Catalogue en ligne Bibliothèque Ecole Nationale Polytechnique d'Alger

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp 591–604

Titre :	A new group contribution method for prediction of density of pure ionic liquids over a wide range of temperature and pressure
Type de document :	texte imprimé
Auteurs :	Kamil Paduszynski, Auteur ; Urszula Domanska, Auteur
Année de publication :	2012
Article en page(s) :	pp 591–604
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Ionic liquids
Résumé :	A detailed knowledge of reliable data on physical properties of ionic liquids (ILs) is of great importance, because ILs are still considered as potential replacements for volatile organic solvents in modern and sustainable (“greener”) processes of chemical industry. In particular, liquid density is a very important property that is required in many design problems of chemical engineering and material science. Therefore, development of new methods for estimation of density of ILs is essential. In this work we propose a new method based on generalized empirical correlation and group contributions. It was developed based on a comprehensive database of experimental data containing over 18500 data points for a great variety of 1028 ILs. The collected data covers temperature and pressure ranges of 253–473 K and 0.1–300 MPa, respectively. Molar volume at reference temperature (298.15 K) and pressure (0.1 MPa) was assumed to be additive with respect to defined set of both cationic and anionic functional groups, whereas a Tait-type equation with four adjustable parameters was adopted to describe temperature–pressure dependence of density (P–ρ–T). The model parameters, including contributions to molar volume for 177 functional groups, as well as universal coefficients describing the P–ρ–T surface, were fitted to experimental data for 828 ILs with an average absolute relative deviation (%AARD) of 0.53%. Then, the model was evaluated by a calculation of density for 200 ILs not included in the correlation set. We showed that the proposed GCM allows the accurate prediction of high pressure densities for a variety of ILs. The resulting %AARD of prediction was 0.45% which is the one of the lowest values compared with similar correlations reported in literature. Moreover, we showed that the presented method is able to accurately capture other volumetric properties of pure ILs such as molar volume and derivative properties (thermal expansion coefficient and isothermal compressibility) as well as their temperature and pressure dependencies.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie202134z

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 587–590

Titre :	Photocatalytic decomposition of cigarette smoke using a TiO2 - impregnated titanium mesh filter
Type de document :	texte imprimé
Auteurs :	Houda Slimen, Auteur ; Tsuyoshi Ochiai, Auteur ; Kazuya Nakata, Auteur
Année de publication :	2012
Article en page(s) :	pp. 587–590
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Titanium oxide Photocatalysis
Résumé :	TiO2-impregnated titanium mesh filter (TMiP) elaborated by electrochemical anodization of the titanium mesh, followed by dip coating into TiO2 anatase solution, was used for the removal of cigarette smoke as a principal indoor air pollutant. The TMiP catalyst revealed high activity for the removal of ammonium, nicotine, 3-ethenylpyridine, and tar, which constitute some of the volatile and nonvolatile compounds of cigarette smoke. As a practical application, an air purifier has been developed and tested for the removal of cigarette smoke.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476506

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 581–586

Titre :	Mg – al layered double hydroxides intercalated with polyetheramidoacids and exhibiting a pH - responsive releasing property
Type de document :	texte imprimé
Auteurs :	Chih-Wei Chiu, Auteur ; Yi-Lin Liao, Auteur ; Jiang-Jen Lin, Auteur
Année de publication :	2012
Article en page(s) :	pp. 581–586
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Hydroxides pH
Résumé :	Mg–Al layered double hydroxides (LDH) are prepared by coprecipitation of Mg(NO3)2 and Al(NO3)3 and subsequently incorporated with poly(oxypropylene)-bis-amidocarboxylic acid (POP). When characterized by X-ray diffraction, the interlayer spacing of the synthesized POP/LDH hybrids were found to be spatially expanded, with basal spacing ranging from 33–94 Å, proportionately correlated to the POP molecular weight of 400–4000 g/mol. With increasing POP molecular weight incorporation, a critical d-spacing is reached when the POP/LDH hybrids become hydrophobic. The organo-LDH units possessed an amphiphilic property and ability of dispersing in water, ethanol, and toluene. Furthermore, the hybrid was actually stable under basic conditions but structurally disintegrating at pH 2 through the release of POP organics into aqueous solution. The understanding of the mechanism involving basal spacing shrinkage and structure disintegration allows the future development of utilizing the POP-modified clay as pH-sensitive and self-destructive materials.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201535n

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 576–580

Titre :	A new controlled method to eliminate the influence of micromixing on particle size distribution for reactive crystallization
Type de document :	texte imprimé
Auteurs :	Caihong Li, Auteur ; Jinrong Liu, Auteur ; Hongqiang Wang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 576–580
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Micromixing Crystallization
Résumé :	This paper analyzes the problem of particle size distribution of precipitation products resulting from inhomogeneous micromixing during reactive crystallization. A new idea is proposed to solve the problem of broader particle size distribution of the precipitation product. This idea comes from the fact that the nucleation induction time can be prolonged to meet tS < tind by selecting proper operating conditions in the precipitation process.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2025618

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 567–575

Titre :	Correlation and prediction for isobaric vapor – liquid equilibria of the diethyl ether + methanol + 1 - butanol ternary system and the constituent binary systems at 101.325 kPa
Type de document :	texte imprimé
Auteurs :	Daming Gao, Auteur ; Hui Zhang, Auteur ; Dechun Zhu, Auteur
Année de publication :	2012
Article en page(s) :	pp. 567–575
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Vapor Liquid Methanol Butanol ternary system
Résumé :	The vapor–liquid equilibrium (VLE) data for the diethyl ether + methanol + 1-butanol ternary system and three constituent binary systems were measured at different liquid phase compositions using a dynamic recirculating still at 101.325 kPa. The activity coefficients of the solution were correlated with the Wilson, nonrandom two-liquid (NRTL), Margules, van Laar, and universal quasichemical activity coefficient (UNIQUAC) models through the fit of least-squares method. In addition, the VLE data of the ternary system were also predicted from these binary interaction parameters of Wilson, NRTL, Margules, van Laar, and UNIQUAC model parameters without any additional adjustment, which obtained the calculated vapor-phase compositions and bubble points compared with the measured values. The calculated bubble points with the model parameters of activity coefficients were in good agreement with the experimental data. The ASOG group contribution method also was used for prediction of the three binary systems. The thermodynamic consistency of the experimental VLE data was checked out by means of the Wisniak’s L–W test for the binary systems and the Wisniak–Tamir’s modification of McDermott–Ellis test for the ternary system, respectively.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201805m

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 561–566

Titre :	Artificial Neural Network Modeling of Surface Tension for Pure Organic Compounds
Type de document :	texte imprimé
Auteurs :	Aliakbar Roosta, Auteur ; Payam Setoodeh, Auteur ; Abdolhossein Jahanmiri, Auteur
Année de publication :	2012
Article en page(s) :	pp. 561–566
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Organic compounds
Résumé :	Surface tension as an important characteristic in much scientific and technological research is a function of liquid materials’ physical properties. Thus, it is desirable to have an accurate correlation between effective parameters and surface tension. This study investigates the applicability of artificial neural networks as an efficient tool for the prediction of pure organic compounds’ surface tensions for a wide range of temperatures. The experimental data gathered for training and verification of the network are related to a wide variety of materials such as alkanes, alkenes, aromatics, and sulfur, chlorine, fluorine, and nitrogen containing compounds. The most accurate network among several constructed configurations has one hidden layer with 20 neurons. The average absolute deviation percentage obtained for 1048 data points related to 82 compounds is 1.57%. The results demonstrate that the multilayer perceptron network could be an appropriate lookup table for the determination of surface tension as a function of physical properties.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2017459

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 556-560

Titre :	Limestone Particle Attrition in High-Velocity Air Jets
Type de document :	texte imprimé
Auteurs :	Gang Xiao, Auteur ; John R. Grace, Auteur ; C. Jim Lim, Auteur
Année de publication :	2012
Article en page(s) :	pp. 556-560
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Air jet Attrition
Résumé :	Experiments were carried out with limestone particles of several narrow size intervals (125―180, 250―300, 355―425, 500―600, 600―710, 710―850, and 850―1037 μm) for times ranging from 0.5 to 144 h in a high-velocity jet apparatus to provide a more comprehensive understanding of jet attrition. The theory of cumulative damage for fatigue is applied to explain the particle attrition mechanisms and to build an attrition model. Fines generation processes differed for limestone particles of different initial sizes, especially in the initial stage, because of the effects of rough surfaces and cumulative damage needed for attrition. In the model, the fines generation rates in the initial stage was well fitted by an exponential function with an index inversely proportional to the particle volume until stable stages were reached, whereas the rate of fines generation during the stable stage appeared to be constant for narrowly sized limestone particles.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476501

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 547–555

Titre :	Application of simplified PC - SAFT to glycol ethers
Type de document :	texte imprimé
Auteurs :	Ane S. Avlund, Auteur ; Georgios M. Kontogeorgis, Auteur ; Michael L. Michelsen, Auteur
Année de publication :	2012
Article en page(s) :	pp. 547–555
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Glycol ethers Methoxyethanol Ethoxyethanol
Résumé :	The simplified PC-SAFT (sPC-SAFT) equation of state is applied for binary glycol ether-containing mixtures, and it is investigated how the results are influenced by inclusion of intramolecular association in the association theory. Three different glycol ethers are examined: 2-methoxyethanol, 2-ethoxyethanol, and 2-butoxyethanol. Vapor–liquid and liquid–liquid equilibria of miscible and immiscible, self- and cross-associating mixtures are considered, including the closed-loop liquid–liquid equilibrium of 2-butoxyethanol–water. The results are finally compared to other association models.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2011406

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 539–546

Titre :	Modeling liquid – liquid equilibria of polyimide solutions
Type de document :	texte imprimé
Auteurs :	Lisa Hesse, Auteur ; Gabriele Sadowski, Auteur
Année de publication :	2012
Article en page(s) :	pp. 539–546
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Nanofiltration polymer
Résumé :	The mutual affinity of volatile organic compounds (VOCs) and the active polymer layer of dense organic solvent nanofiltration (OSN) membranes is an important property that influences the separation efficiency. Therefore, the affinity between active layer materials and VOCs was investigated by measuring the liquid–liquid equilibria (LLE) between neat polymers used as active layer materials and VOCs. The measured phase equilibria are modeled using the thermodynamic PC-SAFT (perturbed chain statistical associating fluid theory) model. This model allows for estimation of the pressure- and temperature-dependent chemical potentials of VOCs and membrane materials in feeds, membranes, and permeates. Two polyimides (P84 and Matrimid 5218) were selected as typical OSN membrane materials, and five different VOCs (n-hexane, ethyl acetate, 2-propanol, ethanol, and toluene) were considered. It was found that all miscibility gaps between the polyimides and VOCs are open miscibility gaps. The miscibility gaps of Matrimid 5218 and VOCs are much smaller than those of P84 with all VOCs. By means of the PC-SAFT equation of state, the phase behavior of the two polyimides with all considered VOCs could be well described.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2011142

