Catalogue en ligne Bibliothèque Ecole Nationale Polytechnique d'Alger

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4212-4215 [

Titre :	A simple method for preparing the highly dispersed supported Co3O4 on silica support
Type de document :	texte imprimé
Auteurs :	Jianfeng Chen, Auteur ; Yurui Zhang, Auteur ; Li Tan, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4212-4215 [
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	silica Metal catalyst
Résumé :	A novel, simple, and general method for preparing a highly dispersed supported metal catalyst was developed by modification of a silica surface with ethylene glycol (EG) before the impregnation of cobalt precursors. The modified surface of the silica support significantly improved the dispersion of supported cobalt oxide and formed more Co3+ species on the surface of Co3O4 particles, resulting in very high catalytic activity in CO oxidation. The obtained catalysts were characterized by XRD, TEM, and XPS.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1022749

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4207-4211

Titre :	Contact angle of bubble with an immersed-in-water particle of different materials
Type de document :	texte imprimé
Auteurs :	Przemyslaw B. Kowalczuk, Auteur ; Jan Drzymala, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4207-4211
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Bubble Contact angle
Résumé :	Advancing and relaxed contact angles of different materials in the air bubble/distilled water/solid particle system were determined utilizing flotation experiments performed in a single-bubble Hallimond microflotation cell, appropriate equations based on the balance of forces taking part in the flotation process, and a cell constant representing flotation hydrodynamics.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027669

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4199-4206

Titre :	Temperature responsive gels based on pluronic F127 and poly(vinyl alcohol)
Type de document :	texte imprimé
Auteurs :	Maria Bercea, Auteur ; Raluca Nicoleta Darie, Auteur ; Loredana Elena Nita, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4199-4206
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Pluronic Vinyl alcohol
Résumé :	Aqueous mixtures of Pluronic F127 and poly(vinyl alcohol) (20% polymer concentration in the system) were prepared and investigated by rheology and laser particle size distribution, in order to obtain temperature responsive gels for biomedical applications. The influence of the gelation conditions and system composition on the viscoelastic parameters and particle size distribution (which are very sensitive to the sol―gel transition process) was followed. The investigations realized at physiological temperature (37 °C) showed the thixotropic profile of the gels, the yield stress induced by the Pluronic presence, and the high elasticity evidenced in the creep-recovery tests.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1024408

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4183–4198

Titre :	Hybridizing SAFT and cubic EOS : what can be achieved?
Type de document :	texte imprimé
Auteurs :	Ilya Polishuk, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4183–4198
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Hybridizing
Résumé :	This study deals with creating a concept of the hybrid model gathering the advantages of both cubic EOS and SAFT approaches. The proposed idea is a revision of the Chapman’s et al. SAFT by addressing the problem of its numerical pitfalls and the issue of the space available for dispersive interactions with further attaching the SAFT part by the cubic EOS’s cohesive term. It is demonstrated that the resulting model on one hand preserves the characteristic for SAFT accuracy in estimating the liquid compressibility, and on the other one − the characteristic for cubic equations capability of simultaneous modeling of critical and subcritical data. Moreover, on the basis of the comprehensive set of thermodynamic properties of 8 challenging for modeling compounds (including n-hexatriacontane, water, and methanol) it has been demonstrated that the proposed EOS has a superiority comparing even to one of the most successful versions of SAFT such as the SAFT-VR-Mie.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102420n

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4177–4182

Titre :	Fatty acid alkyl esters as solvents : evaluation of the kauri-butanol value. comparison to hydrocarbons, dimethyl diesters, and other oxygenates
Type de document :	texte imprimé
Auteurs :	Gerhard Knothe, Auteur ; Kevin R. Steidley, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4177–4182
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Hydrocarbons Biodiesel
Résumé :	Esters, most commonly methyl esters, of vegetable oils or animal fats or other lipid feedstocks have found increasing use as an alternative diesel fuel known as biodiesel. However, biodiesel also has good solvent properties, a feature rendered additionally attractive by its biodegradability, low toxicity, and low content of volatile organic compounds. The kauri-butanol (KB) value is a parameter used for describing the solvent strength of a liquid. In this work, the KB values of individual fatty acid alkyl esters were determined. The KB values of fatty esters depend on chain length, including the alcohol moiety, and unsaturation, a phenomenon observed similarly in hydrocarbons. The KB values of fatty acid methyl esters range from well over 100 for short-chain esters to the 40−60 range for C18 esters with a maximum being attained for methyl esters of C4−C5 acids. For the sake of comparison, the KB values of dimethyl diesters and hydrocarbons (alkanes) were also determined as well as those of some standard solvents. Compounds with eight carbons were selected to compare the influence of various functional groups on solvent strength as documented by the KB value. KB values can be determined with good accuracy by reducing the amount of KB solution from 20 to 5 g, thus using correspondingly less solvent sample.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1023172

