Nevertheless, the knowledge embedded in such data is rarely further exploited for customized patient care. In most cases, there is a significant difference between the pharmacokinetic profile of patients in a population, yet these differences are not reflected in the standardized dosage regimen. Here, a Bayesian methodology is proposed to individualize dosage regimens by combining the pharmacokinetic data collected from a patient population during clinical trials and additional data coming from a minimal number of serum samples from the new patient. In the Bayesian sense, the distribution of pharmacokinetic parameters from the population data is treated as prior information, and the posterior patient specific distribution of pharmacokinetic parameters is calculated. Then, such a posterior distribution is used to obtain dosage regimens that result in drug concentrations that are kept within the therapeutic window at a target confidence level for that patient. Moreover, a methodology is presented to suggest the sampling schedule for new patients so as to reduce the number of samples required to obtain well characterized individual pharmacometric parameters. Available pharmacokinetic data for Gabapentin, a therapeutic agent for epilepsy and neuropathic pain, is used to illustrate the concepts underlying the proposed strategy and the benefits of an individualized regimen over a standardized dosage regimen.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101610r

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5099-5113

Titre :	Optimal design and operation of static energy polygeneration systems
Type de document :	texte imprimé
Auteurs :	Yang Chen, Auteur ; Thomas A. Adams, Auteur ; Paul I. Barton, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5099-5113
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimal design
Résumé :	The optimal design and operation of static polygeneration systems using coal and biomass to coproduce power, liquid fuels and chemicals is studied under different economic and policy scenarios. A mathematical model including material and energy balances, capital cost estimations, and economic analyses is proposed. Optimal product portfolios are obtained under different product price scenarios. The influence of different carbon tax policies on the optimal production strategy, such as the implementation of carbon capture and sequestration (CCS) or biomass usage, is also discussed.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128636

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5086-5098

Titre :	Negotiation-based approach for order acceptance in a multiplant specialty chemical manufacturing enterprise
Type de document :	texte imprimé
Auteurs :	Behzad Behdani, Auteur ; Arief Adhitya, Auteur ; Zofia Lukszo, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5086-5098
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Manufacturing
Résumé :	Order acceptance under uncertainty is a challenging problem in supply chain management, especially in make-to-order plants, such as in a specialty chemical manufacturing enterprise. In this work, we consider the effect of rush orders and design a negotiation-based policy for order acceptance. Rush orders pose a complex challenge primarily because the different actors involved (customer and enterprise) have different interests and asymmetric information. In addition, the interaction involves uncertainties both in the short- and long-term. To capture the rich complexity of the problem and provide a conceptual basis for developing agent-based models for such negotiation situation, this paper presents a general framework for negotiation and illustrates it using the customer-enterprise rush order due date negotiation case. On the basis of this framework, an agent-based model is developed. Various experiments are conducted to evaluate the effect of due date negotiation on profit and long-term customer behivior.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128635

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5064–5085

Titre :	A rigorous mathematical formulation for the scheduling of tree-structure pipeline networks
Type de document :	texte imprimé
Auteurs :	Diego C. Cafaro, Auteur ; Jaime Cerdá, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5064–5085
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Pipeline Networks
Résumé :	Pipeline networks are the dominant mode of conveying a wide variety of oil refined products from refineries to distribution terminals. Pipeline infrastructure usually comprises trunk lines serving high-volume, long-haul transportation requirements, and delivering lines moving smaller volumes over shorter distances. Lots of products are mostly sent through trunk lines to bulk terminals, while some portions are branched to delivering lines and supplied to nearby market areas. This work presents a novel continuous-time mixed-integer linear (MILP) formulation for the short-term operational planning of tree-structure pipeline systems. The problem goal is to find the optimal schedule of pumping and delivery operations to satisfy all terminal requirements at minimum operating cost. To this end, model constraints strictly monitor the branching of batches and the creation of new interfaces in delivering lines to avoid forbidden sequences and determine additional reprocessing costs. By allowing the transfer of multiple products to delivering lines during a batch injection, longer runs can be executed, and fewer ones are needed to find the optimal solution. The new approach has been successfully applied to three examples, one of them involving a real-world pipeline network. As compared to previous contributions, significant improvements in both solution quality and CPU time have been obtained.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101462k