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 531–538

Titre :	Electrofluidization of silica nanoparticle agglomerates
Type de document :	texte imprimé
Auteurs :	M.A.S. Quintanilla, Auteur ; J. M. Valverde, Auteur ; M. J. Espin, Auteur
Année de publication :	2012
Article en page(s) :	pp. 531–538
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Fluidization Nanoparticles
Résumé :	Fluidization of nanostructured powders, potentially providing extremely high gas–solids contact efficiency, has become of interest in a number of emerging applications. Usually, nanopowders are characterized by the existence of large agglomerates of nanoparticles (NPs), whose size and density determine the fluidizability of the powder. Moreover, because of contact and tribocharging mechanisms, insulating nanopowders may accumulate large amounts of electrostatic charge due to their high specific surface area, which can lead to potential hazards when they are handled in industry. The system studied in this work is a silica nanopowder fluidized in a polycarbonate vessel. We show results from a noninvasive visualization technique able to automatically track NP agglomerate trajectories in the fluidized bed excited by an externally applied alternating field. This technique enables us to measure NP agglomerate properties such as their size, charge, and density.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie200538v

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 523-530

Titre :	Separation and purification of hemicellulose by ultrafiltration
Type de document :	texte imprimé
Auteurs :	Itziar Egués, Auteur ; Cristina Sanchez, Auteur ; Inaki Mondragon, Auteur
Année de publication :	2012
Article en page(s) :	pp. 523-530
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Membrane separation Ultrafiltration Purification
Résumé :	During hydrolysis treatments, where the main objective is the solubilization of hemicelluloses, several undesirable reactions may occur. As a result, monomeric sugars and nonsaccharide compounds are obtained in the liquor. In the present study, autohydrolysis liquor resulting from the corn waste hydrolysis treatment (180 °C, 30 min) was filtered successively increasing the membrane cutoff (1, 5, and 10 kDa) to observe the potential of this technology for hemicellulose purification and fractionation by molecular weight. The experimental results showed that the 10 kDa retentate liquor fraction has the highest hemicellulose concentration (6.10 g/L) and it was constituted by defined molecular weight components (Mw = 2880), with low content in smaller compounds and inorganic material. Hemicelluloses have been isolated from each fraction and were analyzed by different analytical techniques (FT-IR, TGA, 1H NMR, and CHNS―O elemental analysis) to determine that it was possible to improve the physicochemical characteristics of the original liquor by ultrafiltration technology.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476497

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 515–522

Titre :	Evaluation of alkylimidazoles as physical solvents for CO2 / CH4 separation
Type de document :	texte imprimé
Auteurs :	Matthew S. Shannon, Auteur ; Jason M. Tedstone, Auteur ; Scott P. O. Danielsen, Auteur
Année de publication :	2012
Article en page(s) :	pp. 515–522
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Alkylimidazoles
Résumé :	1-n-Alkylimidazoles are a class of tunable solvents with low volatility and low viscosities. Although imidazoles have been known for some time in the pharmaceutical industry, and as convenient precursors for synthesizing imidazolium-based ionic liquids (ILs), only recently have they been given consideration in some of the same solvent-based separations applications that ILs have been studied for, such as post-combustion CO2 capture and natural gas treating. “Sweetening”, the removal of CO2, H2S, and other “acid” gases from natural gas (CH4), is an existing industrial application where low volatility, low viscosity physical solvents are already applied successfully and economically at large scale. Physical solvents are also used for syngas cleanup and in the emerging application of pre-combustion CO2 capture. Given the similarities in physical properties between 1-n-alkylimidazoles, and physical solvents currently used in industrial gas treating, the 1-n-alkylimidazole class of solvents warrants further investigation. Solubilities of CO2 and CH4 in a series of 1-n-alkylimidazoles were measured under conditions relevant to the use of physical solvents for natural gas treating: 5 atm partial pressure of CO2 and temperatures of 30–75 °C. Solubilities of CO2 and CH4 were found to be strongly dependent on temperature, with the solubility of each gas in all solvents diminishing with increasing temperature, although CO2 exhibited a stronger temperature dependence than CH4. Ideal CO2/CH4 solubility selectivities were also more favorable at lower temperatures in 1-n-alkylimidazole solvents with shorter chain lengths. CO2 solubility decreased with increasing chain length, while CH4 solubility exhibited a maximum in 1-hexylimidazole. The solubility trends observed with temperature and chain length can be explained through calculation of solution enthalpies and solvent fractional free volume as approximated from van der Waals volumes as calculated via atomic contributions. Of the solvents examined, 1-methylimidazole displays the most favorable CO2 solubility and CO2/CH4 selectivity, and has the lowest viscosity. A comparison of 1-methylimidazole to commercially used solvents reveals similar physical properties and the potential for use in industrial gas processing. Imidazolium-based ILs are also compared, although they appear less favorable for use within established process schemes given their higher viscosities and reduced capacity for CO2.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie202111k

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 503-514

Titre :	Aminosilane - functionalized cellulosic polymer for increased carbon dioxide sorption
Type de document :	texte imprimé
Auteurs :	Diana M. Pacheco, Auteur ; J.R. Johnson, Auteur ; William J. Koros, Auteur
Année de publication :	2012
Article en page(s) :	pp. 503-514
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Sorption Carbon dioxide
Résumé :	Improvement in the efficiency of CO2 separation from flue gases is a high-priority research area to reduce the total energy cost of carbon capture and sequestration technologies in coal-fired power plants. Efficient CO2 removal from flue gases by adsorption systems requires the design of novel sorbents capable of capturing, concentrating, and recovering CO2 on a cost-effective basis. This paper describes the preparation ofan aminosilane-functionalized cellulosic polymer sorbent with enhanced CO2 sorption capacity and promising performance for use in postcombustion carbon capture via rapid temperature-swing adsorption systems. The introduction of aminosilane functionalities onto the backbone of cellulose acetate was achieved by the anhydrous gafting of N-(2-aminoethyl)-3-aminoisobutyldimethylmethoxysilane. The dry sorption capacity of the modified cellulosic polymer reached 27 cc (STP) CO2/cc sorbent (1.01 mmol/g sorbent) at 1 atm and 39 cc (STP) CO2/cc sorbent (1.46 mmol/g sorbent) at 5 atm and 308 K. The amine loading achieved was 5.18 mmol amine(nitrogen)/g sorbent. Exposure to water vapor after the first dry sorption cycle increased the dry sorption capacity of the sorbent by 12% at 1 atm, suggesting its potential for rapid cyclic adsorption processes under humid feed conditions. The CO2 sorbent was characterized in terms of chemical composition, density changes, molecular structure, thermal stability, and surface morphology.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476495

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 495–502

Titre :	Heat - and mass - transfer kinetics of carbon dioxide capture using sorbent - loaded hollow fibers
Type de document :	texte imprimé
Auteurs :	Matthew D. Determan, Auteur ; Dhruv C. Hoysall, Auteur ; Srinivas Garimella, Auteur
Année de publication :	2012
Article en page(s) :	pp. 495–502
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Mass transfer Kinetics
Résumé :	Sorbent-loaded hollow fibers operating in a rapid temperature-swing adsorption cycle are a unique platform for the capture of CO2 from power plants. They are ideally suited for heat recovery strategies that will reduce the operating costs of capture facilities. Accurate estimates of the fiber-level heat- and mass-transfer kinetics are critical for the design and implementation of these systems. A detailed coupled heat- and mass-transfer model of the adsorption process in sorbent-loaded fibers is developed here. The effects of varying fiber geometry on the heat- and mass-transfer kinetics are presented. The rapid diffusion and adsorption in the fiber and the direct cooling of the fibers will enable efficient capture of CO2, as well as substantial recovery of the sensible heat capacity of the beds, thus reducing energy costs of the thermal-swing adsorption process.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201380r

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 487–494

Titre :	Permeate flux curve characteristics analysis of cross - flow vacuum membrane distillation
Type de document :	texte imprimé
Auteurs :	Hongtao Wang, Auteur ; Baoan Li, Auteur ; Wang, Li, Auteur
Année de publication :	2012
Article en page(s) :	pp. 487–494
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Distillation Cross flow
Résumé :	In this Article, the heat and mass transfer processes were analyzed to build a mathematic model of cross-flow vacuum membrane distillation (VMD) for deriving the theoretical relationship of permeate flux with operation conditions and better understanding of the novel VMD performance. The common characteristics of permeate flux curves were studied experimentally under different operation conditions in cross-flow VMD. Three main operation conditions (feed inlet temperature, vacuum level, and feed velocity) affect the permeate flux curves with different mechanisms, which form different types of permeate flux curves. Feed inlet temperature mainly affects saturated vapor pressure of feed at membrane surface, and the characteristic of the curves of permeate flux versus feed inlet temperature is opening up incremental parabola. Vacuum level mainly affects the vapor pressure of permeate side, and the characteristic of the curves of permeate flux versus vacuum level of permeate side is the linear growth line. Feed velocity mainly affects residence time of feed in membrane module and convective heat transfer coefficient of boundary layer in feed side, and the characteristic of the curves of permeate flux versus feed velocity is right opening growth parabola. Temperature polarization on the feed side intensifies with the increase of permeate flux under any operation condition, and even with the increases of feed inlet temperature, vacuum level of permeate side, and feed velocity.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201961v

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp.480–486

Titre :	Simultaneous removal of SO2 and NO from flue gas using multicomposite active absorbent
Type de document :	texte imprimé
Auteurs :	Yi Zhao, Auteur ; Yinghui Han, Auteur ; Cheng Chen, Auteur
Année de publication :	2012
Article en page(s) :	pp.480–486
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Gas Multicomposite
Résumé :	A multicomposite active absorbent was prepared using the liquid-phase complex of NaClO2 and NaClO as well as solid-phase slake lime to simultaneous desulfurization and denitrification at a flue gas circulating fluidized bed (CFB). The effects of influencing factors on the removal efficiencies of SO2 and NO were investigated. Removal efficiencies of 96.5% for SO2 and 73.5% for NO were obtained, respectively, under the optimal experimental conditions. The characterization of the spent absorbent was carried out by using energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), and chemical analysis methods, from which the simultaneous removal mechanism of SO2 and NO based on this absorbent was proposed.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie202617h

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 474-479

Titre :	Solvent selection for the desorption of acrylonitrile from dowex optipore L - 493
Type de document :	texte imprimé
Auteurs :	Christine Wegmann, Auteur ; Tanja Dekic Zivkovic, Auteur ; Piet J. A. M. Kerkhof, Auteur
Année de publication :	2012
Article en page(s) :	pp. 474-479
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Desorption
Résumé :	Dissolved acrylonitrile can be separated from water by adsorption onto a polymeric sorbent in a fixed bed. Switching the liquid phase from water in the adsorption step to another solvent in the desorption step can enhance the desorption of acrylonitrile from the sorbent. The selection of this solvent is the aim of this study. As a first step, computer aided molecular design was used to confine the experimental search domain. In this search the functional groups acetyl, alcohol, and amine appeared as parts of the potential solvents. As a second step, five organic solvents containing these functional groups were chosen. As a last step, the selected solvents were tested by performing adsorption experiments. Acetone was finally selected as desorption solvent for the adsorption-desorption process. This study demonstrates that by combining computer aided molecular design with experimental work, a wide range of solvents can be efficiently screened in a short time.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476491