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4166–4176

Titre :	Development of single insertion probability for equation of state applicable to three phases of matter
Type de document :	texte imprimé
Auteurs :	Ju Ho Lee, Auteur ; Moon Sam Shin, Auteur ; Ki-Pung Yoo, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4166–4176
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Analytic equation Solid fluid
Résumé :	We present an analytic equation of state (EOS) that describes the three phases of real substances and their transition in a single isotherm. To develop the repulsive contribution of the EOS for the solid−fluid transition, we reinterpret Alder’s correlated-cell model (Alder et al. Phys. Rev. Lett.1963, 11 (6), 241) in terms of insertion probability and propose a simple mathematical function for insertion probability which approximately follows that of the correlated cell model. The resulting EOS was found to describe the solid−fluid phase transition of hard-sphere fluids qualitatively, avoiding the solid−fluid critical transition. To extend the model to the solid−vapor and solid−liquid phase transitions, we added the van der Waals attractive contribution to the EOS and tested the combined EOS against the equilibrium properties of eight substances ranging from simple gases to organic compounds. Calculation results show that for eight substances the combined model with four parameters closely reproduces the saturated vapor pressure, predicts the sublimation pressure reasonably, but underestimates the melting pressure, which results from the repulsive contribution of the EOS.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101853s

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp.4161–4165

Titre :	Extension of the simple equations for prediction of the properties of mixed electrolyte solutions to the mixed ionic liquid solutions
Type de document :	texte imprimé
Auteurs :	Yu-Feng Hu, Auteur ; Hong-Da Chu, Auteur ; Ji-Guang Li, Auteur
Année de publication :	2011
Article en page(s) :	pp.4161–4165
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Electrolyte
Résumé :	The simple equations for predictions of the density, viscosity, and conductivity of mixed electrolyte solutions were extended to the related properties of mixed ionic liquid solutions. The densities, viscosities, and conductivities were measured for the ternary solutions [C4mim]Cl (1-butyl-3-methylimidazolium chloride) + [C4mim]Br (1- butyl-3-methylimidazolium bromide) + H2O and [C6mim]Cl (1-hexyl-3-methylimidazolium chloride) + [C6mim]Br (1-hexyl-3-methylimidazolium bromide) + H2O and their binary subsystems [C4mim]Cl + H2O, [C4mim]Br + H2O, [C6mim]Cl + H2O, and [C6mim]Br + H2O at (293.15, 298.15, and 308.15) K, respectively. The results were used to test the predictability of the extended equations. The comparison results show that these simple equations can be used to predict the density, viscosity, and conductivity of the mixed ionic liquid solutions from the properties of their binary subsystems of equal ionic strength.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1022496

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4150–4160

Titre :	Novel method to determine accessible volume, area, and pore size distribution of activated carbon
Type de document :	texte imprimé
Auteurs :	L. F. Herrera, Auteur ; Chunyan Fan, Auteur ; D. D. Do, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4150–4160
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Activated carbon
Résumé :	We present a new procedure to determine the geometric area, accessible pore volume, and pore size distribution of activated carbon, and we test this with a detailed computer simulation study of a number of porous solid models. For these model adsorbents with known atom configurations, we determine the “intrinsic” accessible volume, the surface area, and pore size distribution using the Monte Carlo integration method proposed by Herrera et al. (Herrera, L.; Do, D. D.; Nicholson, D. A Monte Carlo integration method to determine accessible volume, accessible surface area and its fractal dimension. J. Colloid Interface Sci.2010, 348 (2), 529−536). The inverse problem postulates that the theoretical adsorption isotherm is a linear combination of local isotherms, and matches the theoretical isotherm to the “computer-experimental” adsorption isotherm. The results suggest that this method is a promising tool to determine structural parameters of a porous solid. As a corollary, we propose a definition for the absolute isotherm as an alternative to the excess isotherm used in the literature.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102169u