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5050-5063

Titre :	Robust implementation of optimal decisions using a two-layer chance-constrained approach
Type de document :	texte imprimé
Auteurs :	Tilman Barz, Auteur ; Günter Wozny, Auteur ; Harvey Arellano-Garcia, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5050-5063
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization
Résumé :	In this work, the implementation of optimal and robust decisions in the presence of various uncertainties comprising model parameters, external conditions, and the closed loop behavior of basic controllers is presented. In order to compute the optimal and reliable decisions, a chance-constrained optimization problem is formulated. The efhcient solution approach is based on the relaxation of the original stochastic optimization problem formulation to a standard nonlinear programming problem. By this means, nominal optimal solutions and operating points are regularly adapted in order to guarantee both feasibility and process operation as close as possible to the nominal optimum. The solution implies the minimization of additional costs, which come from conservative strategies that compensate for uncertainty. The experimental verification of the developed approach is carried out on a high-pressure distillation pilot plant for the separation of an azeotropic mixture.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1014525

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5041-5049

Titre :	On-line scheduling and control of a mixed continuous—batch plant
Type de document :	texte imprimé
Auteurs :	Cesar de Prada, Auteur ; Miguel Rodríguez, Auteur ; Daniel Sarabia, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5041-5049
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Batchwise Scheduling On line
Résumé :	This paper deals with the overall operation of a chemical process where continuous and batch units operate jointly. The paper describes a plantwide model predictive controller (MPC) taking into account both continuous manipulated and controlled variables, as well as the ones related to the scheduling of the batch units. The MPC is formulated in a way that avoids the use of integer variables, so that a NLP (nonlinear programming) optimization technique can be applied. Results of the controller operation in simulation are provided.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128632

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5023-5040

Titre :	Computational study of network-based mixed-integer programming approaches for chemical production scheduling
Type de document :	texte imprimé
Auteurs :	Arul Sundaramoorthy, Auteur ; Christos T. Maravelias, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5023-5040
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Mathematical programming Scheduling Production Mixed integer programming
Résumé :	The goal of this paper is to discuss the modeling aspects and study the computational performance of scheduling approaches for batch process networks that are based on discrete-time and continuous-time representations. First, we compare the above two modeling approaches in terms of formulation size and modeling capabilities; we brietly review their main characteristics and outline their advantages and disadvantages. Second, we perform an extensive computational comparison between the two methods using a collection of more than 100 problem instances and 800 optimization runs covering five different process networks, various objective functions, different scheduling horizons, and a wide range of features (fixed and variable processing times, utilities, holding and backlog costs, intermediate shipments, and setups). We show that the computational requirements of discrete-time models increase moderately with the incorporation of these additional features, something that cannot be said for continuous-time models. We close with a number of conclusions that we believe will lead to fruitful discussions in the area and foster further development of modeling and solution methods for chemical production scheduling problems.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128631

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5005–5022

Titre :	Supply chains planning with reverse flows : optimal alternative time formulations
Type de document :	texte imprimé
Auteurs :	Ana C. S. Amaro, Auteur ; Ana P. F. D. Barbosa-Povoa, Auteur
Année de publication :	2011
Article en page(s) :	pp. 5005–5022
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimal planning
Résumé :	In this paper the optimal planning of supply chains is studied. Two alternative formulations are developed to model the supply chain optimal planning: a discrete and a continuous-time formulation. The former considers the uniform split of the planning horizon into equal time intervals while the continuous-time counterpart involves the definition of a set of time slots, of unknown duration. Each slot dimension is optimized simultaneously with the planning events. Both approaches account explicitly for the integration of topological, operational, and market supply demand constraints and requirements. The supply of final products (forward flows) and the return of nonconform products (reverse flows) are simultaneously coordinated at the planning level of the supply chain optimization. The proposed formulations result into mixed integer linear programming (MILP’s) models. A detailed plan is obtained for each formulation approach, which improves the supply chain operability by exploiting general resource capacities (e.g., transforming, storage, and transportation) and resource sharing policies based on the suitability of equipment/tasks, economical perfoptimal planningormances, and operational conditions. The applicability of the proposed formulations is illustrated through the solution of an industry-oriented case study.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101416q