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 464-473

Titre :	Solubility prediction of pharmaceutical and chemical compounds in pure and mixed solvents using predictive models
Type de document :	texte imprimé
Auteurs :	Ehsan Sheikholeslamzadeh, Auteur ; Sohrab Rohani, Auteur
Année de publication :	2012
Article en page(s) :	pp. 464-473
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Forecast model Mixed solvent Chemical compound Prediction Solubility
Résumé :	Thermodynamic models offer a fast, reliable, and cost-effective method to select the best solvent or solvent mixtures for crystallization of solid components. To optimize the performance of the unit operations which produce active pharmaceutical ingredients (APIs), the physical properties of the solute and solvent must be known. Solubility prediction is very crucial in the fine and specialty chemical industries, as the total cost of production is high in most cases. In this study, the solubility of three chemical compounds, 3-pentadecylphenol, lovastatin, and valsartan, in different solvents and solvent mixtures were studied experimentally and theoretically. The thermodynamic models of the UNIFAC and the NRTL-SAC model were used for prediction. The results of the prediction from the two models and their average relative deviation for the three model compounds showed a better performance for the NRTL-SAC model compared to the UNIFAC. For the case of lovastatin and valsartan, the NRTL-SAC model gives the average relative deviation of 0.2401 and 0.3843, respectively. Because of the flexibility of the NRTL-SAC program code that is written for the phase behavior prediction, it can be used for further analysis and optimization of the performance of crystallization processes (i.e., solvent screening and yield of the process). This study shows that the NRTL-SAC model can be used effectively in pharmaceutical industry, especially for solvent screening purposes.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476490

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 454-463

Titre :	Prediction strategy of adsorption equilibrium time based on equilibrium and kinetic results to isolate taxifolin
Type de document :	texte imprimé
Auteurs :	Tingting Liu, Auteur ; Ming Yang, Auteur ; Tianxin Wang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 454-463
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Kinetics Adsorption Prediction
Résumé :	We proposed a systematic strategy based on the studies about the adsorption performance of AB-8 macroporous adsorption resins for prediction of the equilibrium time in taxifolin isolation. Batch experiments were appropriately designed to obtain the best fitting model and to gain insight into the adsorption mechanisms. A modified Langmuir model was used to calculate the adsorption capacity at the adsorption equilibrium point (Qe). Subsequently, the reformed pseudo-secondorder model was employed to predict the effects of the second-order rate index (k2Qe) on the adsorption time (t). Then, the effects of the initial adsorption factor (Ri) on the relative adsorption time (t/te) were predicted by the reformed intraparticle diffusion model. On the basis of mathematical deduction, the value of the adsorption equilibrium time (te) can be predicted, which may lead to reduced sampling in adsorption kinetics studies. Furthermore, the good agreement between experimental and predicted data confirmed the reliability of the proposed strategy.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476489

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 443–453

Titre :	Simulation analysis of multiphase flow and performance of hydrocyclones at different atmospheric pressures
Type de document :	texte imprimé
Auteurs :	Yanxia Xu, Auteur ; Xingfu Song, Auteur ; Ze Sun, Auteur
Année de publication :	2012
Article en page(s) :	pp. 443–453
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Multiphase flow Hydrocyclones
Résumé :	A hydrocyclone, as a common liquid/solid grading instrument, was chosen to separate calcium sulfate particles from crude carnallite during the KCl production process on the Tibetan Plateau in China, because CaSO4 particles are independent of KCl particles and have a smaller particle size distribution. The local altitude on the Tibetan Plateau in China is over 3000 m, so the effects of low atmospheric pressure on the separation performance of the hydrocyclone should be considered. In this article, the computational fluid dynamics (CFD) simulation technique was used to investigate the hydrodynamics and particles separation performance of an industrial hydrocyclone with a 428-mm diameter at both plain and plateau atmospheric pressures. In this CFD approach, the Reynolds stress model (RSM) was used to describe the turbulent fluid flow, the volume of fluid (VOF) multiphase model was used to simulate the interface between the liquid phase and the air core, and the stochastic Lagrangian model was used to track the particle flow. The mathematical models deveoped for the industrial hydrocyclone were tested by comparing the predicted results with the flow fields measured by Hsieh (Ph.D. Thesis, The University of Utah, Salt Lake City, UT, 1988). According to the simulation results, the environmental atmospheric pressures on the plain and plateau had effects mainly on the flow field inside the air core and near the interface between the air core and the liquid phase. It was found the direction of the axial velocity on the cylinder part and the values of the tangential velocity changed under the different environmental atmospheric pressures. When the industrial hydrocyclone was operated in the plateau environment, the separation efficiency for small particles decreased about 10% at the overflow, which was not good for CaSO4 removal, but there was no effect on the particles size larger than 350 μm, and more energy was consumed, although the difference in the split ratio was small.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201147e

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 434–442

Titre :	Quantum sieving in metal – organic frameworks : A computational study
Type de document :	texte imprimé
Auteurs :	Dahuan Liu, Auteur ; Wenjie Wang, Auteur ; Jianguo Mi, Auteur
Année de publication :	2012
Article en page(s) :	pp. 434–442
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Metal organic Hydrogen Isotope
Résumé :	In this work, a systematic computational study was performed to investigate the quantum sieving in nine typical metal–organic frameworks (MOFs) for the separation of hydrogen isotope mixtures. The results show that Cu(F-pymo)2 and CPL-1 exhibit exceptional selectivity that is higher than other MOFs as well as other nanoporous materials such as carbon nanotubes, slit-shaped graphites, and zeolites studied so far. A concept named “quantum effective pore size” (QEPS) was proposed in this work, which can incorporate the effects of quantum sieving, and thus is temperature-dependent. On the basis of the new pore size, good correlations between pore size and selectivity can be established for the MOFs considered; particularly, they can explain the different selectivity performance of the two MOFs with highest selectivity at 40 and 77 K. This work indicates that MOFs are suitable candidates for the separation of hydrogen isotopes through quantum sieving.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2006802

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 425-433

Titre :	A Natural Gas to Liquids Process Model for Optimal Operation
Type de document :	texte imprimé
Auteurs :	Mehdi Panahi, Auteur ; Ahmad Rafiee, Auteur ; Sigurd Skogestad, Auteur
Année de publication :	2012
Article en page(s) :	pp. 425-433
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Modeling Natural gas
Résumé :	The design and optimization of a natural gas to hydrocarbon liquids (GTL) process is considered, mainly from the view of maximizing the variable income during operation. Autothermal reforming (ATR) is used for synthesis gas production. The kinetic model for Fischer-Tropsch (FT) reactions is the one given by Iglesia et al. for a cobalt-based FT reactor. For the product distribution, three alternative expressions for the chain growth factor α are compared.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476486

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 410-424

Titre :	Cleaner Design of Single-Product Biotechnological Facilities through the Integration of Process Simulation, Multiobjective Optimization, Life Cycle Assessment, and Principal Component Analysis
Type de document :	texte imprimé
Auteurs :	Robert Brunet, Auteur ; Gonzalo Guillén - Gosalbez, Auteur ; Laureano Jiménez, Auteur
Année de publication :	2012
Article en page(s) :	pp. 410-424
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Principal component analysis Life cycle (environment) Optimization Design
Résumé :	Bioprocesses have been typically optimized according to their economic performances. In this work we present a novel framework for their optimal design that allows for the simultaneous consideration of economic and environmental concerns. Our approach relies on the combined use ofsimulation packages, multiobjective optimization (MOO), life cycle assessment (LCA), and principal component analysis (PCA). The capabilities of the proposed methodology are illustrated through its application to the production of the amino acid L-lysine.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476485

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 398–409

Titre :	Enhancement in research octane number and hydrogen production via dynamic optimization of a novel spherical axial - flow membrane naphtha reformer
Type de document :	texte imprimé
Auteurs :	Mohammad Reza Rahimpour, Auteur ; Davood Iranshahi, Auteur ; Khadijeh Paymooni, Auteur
Année de publication :	2012
Article en page(s) :	pp. 398–409
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Dynamic Optimization
Résumé :	Spherical axial-flow membrane reactors (SMR) can be proposed as a promising alternative for conventional tubular reactors (CTR) in the catalytic naphtha reforming process. In this study, the operating conditions and design parameters of SMR are optimized via a differential evolution (DE) method to maximize the hydrogen yield, the reformate production rate, and the aromatic content of reformate (octane number). Regarding this, 26 decision variables such as the membrane thickness, catalyst mass distribution, and flow distribution of sweeping gas are optimized, and the performance of the SMR is evaluated under optimized operating conditions. The optimization results show that the operating costs can decrease sharply with a decrease in the sweeping gas streamlines’ pressures where they decline from 985, 1810, and 2000 kPa in the first, the second, and the third reactors of nonoptimized SMR to 242.4, 563.1, and 796.6 kPa in optimized SMR, respectively. Moreover, the research octane number (RON) of gasoline can improve well in optimized SMR owing to the achievement of higher aromatic yield and the aromatic content of the reformate. Consequently, an optimized SMR configuration can properly address the increasing demand for high-octane gasoline. The superiority of the optimized SMR configuration to CTR can be counted as assisting the membrane concept, lower pressure drop along the reaction side, and utilizing the optimum operating conditions.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2010912

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 389–397

Titre :	CO2 storage terminal for ship transportation
Type de document :	texte imprimé
Auteurs :	Ung Lee, Auteur ; Youngsub Lim, Auteur ; Sangho Lee, Auteur
Année de publication :	2012
Article en page(s) :	pp. 389–397
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	CO2 liquefaction process
Résumé :	In this article, an intermediate CO2 storage system for long-distance ship transportation was modeled. The storage terminal links the continuous CO2 liquefaction process to discrete marine ship transportation and performs as a buffer between them. It is composed of four distinct processes: a CO2 input process, a storage tank and loading process, a recirculation process, and a BOG (boiled-off gas) reliquefaction process. The entire system should be operated as a liquid phase. Consequently, operation conditions, tank capacity, insulation specification, and streamflow rates play a major role in operating the storage terminal securely. The goal of this study is to design a base case of the storage terminal and propose its appropriate operation condition which makes the terminal operate with minimum operation energy. Results of the base case simulations are compared with improperly insulated systems on the pipeline and tanks that generate more BOG than the base case. The total operation energies of the base case and case studies are presented, and it turns out that approximately three times the operation energy is required if the system is not properly designed.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie200762f

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 374–388

Titre :	Multimode process monitoring based on mode identification
Type de document :	texte imprimé
Auteurs :	Shuai Tan, Auteur ; Fuli Wang, Auteur ; Jun Peng, Auteur
Année de publication :	2012
Article en page(s) :	pp. 374–388
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Multimode process
Résumé :	Many industrial processes have multiple operation modes due to different manufacturing strategies or varying feedstock. Fault detection for a multimode process is a complex problem, as monitoring for both stable and transitional modes should be taken into consideration. In this paper, a novel method based on the similarity of data characteristics is proposed to realize mode identification for modeling data. Different models are developed to capture the major tendencies of process variables. Especially, the transitional regions between neighboring stable modes, which have their particular dynamic characteristics, are modeled, respectively. Online monitoring procedures are formulated on the basis of mode identification. It is more efficient than a model matching strategy using traversing method. At last, the efficacy of the proposed method is illustrated by applying it to a continuous annealing line process and the Tennessee Eastman process. Both results of real application and simulation clearly demonstrate the effectiveness and feasibility of the proposed method.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102048f