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4140–4149

Titre :	Local momentum transfer process in a wall region of an agitated vessel equipped with an eccentric impeller
Type de document :	texte imprimé
Auteurs :	Magdalena Cudak, Auteur ; Joanna Karcz, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4140–4149
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Résumé :	The results of the experimental studies of local momentum transfer process in the region of the cylindrical wall of an agitated vessel equipped with an eccentric axial flow impeller are presented. The data for eccentrically located impellers both, propeller and HE 3 impeller, differing in the operating liquid pumping mode were compared. In total, 5120 experimental points for both impellers were obtained on the basis of the electrochemical experiments for each of the tested impeller. Axial and angular distributions of the shear rate and friction coefficient in the agitated vessel without baffles were found within the turbulent regime of the Newtonian liquid flow. Local shear stress, dynamic velocity and energy dissipated were also identified in this region of the wall. The results of the study show that the profiles of the transport coefficients depend strongly on the eccentricity e/R, axial and angular coordinates, liquid circulation imposed by axial flow impeller, and liquid turbulence in the agitated vessel. The distributions of the quantities which describe momentum transfer process in the region of the cylindrical wall of the agitated vessel as the function of the e/R, z/H, φ/2π, and Re number were approximated mathematically for both impellers by means of eqs 6−9. Averaged values of the local quantities, obtained as a result of the numerical integration, were described by means eqs 12−17. The eqs 6−9 and 12−17 have no equivalent in the open literature concerning this subject.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101977y

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4133-4139

Titre :	Fluid behavior of woody biomass slurry during hydrothermal treatment
Type de document :	texte imprimé
Auteurs :	Nousuke Kobayashi, Auteur ; Nobuhiko Okada, Auteur ; Yasuhiro Tanabe, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4133-4139
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Hydrothermal treatment Biomass
Résumé :	Hydrothermal experiment of woody biomass was carried out in an autoclave, and a property change of the woody slurry associated with hydrothermal reaction was analyzed. The reaction conditions, such as reaction temperature, reaction period, and slurry concentration, were varied in this experiment, and the effect of the hydrothermal conditions on the slurry characteristics was evaluated. To evaluate the property change of the woody slurry, apparent viscosity, particle size, pH, and ξ potential measurements of the hydrothermally influenced slurry were conducted. The fluid resistance of the slurry during hydrothermal experiment was also measured with an autoclave reactor. With application of hydrothermal treatment on a woody slurry, significant change of the slurry property was observed. The particle size decreased during hydrothermal experiment with increasing reaction temperature, and this particle size change influenced the slurry behavior. Due to the particle size reduction, the apparent viscosity of the treated slurry became smaller, and the treated slurry showed strong pseudoplastic fluid behavior. With a longer reaction period, the particle size was getting smaller by the hydrolysis reaction; however, particle size enlargement caused by a swelling and/or agglomeration occurred when the reactor's temperature started to increase. This particle size enlargement behavior at the beginning of the hydrothermal experiment increased the fluid resistance of the slurry significantly. pH value and the ξ potential value were also influenced by the hydrothermal treatment. pH and absolute ξ potential values dropped with increasing reaction temperature; however, the absolute ξ potential value of the slurry reversely increased when the reaction temperature was over 523 K. The increment of carboxyl radical on the surface of the reacted particle changed particle―particle and particle-solvent interactions.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027661

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4123-4132

Titre :	Retardation effect of basic nitrogen compounds on hydrocarbons catalytic cracking in coker gas oil and their structural identification
Type de document :	texte imprimé
Auteurs :	Ze-kun Li, Auteur ; Gang Wang, Auteur ; Quan Shi, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4123-4132
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Gas oil Catalytic cracking
Résumé :	The basic nitrogen compounds in coker gas oil (CGO) narrow fractions were enriched, and their influences on hydrocarbons during fluid catalytic cracking (FCC) were investigated. The results show that the content of basic nitrogen compounds has influence on hydrocarbons cracking during CGO FCC reaction, but it is not as obvious as reported before. Furthermore, the compositional and structural identification of basic extracts by positive-ion electrospray Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) shows that basic nitrogen compounds in CGO include N, N2, NO, N2O1, and NS class species. The N1 class species centered at 9 < DBE < 13 with a carbon number ranging from 20 to 24 is the most abundant, and it is a key for CGO's retarding performance. The effect of structure and composition of basic nitrogen compounds is much more obvious than that of content, and it is stronger with the increase of their rings plus double bond equivalence (DBE).
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027660