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4993-5004

Titre :	Embedded control for optimizing flexible dynamic process performance
Type de document :	texte imprimé
Auteurs :	Jeonghwa Moon, Auteur ; Seon Kim, Auteur ; Andreas A. Linninger, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4993-5004
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization
Résumé :	High-performance processes require a design that operates close to design boundaries and specifications, while still guaranteeing robust performance without design constraint violations. In order to safely approach tighter boundaries of process performance, much attention has been devoted to integrating design and control in which dynamic controllability, as well as the design decisions, are considered simultaneously. However, rigorous methods solving design and control simultaneously lead to challenging mathematical formulations that easily become intractable numerically and computationally. This paper introduces a new mathematical formulation to reduce this combinatorial complexity of integrating design and control. We will show that a substantial reduction in problem size can be achieved using embedded control decisions within specific designs. These embedded control decisions avoid a combinatorial explosion of control configuration, using a full state space model that does not require a pairing of control variables and loops. The current capabilities of the methodology will be demonstrated using a realistic reactor-column flowsheet.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128629

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4983-4992

Titre :	Improved short-term batch scheduling flexibility using variable recipes
Type de document :	texte imprimé
Auteurs :	Elisabet Capon-Garcia, Auteur ; Marta Moreno - Benito, Auteur ; Antonio Espuna, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4983-4992
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Flexibility Scheduling Batchwise Short term
Résumé :	Batch scheduling and control decision levels are usually optimized separately, even though integrated decisions would potentially increase the overall performance of the plant. This work aims at including in the scheduling problem the operating conditions related to the control function, which are traditionally optimized and fixed beforehand, to shed light to the benefits that may be obtained when using variable recipes in contrast to fixed nominal recipes. A multiproduct and a multipurpose plant illustrate the proposed approach. In both cases, the potential benefits are confirmed resuting in clear advantages regarding overall economic benefit, when the variable recipes are introduced. Thus, the presented approach gives rise to new tradeoffs, since it allows new improvement opportunities associated with quality, safety, or changing operating policies, which are usually considered separately.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128628

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4959-4982

Titre :	Multisite planning under demand and transportation time uncertainty : robust optimization and conditional value-at-risk frameworks
Type de document :	texte imprimé
Auteurs :	Peter M. Verderame, Auteur ; Christodoulos A. Floudas, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4959-4982
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization Uncertainty Planning
Résumé :	The operational planning of a multisite production and distribution network entails determining the daily production and shipment profiles for the supply chain under consideration. The generated profiles should provide a tight upper bound on the true production capacity of the supply chain to ensure the maximization of customer satisfaction along with the minimization of resource misallocation. With an operational planning time horizon of 1―3 months, it is also imperative to take into account pertinent parameter uncertainty, so that the production and shipment profiles are not only a tight upper bound on the supply chain's production capacity but also immune to the different forms of system uncertainty, such as demand due date, demand amomt, and transportation time uncertainty. These types of uncertainty have been explicitly considered by means of the robust optimization framework and conditional value-at-risk theory. An industrial case study has been undertaken to demonstrate the viability of the proposed multisite operational planning under uncertainty approaches.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128627