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 362–373

Titre :	Optimal design of a rice mill utility system with rice husk logistic network
Type de document :	texte imprimé
Auteurs :	Lim Jeng Shiun, Auteur ; Haslenda Hashim, Auteur ; Zainuddin Abdul Manan, Auteur
Année de publication :	2012
Article en page(s) :	pp. 362–373
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Thermal energy Optimal Logistic network
Résumé :	Thermal energy for drying and electricity for milling operations typically comprise a significant 55% of a rice mill operating cost. Optimal design of rice mill utility system that efficiently utilizes rice husk biomass has potential to increase profitability of rice milling industry. This paper presents a mathematical approach for simultaneous optimal planning of rice husk logistic network as well as optimal design of a rice mill utility system that efficiently utilizes rice husk supplied from various locations in order to satisfy the electricity and drying requirements of the rice mill throughout the year. A mixed integer linear programming (MILP) problem was formulated to determine: (1) the optimal logistic network for the rice husk supply, (2) the economic scale of the rice husk cogeneration system, and (3) an optimal utility supply network for a series of dryers consisting of a combination of cyclonic husk furnace (CHF) and cogeneration systems. Solution to the MILP problem yields an optimal utility system configuration consisting of a specified network of rice husk logistic network, a 15 tons boiler for the cogeneration system and 8 units of CHFs to satisfy the rice mill heat and power requirements. Compared to the baseline, the optimal utility network manages to reduce 18.5% of the total rice mill annualized cost which include the costs of capital, fuel, and electricity.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101667j

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 353-36

Titre :	As (III) and As (V) adsorption by hydrous zirconium oxide nanoparticles synthesized by a hydrothermal process followed with heat treatment
Type de document :	texte imprimé
Auteurs :	Cui Hang, Auteur ; Qi Li, Auteur ; Shian Gao, Auteur
Année de publication :	2012
Article en page(s) :	pp. 353-36
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Heat treatment Nanoparticle Adsorption
Résumé :	Hydrous zirconium oxide (ZrO2·xH2O) were synthesized by a low-cost hydrothermal process followed with heat treatment. ZrO2·xH2O nanoparticles ranged from 6 nm to 10 nm and formed highly porous aggregates, resulting in a large surface area of 161.8 m2 g―1. The batch tests on the laboratory water samples demonstrated a very high degree of As(III) and As(V) removal by ZrO2·xH2O nanoparticles. The adsorption mechanism study demonstrated that both arsenic species form inner-sphere surface complexes on the surface of ZrO2·xH2O nanoparticles. Higher arsenic removal effect of these ZrO2·xH2O nanoparticles were demonstrated, compared with commercially available Al2O3 and TiO2 nanoparticles. Ionic strength and competing ion effects on the arsenic adsorption of these ZrO2·xH2O nanoparticles were also studied. Testing with natural lake water confirmed the effectiveness of ZrO2·xH2O nanoparticles in removing arsenic species from natural water, and the immobilization of ZrO2•xH2O nanopartides on glass fiber cloth minimized the dispersion of nanoparticles into the treated body of water. The high adsorption capacity of ZrO2•xcH2O nanoparticles is shown to result from the strong inner-sphere surface complexing promoted by the high surface area, large pore volume, and surface hydroxyl groups of zirconium oxide nanoparticles.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie202260g

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 345–352

Titre :	Cu – Zn – al oxide cores packed by metal - doped amorphous silica – alumina membrane for catalyzing the hydrogenation of carbon dioxide to dimethyl ether
Type de document :	texte imprimé
Auteurs :	Fei Zha, Auteur ; Jian Ding, Auteur ; Yue Chang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 345–352
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Hydrogenation Catalyst
Résumé :	The direct synthesis of a millimeter-sized core–shell-like catalyst that can be used in the hydrogenation of carbon dioxide to dimethyl ether was achieved by in situ hydrothermal synthesis. The capsule catalyst exhibited a special core–shell-like structure of a coprecipitated CuO/ZnO/Al2O3 core enwrapped by one layer of metal-doped amorphous silica–alumina (ASA) membrane and was characterized by XRD, SEM, and thermal analysis. The effects of metal oxide cores and membranes prepared with different precipitants, structure-directing templates, and hydrothermal synthesis conditions, as well as temperatures and pressures, on the catalytic activity of the capsule catalyst for the hydrogenation of CO2 to dimethyl ether were investigated. Under reaction conditions of a pressure of 3.0 MPa, a space velocity (SV) of 1800 mL·gcat–1·h–1, a CO2/H2 volume ratio of 1:3, and a temperature of 266 °C, the capsule catalysts with cores coprecipitated by urea using n-butylamine as the templating agent to enwrap the amorphous silica–alumina membranes had excellent catalytic properties for dimethyl ether synthesis, and the conversion of CO2 reached 47.1%, with a dimethyl ether yield and selectivity of 19.9% and 42.4%, respectively.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie202090f

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 335–344

Titre :	Synthesis and thermal analysis of a magnetic composite by thermogravimetry coupled to fourier transform infrared spectroscopy and mass spectrometry
Type de document :	texte imprimé
Auteurs :	Nita Tudorachi, Auteur ; Aurica P. Chiriac, Auteur ; Iordana Neamtu, Auteur
Année de publication :	2012
Article en page(s) :	pp. 335–344
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Thermal analysis Thermogravimetry Spectrometry
Résumé :	This study presents the synthesis of the poly(succinimide)-co-poly(ethylene glycol) block copolymer (PSI-co-PEG) as a matrix for ferrite encapsulation via an in situ polycondensation reaction, by using manganese acetate as a catalyst and dodecane as a solvent. The copolymer and magnetic composite with ferrite in its composition were characterized by FT-IR spectroscopy and thermal analyses (TA) coupled with FT-IR and mass spectrometry (MS). The behaviors while heating and at thermal stability for the copolymer and magnetic composite are different. As a function of the heating rate, the block copolymer presents 3–4 thermal degradation stages, while the magnetic composite decomposed in a maximum of two stages; as compared with the magnetic composite, the weight losses are smaller in the case of the copolymer matrix. The ferrite in the magnetic composite may have an autocatalytic effect that contributes to the acceleration of the thermal degradation process. The analysis of the mass and FT-IR spectra for the released gases in the thermal decomposition process does not reveal an unusual difference, but the temperatures for their identification are different. Generally, using TG/FTIR/MS simultaneous analysis, more gaseous species were determined from the copolymer and magnetic composite in the temperature range of 30–600 °C.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2020203

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 327-334

Titre :	Systematic investigation of dispersions of unmodified inorganic nanoparticles in organic solvents with focus on the hansen solubility parameters
Type de document :	texte imprimé
Auteurs :	Jan U. Wieneke, Auteur ; Bjorn Kommoß, Auteur ; Oxana Gaer, Auteur
Année de publication :	2012
Article en page(s) :	pp. 327-334
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Solubility Organic solvent Nanoparticle Dispersion
Résumé :	Dispersions of unmodified nanoparticles (titanium dioxide, hydroxyapatite) were prepared by redispersion of nanoparticle powders in organic solvents using an ultrasound treatment. The dispersion quality was judged by dynamic light scattering (DLS) measurements and visual evaluation. Whereas "bad" solvents led to no or unstable dispersions with large particle diameters, dispersions made from the "good" solvents consisted of particles with relatively small diameters and were stable for several days or longer. For titanium dioxide, mixtures from four of the "good" solvents identified after first screening of a large set of solvents were prepared and tested as dispersion agent. Thus obtained dispersions showed superior properties compared to the previous dispersions, with small particles sizes and good long-time stability. Based on a rating of solvent quality and by calculation using the software HSPiP v3, the Hansen solubility parameters of the particles were then determined. Subsequently, entirely new solvent mixtures that could best fit these parameters were selected and found to also exhibit suitable properties as dispersion agent for the nanoparticles. The same iterative and quantitative approach worked also for the preparation of good and stable dispersions of hydroxyapatite. All results show that this is a promising methodology to disperse inorganic nanoparticles into suited organic solvents, for instance for the preparation of new polymeric nanocomposites. Furthermore, the method can be used to indirectly characterize the surface chemistry of nanoparticles.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476477

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 318-326

Titre :	A novel aqueous route to fabricate ultrasmall monodisperse lipophilic cerium oxide nanoparticles
Type de document :	texte imprimé
Auteurs :	Thadathil S. Sreeremya, Auteur ; Kunnambeth M. Thulasi, Auteur ; Asha Krishnan, Auteur
Année de publication :	2012
Article en page(s) :	pp. 318-326
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Nanoparticle
Résumé :	Ultrasmall monodisperse 2.3 nm CeO2 nanoparticles have been synthesized by simple ammonia precipitation of cerium nitrate in a mixed glycol―water solvent and phase transferred into apolar solvents. Cerium oxide crystal surfaces were passivated with oleic acid (OA) by reflux under ambient pressure conditions. OA molecules were chemisorbed on the ceria nanoparticle surfaces. Preferential growth of the {100} planes has been observed, ascribed to restricted growth of {111} faces due to adsorbed OA The surfacted CeO2 nanoparticles were dispersed into a stable, colloidal suspension of fine particles in hydrocarbon solvents. The CeO2 nanocrystals were characterized by X-ray diffraction, Fourier transform infrared spectra, and Raman spectral methods. Transmission electron microscopic images and photon scattering studies proved that the colloidal particles in hydrocarbon solvent were indeed monocrystalline with one crystallite per particle, monodispersed with a narrow size distribution.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476476

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 310-317

Titre :	Covalent functionalization of graphene with polysaccharides
Type de document :	texte imprimé
Auteurs :	Qiang Yang, Auteur ; Xuejun Pan, Auteur
Année de publication :	2012
Article en page(s) :	pp. 310-317
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Functionalization
Résumé :	Stable aqueous suspension of graphenes was fabricated from chemical reduction of graphene oxide with the assistance of hydroxypropyl cellulose or chitosan covalently grafted on the graphenes. First, pristine graphite was oxidized using a two-step method (H2SO4 + HNO3 followed by KMnO4). The oxidation-introduced carboayl groups in graphene oxide were then converted into acyl chloride with thionyl chloride. Subsequently, hydroxypropyl cellulose or chitosan was covalently grafted onto the activated graphene oxide through esterification reactions. Finally, the functionalized graphene oxide was chemically reduced to graphene nanosheets with hydrazine.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476475

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 301–309

Titre :	Predictions of sulfur resistance in metal membranes for H2 purification using first - principles calculations
Type de document :	texte imprimé
Auteurs :	Ki Chul Kim, Auteur ; Sung Gu Kang, Auteur ; David S. Sholl, Auteur
Année de publication :	2012
Article en page(s) :	pp. 301–309
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Metal membranes Purification
Résumé :	Contamination of metal films by sulfur-containing compounds presents a major challenge to using metal membranes for H2 purification in processes involving large-scale gasification of coal or biomass. Formation of bulk sulfide phases in these applications is typically associated with irreversible loss of performance and ultimately membrane failure. The concept of using metal alloys to reduce sensitivity to sulfide formation has been explored in a variety of experiments, but development of alloys for this purpose has been hampered by a lack of thermodynamic data on formation of the relevant sulfide phases. We show that first principles calculations using density functional theory can be used to predict the formation of bulk sulfide phases from metal alloys under conditions that are relevant for operation of metal membranes. Our methods are illustrated by assessing the formation of sulfides for PdAg, PdAu, and PdCu alloys of all possible binary compositions.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201888x