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4113-4122

Titre :	Application of discontinuous galerkin scheme to batch crystallization models
Type de document :	texte imprimé
Auteurs :	Shamsul Qamar, Auteur ; Iltaf Hussain, Auteur ; Andreas Seidel - Morgenstern, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4113-4122
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Modeling Crystallization Batchwise
Résumé :	A discontinuous Galerkin finite element method is proposed for solving batch crystallization models. The suggested method has the capability of capturing sharp discontinuities and narrow peaks of the crystal size distribution (CSD). The accuracy of the method can be improved by introducing additional nodes in the same solution element and, hence, avoids the expansion of mesh stencils which is normally observed in the high order finite volume schemes. For that reason, the method can be easily applied up to boundary cells without losing accuracy. The method is robust and well suited for large-scale time-dependent computations in which a high degree of accuracy is demanded. Several test cases are carried out in this paper. The numerical results verify the efficiency and accuracy of the proposed method.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027659

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4106–4112

Titre :	Preparation of ca-alginate microparticles and its application for phenylketonuria oral therapy
Type de document :	texte imprimé
Auteurs :	Yueling Zhang, Auteur ; Xingyuan Jia, Auteur ; Lianyan Wang, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4106–4112
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Microparticles
Résumé :	Lactococcus lactis-expressing phenylalanine ammonia-lyase (LLEP) has been used to treat one of the classic genetic diseases, phenylketonuria (PKU). However, the action of stomach fluid and short residence time of LLEP at the site of absorption become the “neck” for the oral administration of LLEP. To solve these problems, pH-sensitive Ca-alginate microparticles designed as an oral administration carrier were prepared by a spray-solidification method in this study. The spray conditions influenced the size of the Ca-alginate microparticles; thus, conditions were optimized to obtain microparticles with smaller particle size for oral administration to mice. Subsequently, LLEP was encapsulated into Ca-alginate microparticles and the activity retention of LLEP released from the microparticles was examined after the microparticles passed through simulated gastric fluid. The results showed that LLEP could be well protected against simulated gastric fluid and that the final activity retention was up to 92.9%. The effects of alginate concentration on the release profile in vitro and the encapsulation efficiency (EE) were studied, and the results revealed that the microparticles possessed the highest EE and a reasonable release rate when the alginate concentration was 1.0 wt %. This alginate concentration, combined with optimized spray conditions, was used to prepare LLEP-encapsulated microparticles, and they were administered orally to mice with phenylketonuria (PKU). Compared with the groups given blank microparticles and nonencapsulated LLEP, the increase of the blood phenylalanine (Phe) level was significantly slowed after a 7 day treatment with LLEP-encapsulated microparticles. Consequently, the Ca-alginate microparticle developed by the spray-solidification method is a promising carrier of LLEP for oral administration.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101973h

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4099-4105

Titre :	New group-interaction parameters of the UNIFAC model : aromatic carboxyl binaries
Type de document :	texte imprimé
Auteurs :	Weiping Luo, Auteur ; Qinbo Wang, Auteur ; Liqun Fu, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4099-4105
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Modeling Interaction parameter
Résumé :	The solubility of p-toluic acid (PTA) in acetic acid (HOAc) + water solvent mixtures was measured by a static method. The experimental temperature ranged from 303.2 to 363.2 K, and the mole traction of acetic acid in the solvent mixtures ranged from 0.546 to 1.000. Together with the available solid―liquid equilibrium (SLE) data for ternary systems of terephthalic acid (TPA) + HOAc + H2O and benzoic acid (BA) + HOAc + H2O, the interaction parameters of the new UNIFAC group ArCOOH, defined as an aromatic group (Ar) plus an (aromatic) carboxyl group (COOH), with an aliphatic carboxyl group (COOH), methyl group (CH3 and CH2), aromatic group (Ar), aromatic methyl group (ArCH3), and water are determined. By using the new defined group ArCOOH, the UNIFAC model predicted SLE data for the above three ternary systems agree with the experimentally determined results satisfactorily.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027657