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4939-4958

Titre :	Multiobjective model for more sustainable fuel supply chains. a case study of the sugar cane industry in argentina
Type de document :	texte imprimé
Auteurs :	Fernando D. Mele, Auteur ; Andrew M. Kostin, Auteur ; Gonzalo Guillen-Gosalbez, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4939-4958
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Fuel Modeling
Résumé :	The objective of this work is to present a quantitative tool to support decision-making in the area of optimal design of supply chains (SC) for the combined production of sugar and ethanol. The problem is formulated as a multiobjective mixed-integer linear program that seeks to optimize simultaneously the economic and environmental performance of the production chain. The advantages of the approach presented are illustrated through its application to a case study, in which a trade-off exists between the economic and environmental performance of the network. Our method provides valuable insight into the problem and a guide to adopt more sustainable strategic alternatives in the design of SCs with embedded biorefineries.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128626

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4927-4938

Titre :	Optimization-based approaches for bioethanol supply chains
Type de document :	texte imprimé
Auteurs :	Ozlem Akgul, Auteur ; Andrea Zamboni, Auteur ; Fabrizio Bezzo, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4927-4938
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization
Résumé :	The E.U. has adopted a target of 10% of energy for transportation coming from renewable sources, including biofuels, by 2020 to tackle the increasing greenhouse gas emissions problem and reduce dependency on fossil fuels. In this paper, mixed integer linear programing (MILP) models are presented for the optimal design of a bioethanol supply chain with the objective of minimizing the total supply chain cost. The models aim to optimize the locations and scales of the bioethanol production plants, biomass and bioethanol flows between regions, and the number of transport units required for the transfer of these products between regions as well as for local delivery. The optimal bioethanol production and biomass cultivation rates are also determined by the model. The applicability of the proposed models is demonstrated with a case study for Northern Italy.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128625

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4915–4926

Titre :	Advances in energy systems engineering
Type de document :	texte imprimé
Auteurs :	Pei Liu, Auteur ; Georgiadis, Michael C., Auteur ; Efstratios N. Pistikopoulos, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4915–4926
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Energy systems
Résumé :	Huge and ever-increasing energy consumption and consequent greenhouse gas (GHG) emissions pose unprecedented challenges to the sustainable development of the international human society. Our existing energy systems, where primary energy is converted to all sorts of final energy services, remain the major contributor to these global energy and environmental challenges. It is becoming a consensus that the conventional energy conversion and utilization mode should make place for a more sustainable one with higher energy conversion efficiency, lower air pollutions and GHG emissions, less dependence on fossil fuels, and more utilization of renewable energy. However, although there exist many technical options and technology pathways to enable this transition, they are usually treated separately by their very own technical communities and political groups without coordination with others, and the overall effect and potential is therefore greatly constrained as compared to a systematic approach where all alternatives are taken into consideration in an integrated way. Energy systems engineering provides a methodological modeling and optimization framework to address the complex energy and environmental problems existed in design and operation of energy systems in an integrated manner. This methodological framework is generic, and it can help to produce optimal design and operational plans for energy systems ranging from nanoscale, microscale, mesoscale, to mega-scale levels over operating horizons from milliseconds to months and years. This Article first gives a brief overview of typical methodologies of energy systems engineering, comprising superstructure based modeling, mixed-integer linear and nonlinear programming, multiobjective optimization, optimization under uncertainty, and life-cycle assessment. The concept of energy systems engineering and these methodologies are further illustrated via their applications in some typical real-life energy systems of very different nature and scale, ranging from polygeneration energy systems, hydrogen infrastructure planning, energy systems in commercial buildings, and biofuel supply chains.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101383h