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 292–300

Titre :	Characterization of LiFePO4 / C cathode for lithium Ion batteries
Type de document :	texte imprimé
Auteurs :	Nathalie Lyczko, Auteur ; Ange Nzihou, Auteur ; Patrick Sharrock, Auteur
Année de publication :	2012
Article en page(s) :	pp. 292–300
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Lithium Ion Batteries
Résumé :	LiFePO4/C was synthesized from a mixture of different precursors of Li, Fe, and C by solid-state reaction. The initial mixture obtained was heated in different calcination conditions under inert atmosphere. The precursor of LiFePO4 doped with carbon was studied using different techniques such as thermal analysis, chemical and physical characterizations, and Mösbauer spectroscopy. A calculation of the crystallinity of the final product with two different methods is also presented. The chemical analysis techniques used were IRTF, XRD, and SEM. This characterization confirmed that we obtained a well-crystallized LiFePO4/C in all the operating conditions tested. The SEM showed aggregation and sintering during the calcination process, which were confirmed by the particle-size distribution measurements and by the physical characterizations. Mösbauer spectroscopy was used to determine the quantity of Fe(II) and Fe(III) contained in the final product. Our calcination conditions did not significantly modify the quantity of the two oxidation states.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201799x

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 285–291

Titre :	Fabrication of hierarchical layered double hydroxide framework on aluminum foam as a structured adsorbent for water treatment
Type de document :	texte imprimé
Auteurs :	Shan He, Auteur ; Yufei Zhao, Auteur ; Min Wei, Auteur
Année de publication :	2012
Article en page(s) :	pp. 285–291
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Hydroxide Adsorbent
Résumé :	A hierarchical Mg–Al layered double hydroxide (LDH) framework has been fabricated via the in situ crystallization technique on aluminum foam, which can be used to remove heavy metal ion Cr(VI) and anionic dye (Remazol Brilliant Blue R, denoted as RBBR) from aqueous solutions. The as-prepared LDH/Al-foam displays flowerlike LDH microspheres composed of numerous LDH nanoplatelets, which was confirmed by XRD and SEM. The sorption kinetics of hierarchical LDH framework for Cr(VI) was appropriately described by a pseudo-second-order model. Sorption isotherms of both Cr(VI) and RBBR were also studied, which can be fitted by the Langmuir model more satisfactorily than the Freundlich one. It was found that the sorption capacities (qMAX) of the LDH framework reached 27.8 mg g–1 for Cr(VI) and 212.8 mg g–1 for RBBR, respectively, much larger than those of the corresponding LDH powder sample (21 mg g–1 for Cr(VI) and 166.7 mg g–1 for RBBR). Furthermore, the hierarchical LDH framework exhibits excellent sorption–regeneration performances compared with the powder sample, which facilitates its repeatable and cyclic usage over a long period. Owing to the high sorption capacity, low-cost preparation, convenient manipulation, and easy regeneration of the hierarchical LDH framework, it can be potentially used as a structured adsorbent in the field of water treatment.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2015894

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 274–284

Titre :	Effect of temperature on the corrosion inhibition of nonionic surfactant TRITON - X - 405 on ferritic stainless steel in 1.0 M H2SO4
Type de document :	texte imprimé
Auteurs :	Regina Fuchs - Godec, Auteur ; Miomir G. Pavlovic, Auteur ; Milorad V. Tomic, Auteur
Année de publication :	2012
Article en page(s) :	pp. 274–284
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Corrosion Nonionic Stainless steel
Résumé :	The inhibiting action of a nonionic surfactant of the TRITON-X series (TRITON-X-405) on stainless steel type X4Cr13 in 1.0 M H2SO4 solution within the temperature range of 25–45 °C was studied using the gravimetric and potentiodynamic technique. The inhibition efficiency was found to increase with the inhibitor concentration and decrease with temperature. The satisfactory inhibition efficiency of TRITON-X-405 on SS type X4Cr13 in 1.0 M H2SO4 was limited to temperatures below 35 °C or at the surfactant concentration higher than c = 10–5 M. The adsorption of TRITON-X-405 on stainless steel type X4Cr13 in one molar of sulphuric acid within the chosen temperature range follows the Flory–Huggins adsorption model with very high negative values of the free energy of adsorption ΔGads. The thermodynamic parameters, such as the heat of adsorption and adsorption entropy, were calculated by employing thermodynamic equations. Activation parameters such as apparent activation energy, activation enthalpy, and activation entropy were evaluated from the effect of temperature on corrosion and inhibition processes. Those entire apparent activation parameters show an increase–decrease characteristic (a nonmonotonic function). They increased at concentrations lower than the cmc of added surfactant and decreased when the concentration of TRITON-X-405 was higher than c = 10–5 M.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2015697

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 262–273

Titre :	Polysulfide and biobased extreme pressure additive performance in vegetable vs paraffinic base oils
Type de document :	texte imprimé
Auteurs :	Girma Biresaw, Auteur ; Svajus J. Asadauskas, Auteur ; Ted G. McClure, Auteur
Année de publication :	2012
Article en page(s) :	pp. 262–273
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Polysulfide Biobased polyester
Résumé :	Twist compression tribotester (TCT) and 4-ball extreme pressure (EP) methods were used to investigate commercial polysulfide (PS) and biobased polyester (PE) EP additives in paraffinic (150N) and refined soybean (SOY) base oils of similar viscosity. Binary blends of EP additive and base oil were investigated as a function of additive concentration. In addition to weld point (WP), 4-ball EP produced a set of preweld data, notably peak torque and wear scar diameter, which were found to correlate with WP results. TCT gave a 5-fold larger time-to-failure (TTF) for neat SOY than for neat 150N, whereas 4-ball EP gave similar WP (120 kgf) values for both neat oils. This difference was explained by invoking boundary contribution to TCT but not to 4-ball EP method. Both additives improved the WP and TTF of the base oils, which further increased with increasing additive concentration. However, the extent of the improvements was highly dependent on the chemistries of the additive and base oil of the blends. Thus, at similar concentrations, the WP of PE was higher in the 150N than in the SOY base oil, while the WP of PS was higher in the SOY than in the 150N base oil. Similarly, TTF of 150N was higher with blended PE than PS; whereas for SOY, it was higher with blended PS than PE. This chemistry effect was attributed to relative compatibility between EP additives and base fluids. The results suggest that a substantial reduction (up to 4-fold) in EP additive usage in commercial lubricant formulations can be achieved through proper selection of compatible base fluids and additives.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2015685

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 255-261

Titre :	Sol – gel derived boehmite as an efficient and robust carrier for enzyme encapsulatioe
Type de document :	texte imprimé
Auteurs :	Yuanyuan Zhu, Auteur ; Zhongyi Jiang, Auteur ; Zhang, Lei, Auteur
Année de publication :	2012
Article en page(s) :	pp. 255-261
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Encapsulation
Résumé :	Boehmite particles were prepared by a facile sol-gel method using sodium aluminate as the precursor under ambient Conditions, and they were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), powder X-ray diffraction (XRD), nitrogen adsorption, etc. It is found that the boehmite particles consist of flat nanostrips, which are about 230 nm in length and 30 nm in width. The nanostrips are composed of nanoneedles of about 7 nm in diameter and 24 nm in length. The Brunauer―Emmett―Teller (BET) specific surface area, pore size, and pore volume of boehmite particles are 165 m2 g―1, 3.8 nm, and 0.11 cm3 g―1, respectively. Moreover, these boehmite particles are used as an efficient and robust carrier to encapsulate a model enzyme: bovine liver catalase. The catalase encapsulated in boehmite particles exhibits higher pH, thermal, and storage stabilities compared to its free counterpart. These results indicate that boehmite may become a competitive carrier for biological and technological applications.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476469

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 248-254

Titre :	Simulating study of atmospheric corrosion of galvanized steels : Influence of zinc rusts on the formation of β - FeOOH rust particles by aerial oxidation of aqueous FeCl2 solution
Type de document :	texte imprimé
Auteurs :	Hidekazu Tanaka, Auteur ; Tatsuya Kitazawa, Auteur ; Nagisa Hatanaka, Auteur
Année de publication :	2012
Article en page(s) :	pp. 248-254
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Oxidation Steel Atmospheric corrosion
Résumé :	To simulate the corrosion of galvanized steel in a marine zone, steel rust of β-FeOOH particles was prepared by aerial oxidation of aqueous FeCl2 solutions containing ZnCl2 and zinc rusts such as ZnO and zinc hydroxychloride (Zn5(OH)8Cl2·H2O, ZHC). The crystallinity and particle size of β-FeOOH were slightly decreased by adding the ZnC12. The produced particles contained a small amount of ZnCl2, while the zinc rusts of ZnO and ZHC markedly impeded the crystallization and particle growth of β-FeOOH. In the presence of a large amount of zinc rusts, the formation of β-FeOOH was suppressed and γ-FeOOH and ZHC of which the particle size was larger than that of β-FeOOH were generated. The inhibitory effect on the formation of β-FeOOH was on order of ZHC ≈ ZnO ≫ ZnCl2. The effect of zinc rusts was ascribed to the increment of solution pH by dissolution of rust particles and adsorption of Zn(II) on a precursor of β-FeOOH particles. The adsorption of CO2 on the products was also suppressed by the addition of ZnCl2 and zinc rusts. These results imply that the β-FeOOH rust formed on galvanized steel in a marine environment is more compact, leading to improved corrosion resistance. However, existence of a large amount of zinc rust particles inhibits the formation of a compact rust layer and lowers the ability for corrosion resistance.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476468

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 240–247

Titre :	Synthesis and Characterization of Alkali-Soluble Hyperbranched Photosensitive Polysiloxane Urethane Acrylate
Type de document :	texte imprimé
Auteurs :	Fang Sun, Auteur ; Xiaokang Liu, Auteur ; Lu Zhang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 240–247
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Soluble Photosensitive Polysiloxane
Résumé :	A novel alkali-soluble hyperbranched photosensitive polysiloxane urethane acrylate (AHBPSUA) was synthesized by using hyperbranched polyesters, hydroxyl-terminated polysiloxane, dimethylolpropionic acid, isophorone diisocyanate, and 2-hydroxyethyl acrylate as raw materials, and its structure was characterized by Fourier transform infrared spectroscopy, gel permeation chromatography, and 1H nuclear magnetic resonance spectroscopy. It was found that AHBPSUA possessed good compatibility with a number of acrylate monomers. The effect of photoinitiators and monomers on the photopolymerization kinetics of AHBPSUA was investigated by real-time infrared spectroscopy (RT-IR). The results showed that AHBPSUA could rapidly photopolymerize under UV irradiation in the presence of a photoinitiator and the optimal concentration of the photoinitiator (Darocur 1173) was determined as 0.1 wt %. The resin of AHBPSUA with common acrylic monomers exhibited a high polymerization rate and double-bond conversion and could form a regular image under UV irradiation through a patterned mask. The AHBPSUA system could dissolve in 1 wt % sodium carbonate solution easily and completely, and the cured coating film of the AHBPSUA system possessed excellent flexibility, toughness, and heat resistance.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201095n