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4086-4098

Titre :	Modeling surface tension of concentrated and mixed-solvent electrolyte systems
Type de document :	texte imprimé
Auteurs :	Peiming Wang, Auteur ; Andrzej Anderko, Auteur ; Robert D. Young, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4086-4098
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Electrolyte Mixed solvent Surface tension Modeling
Résumé :	A comprehensive model has been developed for calculating the surface tension of aqueous, nonaqueous, and mixed-solvent electrolyte systems ranging from dilute solutions to fused salts. The model consists of a correlation for computing the surface tension of solvent mixtures and an expression for the effect of electrolyte concentration. The dependence of surface tension on electrolyte concentration has been derived from the Gibbs equation combined with a modified Langmuir adsorption isotherm for modeling the surface excess of species. The model extends the Langmuir adsorption formalism by introducing the effects of binary interactions between solute species (ions or molecules) on the surface. This extension is especially important for high electrolyte concentrations and in strongly speciated systems. The surface tension of mixed solvents is calculated by utilizing the surface tensions of the constituent pure components together with an effective surface concentration, which is defined for each component and takes into account interactions between solvent molecules. This procedure has been shown to reproduce experimental data for a variety of mixtures. In particular, it accurately predicts the surface tension of temary solvent mixtures using parameters determined from only binary data. The surface tension model has been coupled with a previously developed thermodynamic equilibrium model to provide speciation and activity coefficients, which are necessary for electrolyte systems. This makes it possible to reproduce the effects of complexation or other reactions in solution. In all cases for which experimental data are available and have been tested, the new model has been shown to be accurate in reproducing surface tension over wide ranges of temperature and concentration. The average deviations between the calculated results and experimental data are 0.68% for binary solvent mixtures, 1.89% for ternary solvent mixtures, and 0.71% for salt solutions up to the solid saturation or pure solute limit.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027656

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4077-4085

Titre :	Liquid — vapor equilibrium data correlation : part I. pitfalls and some ideas to overcome them
Type de document :	texte imprimé
Auteurs :	A. Marcilla, Auteur ; M. M. Olaya, Auteur ; M. D. Serrano, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4077-4085
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Correlation analysis Correlation Phase equilibrium Liquid vapor equilibrium
Résumé :	Accurate description of VLE (and VLLE) plays an essential role in many industrial separation processes. Local composition models for the activity coefficient description, such as NRTL and UNIQUAC, have contributed significantly over the past four decades toward the fitting of experimental VLE data, for example, to the design of distillation towers. However, a critical examination of this field reveals that important deficiencies still exist due to the complex nature of the topic. In the present paper, these pitfalls are classified and discussed in detail, and some examples are selected to conveniently illustrate every one of them. We also comment on some aspects that could improve the distribution, evaluation and correlation of these VLE (and VLLE) data that, in turn, could lead to better results and avoid misinterpretations.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027655

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4065–4076

Titre :	Behavior of the environmentally compatible absorbent 1-butyl-3-methylimidazolium tetrafluoroborate with 2,2,2-trifluoroethanol : experimental densities at high pressures and modeling of PVT and phase equilibria behavior with PC-SAFT EoS
Type de document :	texte imprimé
Auteurs :	Moises R. Curras, Auteur ; Javier Vijande, Auteur ; Manuel M. Pineiro, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4065–4076
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Refrigerant absorbent system Ionic liquids
Résumé :	A novel refrigerant−absorbent system for absorption refrigeration based on ionic liquids as absorbents and a fluoroalcohol as the refrigerant is analyzed. New data of densities at several temperatures in the 283.15−333.15 K range and several pressures up to 40 MPa have been measured. Experimental data have been used to study the behavior and influence of the temperature, pressure, and composition on the isothermal compressibility and the isobaric thermal expansion coefficient. In addition, vapor pressures and saturated density data of the refrigerant 2,2,2-trifluoroethanol were used to determine PC-SAFT parameters, whereas for the absorbent 1-butyl-3-methylimidazolium tetrafluoroborate the molecular parameters were optimized using density data at atmospheric pressure. Using these calculated PC-SAFT parameters, PVT behavior, derived properties and vapor pressures were reasonably well predicted.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101880t

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4057–4064

Titre :	Experimental design to optimize the preparation of activated carbons from herb residues by vacuum and traditional ZnCl2 chemical activation
Type de document :	texte imprimé
Auteurs :	Juan Yang, Auteur ; Keqiang Qiu, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4057–4064
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Carbons Chemical activation
Résumé :	Doehlert matrix was used to optimize the experimental conditions for the preparation of activated carbons from herb residues by vacuum chemical activation and traditional chemical activation using ZnCl2 as activation agent. The effects of activation temperature and impregnation ratio, the most influential factors of ZnCl2 chemical activation, were studied. The obtained activated carbons were characterized by total yield and methylene blue and iodine adsorption value. Each response has been described by a second-order model, and the predicted model presented a good agreement with experimental data. The results showed that activated carbons prepared by vacuum chemical activation have higher yield and better adsorption capacity. The removal percentages of methylene blue for the two optimal activated carbons and a commercial activated carbon were determined. The activated carbon prepared by vacuum chemical activation exhibited the highest methylene blue removal efficiency.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101531p