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4907-4914

Titre :	New paradigm for supporting life-cycle engineering
Type de document :	texte imprimé
Auteurs :	Naka Yuji, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4907-4914
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Life cycle (environment)
Résumé :	Existing engineering strategies have been developed for how to support lean production by considering product quality and safety protection design. Consequently, plant operations become sophisticated. In addition, social requirements such as safety regulations as well as new market demands force planets and/or their operations to be revamped so as to satisfy demands. There are few methodologies to support life-uycle engineering (LCE) as a whole. Therefore, we have proposed a concept to support LCE and relevant engineering environments at PSE-ESCAPE, Trondheim, in 1997 (Lu et al., 1997). This paper describes our engineering scope for supporting Plant Life-Cycle Engineering with safety-conscious production based on relationships of methodology development and the Engineering Activity Model (EAM) and reports some of our results.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128623

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4893–4906

Titre :	Large scale production planning in the stainless steel industry
Type de document :	texte imprimé
Auteurs :	Janne Karelahti, Auteur ; Pekka Vainiomaki, Auteur ; Tapio Westerlund, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4893–4906
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Stainless steel industry
Résumé :	We introduce a new formulation for a cutting stock problem in the stainless steel industry. The formulation extends some previous models developed for the paper industry. In this formulation, mother coils are assumed to have finite lengths, and the widths and lengths of the mother coils are considered variables as well as the lengths of the product coils along with the cutting patterns to be used. To enable reuse of scrap material, the trim loss at the end of a mother coil is preferred and collected into a single coil. Finally, the scattering of an order to multiple mother coils is minimized to facilitate the shipping of the order in a single batch. For numerical solution, the inherently nonlinear problem is transformed to a linear one by a decomposition technique. The procedure is illustrated with numerical examples. The presented model has been successfully utilized in large scale industrial environment as a part of the production planning system developed for Outokumpu Stainless by Accenture.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101376b

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp.4879-4892

Titre :	Stochastic modeling for uncertainty analysis and multiobjective optimization of IGCC system with single-stage coal gasification
Type de document :	texte imprimé
Auteurs :	Yogendra Shastri, Auteur ; Urmila Diwekar, Auteur
Année de publication :	2011
Article en page(s) :	pp.4879-4892
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Multiobjective optimization Gasification
Résumé :	Integrated Gasification Combined Cycle (IGCC) system using coal gasification is an important component of future energy alternatives. Consequently, understanding the system operation and optimizing it in the presence of uncertain operating conditions is important. Moreover, since gasification is the most important component of the system, it is particularly critical to understand the impact of uncertainty in gasification operation on the IGCC system. This article presents research conducted to achieve these objectives. The work initially focuses on developing a computational fluid dynamics (CFD) model for the single-stage coal gasifier, which is a part of the IGCC system. The impact of varying coal composition on the gasifier operations is determined from the CFD simulations. The stochastic CFD simulation results are then compared with those for an approximate gasifier model developed in ASPEN Plus as a part of the IGCC model to characterize and quantify the gasifier operation uncertainty. The CAPE-OPEN compliant stochastic simulation capability is also used to perform deterministic and stochastic multiobjective optimization of the IGCC system. This is based on the Parameter Space Investigation (PSI) method of multiobjective optimization useful for nonconvex nonlinear surface. Stochastic modeling is also useful for identifying important decision variables for such surfaces using Partial Rank Correlation Coefficients (PRCC).
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://www.mendeley.com/research/stochastic-modeling-uncertainty-analysis-multio [...]

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4858-4878

Titre :	Linear programming with the attic method
Type de document :	texte imprimé
Auteurs :	Guido Buzzi-Ferraris, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4858-4878
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Mathematical programming Linear programming
Résumé :	This manuscript outlines a novel approach to solving linear programming problems which is referred to as the Attic Method as it deals with constraints as if they were tiles of a roof. This new approach is conceptually different from both Simplex and Interior Point algorithm families. It is also intrinsically efficient: the computational effort of each iteration is usually smaller since the working matrix may be smaller and its factorization is higher performance especially with respect to Interior Point methods; the number of iterations are usually smaller too, especially compared to the Simplex method; degeneracy and feasible starting point selection problems are also easier to solve. Certain examples illustrate the differences between the Attic and the existing methods.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128620