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 232-239

Titre :	Attenuation of UV Light in Large-Scale Sonophotocatalytic Reactors : The Effects of Ultrasound Irradiation and TiO2 Concentration
Type de document :	texte imprimé
Auteurs :	Younggyu Son, Auteur ; Myunghee Lim, Auteur ; Jeehyeong Khim, Auteur
Année de publication :	2012
Article en page(s) :	pp. 232-239
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Titanium oxide Ultrasound Reactor Ultraviolet radiation Selfpurification
Résumé :	The photocatalytic process is considered as one of the advanced oxidation processes (AOPs) for the degradation/ mineralization of pollutants, and it is known that ultrasound can significantly enhance these reactions when combined with photocatalytic processes. However little is known about the design parameters of these AOPs for industrial use. In this study, the attenuation of UV light under various conditions including ultrasound irradiation (36 and 935 kHz) and photocatalytic particle concentrations (TiO2: 0 to 100 mg/L) was investigated in a large-scale reactor. In addition, hydroxyl radical-induced oxidation in each process was compared using KI dosimetry. It was found that UV light was attenuated significantly due to the presence of dispersed particles and ultrasonic waves. The effective irradiation radius of UV light using a commercial module was determined to be with less than 10 cm considering the hydroxyl radical-induced activity in the combined processes. The results from this study may be useful to design large-scale UV-light-based AOPs for the removal of organic contaminants from an aqueous environment.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476466

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 225-231

Titre :	Silica - supported tin oxides as heterogeneous acid catalysts for transesterification of soybean oil with methanol
Type de document :	texte imprimé
Auteurs :	Wenlei Xie, Auteur ; Hongyan Wang, Auteur ; Li, Hui, Auteur
Année de publication :	2012
Article en page(s) :	pp. 225-231
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Transesterification Acid catalysis
Résumé :	In this work, the SnO2/SiO2 materials with various Sn loadings ranging from 1 to 16 wt % were prepared and used as heterogeneous acid catalysts for soybean oil transesterification to produce biodiesel. The catalyst with 8 wt % Sn loading and calcined at 873 K exhibited the best catalytic activity, giving an oil conversion of 81.7%. The dispersed amorphous SnO2 species on the silica surface are considered to be active sites for the transesterification reaction. The effect of reaction parameters such as catalyst amount, reaction temperature, reaction time, and methanol-to-oil ratio was investigated to optimize the transesterification conditions. It is shown that the free fatty acid (FFA) and water have no significant influence on the catalytic activity to the transesterification reaction. In addition, the heterogeneous acid catalyst was found to have high activities toward the esterification of FFAs. Furthermore, the catalyst could be recovered with a better reusability.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476465

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 218-224

Titre :	Enhanced visible - light photoelectrocatalytic degradation of organic contaminants at iodine - doped titanium dioxide film electrode
Type de document :	texte imprimé
Auteurs :	Dongting Wang, Auteur ; Xin Li, Auteur ; Jianfeng Chen, Auteur
Année de publication :	2012
Article en page(s) :	pp. 218-224
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Electrodes Pollution Photocatalysis Electrocatalysis Visible radiation
Résumé :	For the sake of effectively utilizing visible light of the solar spectrum in photoelectrocatalytic (PEC) degradation of organic contaminants, iodine-doped TiO2 nanocrystallites (I-TNCs) film electrodes with extended response to visible light and mesoporous nanocrystalline framework were fabricated and subsequently characterized by scanning electronic microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and diffuse reflectance spectrum (DRS). The PEC activity of the film electrodes was evaluated by the degradation of rhodamine B (RhB) and 1-naphthol (1-NP) in aqueous solution at ambient conditions under visible irradiation. Under an optimized I/Ti doping ratio of 2.5 mol %, the PEC performance of the film electrode based on I-TNCs is significantly better, with the RhB degradation efficiency of 92%, which was nearly 2-fold faster than that of the film electrode based on undoped TNCs. In comparison with photocatalytic (PC) process and electrochemical (EC) process, a significant synergetic effect was observed in the PEC degradation oforganic contaminants. The main degraded products of 1-NP were further analyzed by GC-MS and ca. 70% of TOC removal was obtained.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476464

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 213–217

Titre :	Dry Regenerable Metal Oxide Sorbents for SO2 Removal from Flue Gases. 3. Long-Term Durability
Type de document :	texte imprimé
Auteurs :	Vasudeo S. Gasvaskar, Auteur ; Javad Abbasian, Auteur
Année de publication :	2012
Article en page(s) :	pp. 213–217
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Metal oxide Flue gases
Résumé :	The modified expanding grain model, presented in the part-2 of this series of papers, is extended to describe the sorbent behavior in a long-term cyclic process using the experimental data obtained in a 25-cycle sulfation/regeneration test. The model extension uses one adjustable parameter to describe the changes in the diffusional resistances occurring within the sorbent particle to predict the behavior of the sorbent undergoing an extended cyclic process. The model suggests that during the cyclic process, because of the cracks and fissures developing within the product layer of the grain, the product layer porosity and the product layer diffusivity of the grain as well as the tortuosity parameter gradually increase, resulting in lower intergrain diffusivity and lower overall sorbent reactivity. The model was used to predict the long-term performance of the sorbent to estimate the fresh sorbent makeup rate in the regenerative copper-oxide process. The results indicate that the sorbent makeup rate generally correspond to a useful sorbent life of higher than two years, but is highly sensitive to the slope of the extrapolation line for the sorbent deactivation.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201974s

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 202–212

Titre :	Low - temperature selective catalytic reduction of NOx with NH3 over Fe – Mn mixed - oxide catalysts containing Fe3Mn3O8 phase
Type de document :	texte imprimé
Auteurs :	Zhihang Chen, Auteur ; Furong Wang, Auteur ; Hua Li, Auteur
Année de publication :	2012
Article en page(s) :	pp. 202–212
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Catalytic reduction Oxide
Résumé :	Novel Fe–Mn mixed-oxide catalysts were prepared for the low-temperature selective catalytic reduction (SCR) of NOx with ammonia in the presence of excess oxygen. It was found that Fe(0.4)–MnOx catalyst showed the highest activity, yielding 98.8% NOx conversion and 100% selectivity of N2 at 120 °C at a space velocity of 30 000 h–1. XRD results suggested that a new crystal phase of Fe3Mn3O8 was formed in the Fe–MnOx catalysts. TPR and Raman data showed that there was a strong interaction between the iron oxide and manganese oxide, which is responsible for the formation of the active center―Fe3Mn3O8. Intensive analysis of fresh, used, and regenerated catalysts by XPS revealed that electron transfer between Fen+ and Mnn+ ions in Fe3Mn3O8 may account for the long lifetime of the Fe(0.4)–MnOx catalyst. In addition, the SCR activity was suppressed a little in the presence of SO2 and H2O, but it was reversible after their removal.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201894c

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 189-201

Titre :	Modeling of a liquid - liquid - solid heterogeneous reaction system : Model system and peroxyvaleric acid
Type de document :	texte imprimé
Auteurs :	Sébastien Leveneur, Auteur ; Cesar A. De Araujo Filho, Auteur ; Estel Lionel, Auteur
Année de publication :	2012
Article en page(s) :	pp. 189-201
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Heterogeneous reaction Modeling
Résumé :	A mathematical model was developed to interpret a liquid―liquid―solid heterogeneous reaction system using valeric acid (pentanoic acid) perhydrolysis as model. Kinetic, thermodynamic, and mass transfer parameters were included in this model. Perhydrolysis of valeric acid (pentanoic acid) on Amberlite IR-120 catalyst experiments were carried out in the temperature range of 40―60 °C and with an initial valeric acid concentration of 50 wt %. The influence of water and the acid catalyst was taken into account to develop a suitable kinetic model. The thermodynamic parameters, such as the reaction enthalpy (ΔH0R) and the molar equilibrium ratio (m) were determined experimentally. The kinetic parameters were determined by nonlinear regression analysis and they were statistically well-identified. The standard reaction enthalpy was estimated to ―13.84 kJ•mol―1 and the activation energy of the reaction was estimated to 64.5 kJ•mol―1
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476461

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 184–188

Titre :	Generation of hydrogen gas during the catalytic oxidation of sodium lignosulfonate to vanillin : Initial results
Type de document :	texte imprimé
Auteurs :	Ping Ding, Auteur ; Mark Garrett, Auteur ; Oystein Loe, Auteur
Année de publication :	2012
Article en page(s) :	pp. 184–188
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Hasydrogen gaz Oxidation
Résumé :	The production of vanillin from sodium lignosulfonate under highly alkaline conditions, catalyzed by Cu2+ and at elevated temperature and pressures, has been studied in two sizes of stirred reactors. The larger reactor (3 L) was operated in both the dead end and the gas throughflow modes; the sparged gas was nitrogen and “simulated air” in the former case and air in the latter. The smaller reactor (300 mL) was only operated in the batch mode with oxygen. In the 3 L reactor, with nitrogen gas alone in the dead end mode, vanillin was produced by hydrolysis. With the other conditions, both hydrolysis and oxidation occurred and the amount of vanillin produced was greater. In addition, for the first time since this process was first introduced in 1936, the composition of the gas phase produced by the reaction was investigated, too. The measurements were made on samples taken from the headspace of the 300 mL batch reactor and the headspace of the 3 L reactor in the dead end mode and in the exhaust gases in the throughflow mode. It was found that, whenever vanillin was produced, hydrogen was detected in the gas phase. In the 3 L reactor in the dead end mode, the amount of H2 formed was so great (7% by volume) in the case of “simulated air” that the production of vanillin ceased as no further air (oxygen) was able to enter the reactor. In the throughflow mode, the concentration of hydrogen detected in the exit gas was much lower as it was flushed out in the exhaust. As a result of the different levels of oxygen and hydrogen in the reactor in the dead end and throughflow modes, the amount of vanillin produced was greater in the latter case. Thus, it is difficult to use studies in the dead end mode to predict the behavior in throughflow, the mode generally used industrially.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201607t

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 171–183

Titre :	Kinetics of toluene disproportionation : Modeling and experiments
Type de document :	texte imprimé
Auteurs :	Marcos W. N. Lobao, Auteur ; André L. Alberton, Auteur ; Silvio A. B. V. Melo, Auteur
Année de publication :	2012
Article en page(s) :	pp. 171–183
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Kinetics Modeling
Résumé :	This work presents modeling and experimental studies on the kinetics of toluene disproportionation in operation ranges that include real industrial operation conditions. The influence of reaction temperature, reactor pressure, feed composition, and residence time on conversion of reactants and product selectivity was investigated. Experiments were performed according to a sequential experimental design strategy, in order to provide maximum accuracy for model predictions. Statistical treatment of parameter estimates and model adequacy was performed with the help of maximum likelihood principles. Excellent agreement between model predictions and available experimental data was obtained in the full ranges of investigated experimental conditions.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2015526

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 158–170

Titre :	Detailed reaction kinetics for the dehydrogenation of methylcyclohexane over Pt catalyst
Type de document :	texte imprimé
Auteurs :	Muhammad Usman, Auteur ; David Cresswell, Auteur ; Arthur Garforth, Auteur
Année de publication :	2012
Article en page(s) :	pp. 158–170
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Kinetics
Résumé :	Detailed reaction kinetics of the dehydrogenation of methylcyclohexane were studied over an in-house-prepared 1.0 wt % Pt/γ-Al2O3 catalyst. Experiments were conducted in a fixed-bed reactor for a wide range of operating conditions including reactions without hydrogen in the feed. Kinetic model equations were developed, and the experimental data were analyzed according to the power-law, Langmuir–Hinshelwood–Hougen–Watson (LHHW), and Horiuti–Polanyi kinetic mechanisms. The rate of loss of the first hydrogen molecule in the LHHW single-site surface reaction mechanism was found to be the rate-controlling step. Experiments with 1-methylcyclohexene confirmed that the rate-controlling step does not lie after the loss of the first hydrogen molecule.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201539v