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4050-4056

Titre :	Using a multilayer perceptron network for thermal conductivity prediction of aqueous electrolyte solutions
Type de document :	texte imprimé
Auteurs :	Reza Eslamloueyan, Auteur ; Mohammad H. Khademi, Auteur ; Saeed Mazinani, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4050-4056
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Electrolyte solution Prediction Thermal conductivity Multiple layer
Résumé :	In this study, a multilayer perceptron (MLP) network is proposed to predict the thermal conductivity (λ) of an electrolyte solution at atmospheric pressure, over a wide range of temperatures (T) and concentrations (x) based on the molecular weight (M) and number of electrons (n) of the solute. The accuracy of the proposed artificial neural network (ANN) was evaluated through performing a regression analysis on the predicted and experimental values of various aqueous solutions, some of which were not used in the network training. The comparison of the developed MLP network to other correlations recommended in the literature indicates that the proposed neural network outperforms other alternative methods, with respect to accuracy as well as extrapolation capabilities. Besides, others' conductivity correlations are usually suggested for a specific electrolyte solution and a limited range of temperatures and concentrations, while such limitations do not exist for the proposed MLP network.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027652

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4042–4049

Titre :	Dispersed calcium oxide as a reversible and efficient CO2−sorbent at intermediate temperatures
Type de document :	texte imprimé
Auteurs :	Philipp Gruene, Auteur ; Anuta G. Belova, Auteur ; Tuncel M. Yegulalp, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4042–4049
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Dispersion calcium oxide
Résumé :	Dispersion of calcium oxide on high surface area γ-Al2O3 creates a stable and reversible CO2−sorbent that overcomes the problems associated with bulk CaO, such as limited long-term stability, slow uptake kinetics, and energy-intensive regeneration. This sorbent is a candidate for the sorption-enhanced hydrogen production via steam reforming and/or water-gas shift reactions. CO2 uptake tests were performed in a 15% CO2/N2 atmosphere to evaluate the efficacy at typical hydrocarbon reformer gas partial pressure. CO2 uptake kinetics and capacities are investigated in TGA studies, while the long-term stability is shown in multicycle experiments. The dispersed CaO is an active sorbent at low temperatures and binds CO2 at 300 °C up to 1.7 times as efficiently as compared to bulk CaO powder. Furthermore, the sorbent can be regenerated in a CO2-free atmosphere at intermediate temperatures between 300 and 650 °C. Multicycle CO2 uptake and release has been tested for 84 cycles at a constant temperature of 650 °C and shows the superior long-term stability of dispersed CaO as compared to bulk CaO. The attempt to increase the uptake capacity from 0.16 to 0.22 mmol CO2 per gram of sorbent occurred with a commensurate loss in BET area from 115 to 41 m2, leading to a decline in overall uptake efficiency from 15% to 6%. Infrared spectroscopy is used to characterize the CO2−sorbent binding interaction on a molecular level and to distinguish between CO2 adsorbing on the bare support, on bulk CaO, and on dispersed CaO/Al2O3.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102475d

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp.4029–4041

Titre :	Water solubility in supercritical methane, nitrogen, and carbon dioxide : measurement and modeling from 422 to 483 K and pressures from 3.6 to 134 MPa
Type de document :	texte imprimé
Auteurs :	Farshad Tabasinejad, Auteur ; R. Gordon Moore, Auteur ; Sudarshan A. Mehta, Auteur
Année de publication :	2011
Article en page(s) :	pp.4029–4041
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Measure water solubility Methane
Résumé :	A series of experiments to measure the water solubility in supercritical nitrogen and carbon dioxide have been conducted at experimental conditions up to 483 K and 134 MPa. The accuracy of the experimental procedure is verified by comparing the water content data of methane in the literature and our experimental data for the methane−water system. In addition, a fugacity−fugacity approach including the cubic-plus-association equation of state (CPA EoS) and a fugacity−activity approach based on the Peng−Robinson EoS and the Henry’s law model are incorporated to predict the water content data of methane, nitrogen, and carbon dioxide. A comparison between our experimental data, literature data, and the results of the fugacity−activity approach shows the reliability of the PR-Henry’s law model for the phase behavior studies of the nitrogen−water system over a wide range of pressure and temperature conditions. However, the CPA equation is not capable of reproducing the high pressure vapor and liquid phase compositions of the water−nitrogen system. The concept of cross-association satisfactorily improves the performance of the CPA equation of state in predicting the water content data of supercritical methane. On the basis of the literature and new measured data in this study, it has been found that the CPA equation better represents the phase behavior of the water−carbon dioxide system if carbon dioxide is considered as a self- and cross-associating molecule.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101218k