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4850-4857

Titre :	Software accuracy-based sensor network design and upgrade in process plants
Type de document :	texte imprimé
Auteurs :	DuyQuang Nguyen, Auteur ; Sanjay K. Sugumar, Auteur ; Miguel J. Bagajewicz, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4850-4857
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Design Software
Résumé :	In this paper we present a new method for linear and nonlinear sensor network design with applications to variable estimation based on the use of accuracy and residual accuracy. Accuracy has been shown recently to be a better substitute for existing data-reconciliation network properties, such as precision, residual precision, gross error detectability and resilience as pointed out in our previous works (the first two references). We explore the numerical difficulties associated to different ways of calculating accuracy and different methods used to optimize the cost.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128619

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4831-4849

Titre :	Multisite capacity, production, and distribution planning with reactor modifications : MILP model, bilevel decomposition algorithm versus lagrangean decomposition scheme
Type de document :	texte imprimé
Auteurs :	Fengqi You, Auteur ; Ignacio E. Grossmann, Auteur ; John M. Wassick, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4831-4849
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Mathematical programming Algorithm Modeling Mixed integer programming Linear programming Reactor Planning Production
Résumé :	We propose a multiperiod mixed-integer linear programming (MILP) model for the simultaneous capacity, production, and distribution planning for a multisite system including a number of production sites and markets. Multiple products are produced in several production trains that are located in different sites. The unique feature of the proposed model is that it considers the construction times of capacity modifications and takes into account the option of capacity transformation by modifying the reactor in a production train from producing one product family to producing another one. To solve the resulting large-scale MLLP model, we present solution techniques based on Lagrangean decomposition and bilevel decomposition. Numerical examples are presented to illustrate the applicability of the model and the performance of the algorithms. It is shown that the bilevel decomposition is the superior solution approach in terms of faster computational times and smaller optimality gaps for the problem addressed in this work.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128618

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4818-4830

Titre :	Kinetic modeling studies of heterogeneously catalyzed biodiesel synthesis reactions
Type de document :	texte imprimé
Auteurs :	Ankur Kapil, Auteur ; Karen Wilson, Auteur ; Adam F Lee, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4818-4830
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Modeling Catalytic reaction Kinetic model
Résumé :	The heteeogeneously catalyzed transesterification reaction for the production of biodiesel from triglycerides was investigated for reaction mechanism and kinetic constants. Three elementary reaction mechanisms Eley―Rideal (ER), Langmuir― Hinshelwood―Hougen―Watson (LHHW), and Hattori with assumptions, such as quasi-steady-state conditions for the surface species and methanol adsorption, and surface reactions as the rate-determining steps were applied to predict the catalyst surface coverage and the bulk concentration using a multiscale simulation framework The rate expression based on methanol adsorption as the rate lintiting in LHHW elementary mechanism has been found to be statistically the most reliable representation of the experimental data using hydrotalcite catalyst with different formulations.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128617

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 4805-4817

Titre :	Amino acids as raw material for biocompatible surfactants
Type de document :	texte imprimé
Auteurs :	Aurora Pinazo, Auteur ; Ramon Pons, Auteur ; Lourdes Pérez, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4805-4817
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Surfactant Raw materials
Résumé :	Surfactants are chemical products consumed in large quantities every day on a worldwide scale. The development of less irritant, less toxic, consumer-friendly surfactants is, therefore, of general interest. Amino-acid-based surfactants constitute a novel class of surfactants produced from renewable raw materials and can be seen as an alternative to conventional surfactants. With the aim of testing their applicability in formulations for pharmaceutical, food, and cosmetic industries we have carried out exhaustive studies to elucidate their properties as surfactants. We considered amino acid-based surfactants with one single chain, cystine or arginine gemini surfactants, lysine derivatives, and surfactants with glycerolipid-like structure.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128616

Industrial & engineering chemistry research / Paul, Donald R. . Vol. 50 N° 9

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