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 147–157

Titre :	Kinetic study and optimization of oxidative desulfurization of benzothiophene using mesoporous titanium silicate - 1 catalyst
Type de document :	texte imprimé
Auteurs :	Aryav Sengupta, Auteur ; Prashant D. Kamble, Auteur ; Jayanta Kumar Basu, Auteur
Année de publication :	2012
Article en page(s) :	pp. 147–157
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Kinetic Optimization Mesoporous
Résumé :	The oxidative desulfurization (ODS) of benzothiophene (BT) in isooctane as a model fuel with 30% aqueous H2O2 was studied using three different titanium silicate (TS) zeolites, synthesized mesoporous TS-1, synthesized mesoporous titanium beta, and commercial TS-1 catalyst, which were found to give 85.6, 45.74, and 25.31% conversions, respectively. Therefore, mesoporous TS-1 was selected as the catalyst for ODS of BT. Reaction time, temperature, catalyst loading, and molar ratio of H2O2:S were selected as the pertinent parameters for the optimization of conversion based on the Box–Behnken design. The predicted maximum conversion was observed to be 89.9% at a temperature of 60 °C, catalyst loading of 0.064 g, and mole ratio of BT and H2O2 of 0.209. An empirical kinetic model was used to fit the rate data. The activation energy was found to be 25.20 kJ/mol.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2024068

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 140–146

Titre :	Kinetic models for upgrading athabasca bitumen using unsupported NiWMo catalysts at low severity conditions
Type de document :	texte imprimé
Auteurs :	Carmen E. Galarraga, Auteur ; Carlos Scott, Auteur ; Herbert Loria, Auteur
Année de publication :	2012
Article en page(s) :	pp. 140–146
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Kinetic Catalysts
Résumé :	Typically, the catalytic upgrading of heavy fractions (VGO and VR) has been studied using mostly conventional supported catalysts at temperatures and pressures higher than 400 °C and 6 MPa, respectively. This work focuses on the upgrading of heavy oils at much lower severity conditions using dispersed NiWMo catalysts for processing whole oil with no fractionation. A kinetic study was developed to determine parameters from experimental data obtained at temperatures of 320–380 °C and reaction times from 3 to 70 h at a total hydrogen pressure of 3.45 MPa and a stirring speed of 500 rpm in a batch reactor. The conversion, estimated as the reduction of the residue 545 °C+ fraction, was fitted for a first-order reaction with an apparent activation energy of 200 kJ mol–1. Two kinetic models are proposed to predict the conversion of the residue fraction and its product distribution. Comparison between experimental data and predictions using the proposed models exhibited good agreement with average absolute errors lower than 5%.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201202b

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 133-139

Titre :	Fractionating pentosans and hexosans in hybrid poplar
Type de document :	texte imprimé
Auteurs :	Chunhui Zhang, Auteur ; Troy Runge, Auteur
Année de publication :	2012
Article en page(s) :	pp. 133-139
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Pentosans Hexosans
Résumé :	In this paper, a study on the fractionation of pentosans and hexosans from poplar chips was performed using a circulation reactor. The study's methodology created kinetic models of both pentosan and hexosan hydrolysis/degradation to predict the fractionation yield of both substances. The conditions were varied to include a temperature range of 140―170 °C, a sulfuric acid concentration range of 0.1-0.9 wt %, and a constant liquor-to-wood ratio of 6:1. The yields of both substances were favored at high acid concentration and temperature, with pentosan being considerably more reactive. Under optimal conditions, 91% of pentosan (as monomers, oligmers, and degradation products) could be recovered, with more than 93% of hexosan retained in the solids. This study demonstrates that pentosans and hexosans may be fractionated from this biomass using acid hydrolysis, which will enable further processing of relatively homogeneous saccharide streams to create fuels or chemicals.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476455

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 126-132

Titre :	Asymmetric hydrogenation of nonfunctionalized olefins in propylene carbonate — kinetic or thermodynami control?
Type de document :	texte imprimé
Auteurs :	Sergey P. Verevkin, Auteur ; Vladimir N. Emel'yanenko, Auteur
Année de publication :	2012
Article en page(s) :	pp. 126-132
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Kinetics Hydrogenation
Résumé :	Iridium-catalyzed hydrogenations of nonfunctionalized olefins in propylene carbonate as the solvent allow efficient catalysis with much higher enantioselectivities in comparison with dichloromethane which is usually employed for these reactions. Experimental and computational studies of the hydrogenation of 1-methylene-1,2,3,4-tetrahydronaphthalene have been performed to understand the limitation for this reaction.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476454

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 119–125

Titre :	Heavy metals retention on recycled waste glass from solid wastes sorting operations : A comparative study among different metal species
Type de document :	texte imprimé
Auteurs :	Andrea Petrella, Auteur ; Mario Petrella, Auteur ; Giancarlo Boghetich, Auteur
Année de publication :	2012
Article en page(s) :	pp. 119–125
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Metals Porous glass
Résumé :	Heavy metals retention [Pb2+, Cd2+, Ni2+, and Cr(VI)] on recycled waste porous glass (RWPG) from solid wastes sorting operations was carried out. To the purpose metals containing solutions in the concentration range 2–4 mg/L, reproducing the average concentration present in, e.g., solid waste leachate from landfills or industrial effluents, were percolated onto columns loaded with RWPG beads with particle size in the range 0.35–1.0 mm and flow-rates between 0.23 and 0.75 L/h. Metals retention mechanism was associated with ion exchange with overall capacities in the following order: Pb2+ > Cd2+ > Ni2+ > Cr(VI) in consideration of the hydrated ion radius and free energy of hydration of the metal ions. The rate controlling step was identified with the ions interdiffusion in the Nernst liquid film around particles. The metals exhausted beads were embedded into cement conglomerates as inert materials thus minimizing metals release in the environment. The prepared mortar specimen showed improved thermal properties as compared to conventional (sand based) composites.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie202207d

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 111-118

Titre :	Development of electrochemical method for the determination of chlorzoxazone drug and its analytical applications to pharmaceutical dosage form and human biological fluids
Type de document :	texte imprimé
Auteurs :	Jyothi C. Abbar, Auteur ; Sharanappa T. Nandibewoor, Auteur
Année de publication :	2012
Article en page(s) :	pp. 111-118
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Human Electrochemical method
Résumé :	The electrochemical behavior of chlorzoxazone drug at glassy carbon electrode has been investigated for the first time using cyclic and square wave voltammetric techniques. The dependence of the current on pH, concentration, and scan rate was investigated to optimize the experimental conditions for determination ofchlorzoxazone. The anodic peak was characterized and the process was diffusion-controlled. The number of electrons transferred in the oxidation process was calculated and a plausible oxidation mechanism was proposed. In the range of 8.0 x 10―7 to 1.0 x 10―5 M, the current measured by square wave voltammetry presents a good linear property as a function of the concentration of chlorzoxazone with a detection limit of 4.41 x 10―8 M with good selectivity and sensitivity. The proposed method was successfully applied to chlorzoxazone determination under physiological condition in pharmaceutical samples and for the detection of chlorzoxazone in human biological fluids. This method can be employed in clinical analysis, quality control, and routine determination of drugs in pharmaceutical formulations.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476452

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 103–110

Titre :	Novel method for production of phenolics by combining lignin extraction with lignin depolymerization in aqueous ethanol
Type de document :	texte imprimé
Auteurs :	Yueyuan Ye, Auteur ; Yu Zhang, Auteur ; Juan Fan, Auteur
Année de publication :	2012
Article en page(s) :	pp. 103–110
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Phenolics Aqueous ethanol
Résumé :	A method for production of high-value-added phenolics by combining organosolv lignin extraction with lignin hydrothermal depolymerization without catalysts under mild conditions was successfully developed. During lignin extraction, the optimal ethanol concentration in mixed solvent is 65 vol %, with which 78% purity (based on Klason lignin) of crude lignin was obtained. High yield of liquid products up to 65.5% was recovered from lignin depolymerization under conditions of 523 K, 90 min, 65 vol % ethanol, and 3% lignin; meanwhile, only 17% solid residue was obtained. The gas chromatography–mass spectrometry (GC–MS) analyses of the obtained liquid products confirmed the presence of value-added phenolics, among which the yields of 4-ethylphenol, 4-vinylphenol, guaiacol, 4-ethylguaiacol, and 4-vinylguaiacol were very high (30% of the identified compounds). Gel permeation chromatography (GPC) and Fourier transform infrared (FT-IR) spectroscopy of these liquid products indicated that lignin was really depolymerized to low molecular weight compounds and that the cleavage of ether bonds and decarbonylation were the major reactions during lignin depolymerization.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie202118d

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 95–102

Titre :	Spectroscopic investigation on the interaction of pyrimidine derivative, 2 - amino - 6 - hydroxy - 4 - (3,4 - dimethoxyphenyl) - pyrimidine - 5 - carbonitrile with human serum albumin : Mechanistic and conformational study
Type de document :	texte imprimé
Auteurs :	Vishwas D. Suryawanshi, Auteur ; Prashant V. Anbhule, Auteur ; Anil H. Gore, Auteur
Année de publication :	2012
Article en page(s) :	pp. 95–102
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Spectroscopy Pyrimidine derivative
Résumé :	In the present study, fluorescence spectroscopy in combination with UV–vis absorption spectroscopy and synchronous fluorescence spectroscopy (SFS) was employed to investigate the binding affinity of pyrimidine derivative, 2-amino-6-hydroxy-4-(3,4-dimethoxyphenyl)-pyrimidine-5-carbonitrile (AHDMPPC) to human serum albumin (HSA) under the physiological conditions. In the mechanism discussion, it was proved that the fluorescence quenching of HSA by AHDMPPC is a result of the formation of AHDMPPC–HSA complex. The quenching mechanism and number of binding sites (n ≈ 1) were obtained by fluorescence titration data. Binding parameters calculated from Stern–Volmer method showed that the AHDMPPC bind to HSA with the binding affinities of the order 104 L mol–1. The thermodynamic parameters studies revealed that the binding was characterized by negative enthalpy and positive entropy changes −13.06 kJ/mol and 51.34 J/mol K–1 (from the Van’t Hoff equation) and suggest that the binding reaction was exothermic and hydrophobic interaction is the predominant intermolecular forces stabilizing the complex. The specific binding distance (r = 2.25 nm) between donor HSA and acceptor AHDMPPC was obtained according to fluorescence resonance energy transfer (FRET). Furthermore, the synchronous spectral result, three–dimensional fluorescence spectra and circular dichroism (CD) indicates that the secondary structure of HSA was changed in the presence of AHDMPPC.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie202005c