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4021-4028

Titre :	Parameters of deinking efficiency in an industrial flotation bank
Type de document :	texte imprimé
Auteurs :	P. Huber, Auteur ; X. Rousset, Auteur ; E. Zeno, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4021-4028
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Bank Flotation Deinking
Résumé :	There is a need to monitor flotation deinking operations, in order to better control their efficiency, reduce losses, and save fiber resources. The objective of this work is to understand the variations of ink removal efficiency and flotation yield at industrial scale. A preflotation bank has been instrumented with air probes, and parameters relevant to flotation operations (chemicals dosages, brightness, effective residual ink content (ERIC), pH, temperature, water levels in cells, rejects flows, consistencies) have been exported from the mill data logging system. Then, relationships among flotation parameters are investigated. Air content in preflotation primary cells is found to vary considerably over time. On the other hand, air content in secondary cells is much higher, but rather stable. Ink removal is enhanced by a higher air content in primary cells. High air content is also found to impair the flotation yield. Most air content variations are explained by opposite variations of pulp concentration. It is proposed that pulp concentration lowers air content, by causing stronger pulp flocculation. These results suggest that deinking flotation yield may be maximized by running the flotation bank at the highest possible pulp concentration, while maintaining the target on the effective residual ink content.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027649

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4011–4020

Titre :	Poly(tetrafluoroethylene) sputtered polypropylene membranes for carbon dioxide separation in membrane gas absorption
Type de document :	texte imprimé
Auteurs :	Julianna A. Franco, Auteur ; Sandra E. Kentish, Auteur ; Jilska M. Perera, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4011–4020
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Dioxide Gas Absorption
Résumé :	This work presents a study of the use of polypropylene (PP) membranes that have been sputtered with poly(tetrafluoroethylene) (PTFE) in a radio frequency plasma reactor. Plasma treatment results in the deposition of an ultrathin microporous coating which has a high degree of fluorination and nano- and microscale roughness. The treated membrane maintains similar pore characteristics and a similar thickness to untreated PP, and therefore, it is likely that the treatment film provides a negligible resistance to CO2 mass transfer relative to that of the bulk PP membrane. The absorption results presented in this paper show that the plasma-treated membrane has a comparable or superior performance to that of PTFE for CO2 mass transfer into monoethanolamine solvent. A flat sheet membrane configuration is used to test the properties of the material and to show that the treated membrane has a comparable CO2 mass-transfer rate to PTFE after 25 days of solvent exposure. Results suggest that all membrane materials are at least partially wetted but that the extent of wetting is lower in the PTFE and plasma-sputtered membrane, relative to untreatred polypropylene.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102019u

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4003–4010

Titre :	Use of mordenite surface acidity properties for the selective separation of halide salts : modification of dielectric effects
Type de document :	texte imprimé
Auteurs :	Elodie Chevereau, Auteur ; Lionel Limousy, Auteur ; Patrick Dutournie, Auteur
Année de publication :	2011
Article en page(s) :	pp. 4003–4010
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Mordenite Acidity properties
Résumé :	The Mordenite membrane was synthesized onto commercial ceramic tubular support (α-alumina), and surface characterizations were carried out on Mordenite powder. The surface charge density remains stable when Mordenite was in contact with monovalent or divalent salts. Pore diameter was estimated in the range of 8−10 nm. Filtrations tests were performed using the Mordenite membrane with single monovalent halide salt solutions. No rejection was observed. Then, the Mordenite membrane was treated with a divalent anionic salt (Na2CO3). Weak rejections were observed according to the order of hydration energy (NaF > NaCl > NaBr > NaI). After an acid cleaning, the membrane recovered its initial properties. A new estimation of average pore radius proved that steric effects were not responsible for rejection themselves. A new filtration test of mixed monovalent salt solution was carried out. The fluoride ion was retained by a majority. A preferential transfer was observed for chloride, bromide, and iodide ions.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1019968