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 85-94

Titre :	Thermal properties of novel 9,10-Dihydro - 9 - oxa - 10 - phosphaphenanthrene 10 - oxide - based organic / inorganic hybrid materials prepared by sol – gel and UV - curing processes
Type de document :	texte imprimé
Auteurs :	Xiaodong Qian, Auteur ; Haifeng Pan, Auteur ; Wei Yi Xing, Auteur
Année de publication :	2012
Article en page(s) :	pp. 85-94
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Ultraviolet radiation Thermal properties
Résumé :	A novel liquid monomer (DOPO―VTS) containing 9,10-dihydro-9-oxa-10-phosphaphenanthrene 10-oxide (DOPO) and silicon was synthesized by allowing DOPO to react with vinyltrimethoxysilane (VTS). The DOPO-based organic/inorganic hybrid materials were prepared by the sol―gel and UV-curiug methods. The scanning electron microscope results showed that the inorganic substance exhibited good compatibility with the epoxy acrylate (EA) matrix. The high content of organic/inorganic networks contributes an excellent flame retardancy to epoxy acrylate, which can be confirmed by the limiting oxygen index and microscale combustion calorimeter results. The thermogravimetic analysis (TGA) data indicate that the EA/ DOPO-VTS hybrid materials possess higher thermal stability than that of pure EA at high temperature. From the direct pyrolysis/ mass (DP-MS) analysis, the organic/inorganic networks can play the role of radical trap, which would consume highly reactive hydrogen and hydroxy radicals during combustion. Besides, the dynamic FTIR and DP—MS were used to analyze the thermal degradation mechanism of the organic/inorganic hybrids.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476449

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 77–84

Titre :	Application of subcritical water for conversion of macroalgae to value - added materials
Type de document :	texte imprimé
Auteurs :	Somayeh Daneshvar, Auteur ; Feridoun Salak, Auteur ; Takasada Ishii, Auteur
Année de publication :	2012
Article en page(s) :	pp. 77–84
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Macroalgae
Résumé :	Subcritical water technology was used for treatment of Codium fragile (C. fragile) as a model for green macroalgae. Subcritical water reactions were carried out for 10 min at temperatures ranging from 100 to 240 °C. After reaction, three main phases were isolated: aqueous, residual solid, and hexane soluble phases. The aqueous phase showed a very high total organic carbon (TOC) content due to decomposition and solubilization of the cellulosic portion and other organic molecules of the algae. The main products identified in the aqueous phase were soluble sugars, derived from hydrolysis reactions. The production of other biobased compounds was also examined and several value-added compounds were identified. Investigation of the residual solid phase after treatment showed that with increasing subcritical water temperature, the amount of total residual solid declined and finally reached a constant amount at higher temperatures, attributed to the inorganic composition of the algae sample. The maximum inorganic composition of the sample was identified as approximately 36% based on dry matter. We also evaluated and compared the higher heating values (HHVs) of the residual solid residue and initial sample base on ultimate analysis. Finally, the hexane soluble content of this type of algae was found to be very low.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201743x

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 70-76

Titre :	Improved xylan hydrolysis of corn stover by deacetylation with high solids dilute acid pretreatment
Type de document :	texte imprimé
Auteurs :	Xiaowen Chen, Auteur ; Joseph Shekiro, Auteur ; Rick Elander, Auteur
Année de publication :	2012
Article en page(s) :	pp. 70-76
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Pretreatment Hydrolysis
Résumé :	To produce ethanol cost-effectively from herbaceous feedstocks such as com stover, efficient xylan hydrolysis with monomeric xylose yields approaching 90% are necessary. Dilute acid pretreatment is well established as one of the pretreatment technologies for xylan hydrolysis; however, the accumulation of salts from neutralization, the production of toxic byproducts, and the release of acetic acid can inhibit enzymatic saccharification and fermentation, resulting in depressed ethanol yields. Successful removal of acetyl groups from native com stover by alkali de-esterification could potentially increase monomeric xylose yields from pretreatment and enzymatic hydrolysis, improve cellulose digestibility, and reduce the cytotoxicity of the fermentation broth. Results presented in this article show that alkaline extraction removed significant amounts of acetyl groups from com stover, improved xylan hydrolysis in high solids dilute acid pretreatment by more than 50%, and improved xylan and glucan hydrolysis in low solids enzymatic hydrolysis by 15% and 30% over control samples. In whole slurry enzymatic hydrolysis, a 30% improvement in cellulose digestibility was found over the control.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476447

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 58–69

Titre :	Application of cellulose - clay composite biosorbent toward the effective adsorption and removal of chromium from industrial wastewater
Type de document :	texte imprimé
Auteurs :	A. Santhana Krishna Kumar, Auteur ; S. Kalidhasan, Auteur ; Vidya Rajesh, Auteur
Année de publication :	2012
Article en page(s) :	pp. 58–69
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Biosorbent Adsorption
Résumé :	Biopolymer composites are known for their utility in diverse applications. In this paper, we report an effective methodology for the detoxification of chromium using cellulose-montmorillonite composite material as the adsorbent. The interaction of surfactant modified sodium montmorillonite (NaMMT) with cellulose biopolymer is followed by the subsequent adsorption of Cr(VI) from aqueous solution as bichromate anion onto the surface of the biocomposite material. The composite adsorbent was characterized comprehensively using Fourier transform infrared spectroscopy (FT-IR), Energy dispersive X-ray spectrometry (EDX), X-ray diffraction (XRD) and Branauer-Emmett-Teller (BET) isotherm studies. The material exhibited a maximum adsorption capacity of 22.2 mg g–1 in accordance with the Langmuir isotherm model. The mesoporous nature of the material was ascertained from the nitrogen adsorption isotherm study and the adsorption process was in accordance with second order kinetics. The spontaneity of the adsorption process could be confirmed from the study of the adsorption thermodynamics. The composite material could be regenerated using sodium hydroxide as the eluent. The adsorbent could be reused with quantitative recovery for 10 adsorption–desorption cycles. An aqueous phase feed volume of 400 mL could be quantitatively treated by column method at 100 mg L–1 concentration of Cr(VI) with a preconcentration factor of 50. The applicability of the method is demonstrated in the quantitative removal of total chromium from a chrome tannery effluent sample.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201349h

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 50–57

Titre :	Natural adsorbents derived from tannin extracts for pharmaceutical removal in water
Type de document :	texte imprimé
Auteurs :	Jesus Beltran-Heredia, Auteur ; Patricia Palo, Auteur ; Jesus Sanchez-Martín, Auteur
Année de publication :	2012
Article en page(s) :	pp. 50–57
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Adsorbents
Résumé :	Novel adsorbents can be synthesized through tannin gelation, and they are effective agents for the removal of specific contaminants, for example the pharmaceutical species Trimethoprim. The current paper presents an optimization process for obtaining the best adsorbent from four tannin feedstock: Acacia mearnsii de Wild, Schinopsis balansae, Cupressus sempervivens, and Pinus pinaster bark extract. The cross-linking was undergone with formaldehyde and acetaldehyde, hence the type of aldehyde and its concentration in the gelation mixture were considered operative variables as well as the tannin source. The best categories resulted to be Cupressus sempervivens and Pinus pinaster with formaldehyde (3.68 mmol pure formaldehyde per g of of tannin extract) and Schinopsis balansae with diluted formaldehyde (1 mmol of pure formaldehyde per g of tannin extract). Tannin-derived rigid gels were very effective adsorbents for the removal of this dangerous pharmaceutical: trimethoprim, with maximum adsorption capacities even higher than 300 mg of trimethoprim per g of adsorbent.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201017t

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 44-49

Titre :	Study on separation and purification of genistein in the soybean residue using macroporous resin adsorption
Type de document :	texte imprimé
Auteurs :	Hua Li, Auteur ; Juan Liu, Auteur ; Li, Dan, Auteur
Année de publication :	2012
Article en page(s) :	pp. 44-49
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Adsorption Macroporosity Purification
Résumé :	Soybean residue is a rich byproduct that is discarded in soybean processing factories. In this research, soybean residue was used to prepare highly valued genistein by separation and purification through the combination ofisoelectric point precipitation, centrifugation, solvent extraction, and macroporous resin adsorption. The purification process had been studied in detail. The results showed that AB-8 resin, feathering high adsorption and desorption recovery, is a suitable resin for purifying genistein, and a optimized process for gradient elution was obtained: the extracts was sequentially eluted with deionized water, 20% ethanol, and 70% ethanol in the first process, and with 40% ethanol and 70% ethanol in the second process; the purity of genistein was about 90% by high-performance liquid chromatography (HPLC) analysis.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476444

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 30-43

Titre :	Electrochemical adsorption properties and inhibition of brass corrosion in natural seawater by thiadiazole derivatives : Experimental and theoretical investigation
Type de document :	texte imprimé
Auteurs :	Joseph Raj Xavier, Auteur ; S. Nanjundan, Auteur ; Nallaiyan Rajendran, Auteur
Année de publication :	2012
Article en page(s) :	pp. 30-43
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Seawater Corrosion Adsorption
Résumé :	The electrochemical behavior of brass in natural seawater in the absence and presence of thiadiazole derivatives, namely, 2-amino-5-(4-methoxyphenyl)-1,3,4-thiadiazole (AMOPTD), 2-amino-5-(4-methylphenyl)-1,3,4-thiadiazole (AMPTD), 2-amino-5-(4-pyridinyl)-1,3,4-thiadiazole (APTD), and 2-amino-5-(4-nitrophenyl)-1,3,4thiadiazole (ANPTD), has been investigated by electrochemical techniques such as potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). The optimum concentration of the studied inhibitors showing the highest inhibition efficiency was also evaluated at five different temperatures in the range between 303 and 343 K. The inhibition efficiency was found to increase with increase in concentration of the inhibitors but decrease with rise in temperature for all the studied inhibitors except ANPTD. Thermodynamic and kinetic parameters for the adsorption process were determined. Quantum chemical approach was further used to calculate some electronic properties of the molecule in order to confirm any correlation between the inhibitive effect and molecular structure of the studied inhibitors. Inductively coupled plasma atomic emission spectroscopy (ICP-AES) analysis confirms that dezincification was minimized to a greater extent in the presence of the investigated inhibitors. Scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDS), and Fourier transform infrared spectroscopy (FT-IR) observations of the brass surface confirmed the existence of such an adsorbed film.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476443

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 1-29

Titre :	Fluid catalytic cracking (FCC) process modeling, simulation, and control
Type de document :	texte imprimé
Auteurs :	Carla I. C. Pinheiro, Auteur ; Joana L. Fernandes, Auteur ; Luís Domingues, Auteur
Année de publication :	2012
Article en page(s) :	pp. 1-29
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Modeling Fluid catalytic cracking
Résumé :	This paper focuses on the fluid catalytic cracking (FCC) process and reviews recent developments in its modeling, monitoring, control, and optimization. This challenging process exhibits complex behavior, requiring detailed models to express the nonlinear effects and extensive interactions between input and control variables that are observed in industrial practice. The FCC models currently available differ enormously in terms of their scope, level of detail, modeling hypothesis, and solution approaches used. Nevertheless, significant benefits from their effective use in various routine tasks are starting to be widely recognized by the industry. To help improve the existing modeling approaches, this review describes and compares the different mathematical frameworks that have been applied in the modeling, simulation, control, and optimization of this key downstream unit. Given the effects that perturbations in the feedstock quality and other unit disturbances might have, especially when associated with frequent changes in market demand, this paper also demonstrates the importance of understanding the nonlinear behavior of the FCC process. The incentives associated with the use of advanced model-based supervision strategies, such as nonlinear model predictive control and real-time optimization techniques, are also presented and discussed.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25476442

Industrial & engineering chemistry research / Paul, Donald R. . Vol. 51 N° 1

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