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3994-4002

Titre :	Comparison of FEM and DPB numerical methodologies for dynamic modeling of isothermal batch gibbsite crystallization
Type de document :	texte imprimé
Auteurs :	Andrey V. Bekker, Auteur ; Tian S. Li, Auteur ; Iztok Livk, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3994-4002
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Crystallization Batchwise Modeling Dynamic model
Résumé :	A population balance equation based dynamic gibbsite crystallization model, incorporating crystal growth, nucleation, and agglomeration, was solved using two different numerical techniques, namely, a fully implicit finite element method (FEM) and an explicit discretized population balance (DPB) numerical scheme. Unlike previous crystallization modeling approaches, the agglomeration model in the FEM framework was formulated based on the Safronov agglomeration equation and its partial differential equation (PDE) approximation [Bekker, A. V.; Livk, I. Agglomeration process modeling based on a PDE approximation of the Safronov agglomeration equation. Ind. Eng. Chem. Res. 2011, in press. The FEM numerical solution is implemented using a fully implicit Newton's method Galerkin finite element algorithm, which applies automatic Gear-type time-step and nonuniform adaptive mesh strategies to help optimal solution convergence. The dynamic FEM and DPB model predictions of isothermal gibbsite crystallization, using estimated kinetic parameters, are validated against experimental crystallization data that were generated under process conditions relevant to Bayer gibbsite crystallization. Additional modeling results obtained for a modified set of kinetic parameters, prolonged crystallization times, and more complex crystal size distributions show that the novel FEM-based crystallization modeling framework offers a more accurate and computationally efficient model solution than that based on the DPB approach.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027646

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3986–3993

Titre :	Influence of Clay Content and Amount of Organic Modifiers on Morphology and Pervaporation Performance of EVA/Clay Nanocomposites
Type de document :	texte imprimé
Auteurs :	Runcy Wilson, Auteur ; Tomas S. Plivelic, Auteur ; P. Ramya, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3986–3993
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Nanocomposites
Résumé :	Poly(ethylene-co-vinyl acetate)/organically modified clay nanocomposites were prepared using different clay loadings and by varying the amount of organic modifier. The morphology of the nanocomposites was investigated using small-angle X-ray scattering (SAXS), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). SAXS results displayed intercalation of polymeric chains between the silicate layers in all the cases. The interlayer distance varies slightly between the series. TEM images showed a better dispersion of the clay platelets at lower loading for both series of samples. The pervaporation performances of membranes were analyzed using a chloroform/acetone mixture. Membranes displayed high selectivity. The influence of feed composition on pervaporation was analyzed. The nanoclay content and the influence of free volume on pervaporation performance were also investigated in detail. A drop in selectivity and an increase in permeation rate were observed at higher clay loadings.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102259s

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3977-3985

Titre :	Optimization of the design and operation of an extractive distillation system for the production of fuel grade ethanol using glycerol as entrainer
Type de document :	texte imprimé
Auteurs :	Pablo Garcia - Herreros, Auteur ; Jorge M. Gomez, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3977-3985
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Fuel Production Extractive distillation Design Optimization
Résumé :	The extractive distillation of ethanol using glycerol as entrainer is studied in order to find its optimal design and operating conditions. The optimization is formulated as a mixed integer nonlinear programming (MINLP) problem. The discrete variables determine the number of stages of the columns and their feed stage locations. The continuous variables include the variables of the equilibrium model and operating variables. The solution of the optimization problem is achieved through a two-level strategy that combines stochastic and deterministic algorithms. The result obtained establishes the process that maximizes an economic criterion for the industrial production of bioethanol satisfying the problem constraints.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027644

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3966-3976

Titre :	Mixture absorption system of monoethanolamine — triethylene glycol for CO2 capture
Type de document :	texte imprimé
Auteurs :	Jing Tan, Auteur ; Huawei Shao, Auteur ; Jianhong Xu, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3966-3976
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Carbon dioxide
Résumé :	In this paper, a mixture system without water but composed of monoethanolamine (MEA) and triethylene glycol (TEG) is designed for CO2 capture. The solubility of CO2 in pure TEG and MEA-TEG solutions is determined, respectively, showing that the solubility of CO2 in TEG is generally consistent with Henry's Law and the value is higher than that in water. The solubility of CO2 in MEA―TEG solutions significantly increases with the increase of MEA, showing the characteristics of chemical reaction absorption. The absorption mechanism study shows that TEG does not act as a reaction agent. There is only one reaction between CO2 and MEA. The absence of water in the new system leads to the absence of dissociation of protonated MEA and formation of carbamate (MEACOO―). This is much different from the MEA―water system. A mathematical model is also developed for predicting the solubility of CO2 in the new system. The results show that the absorption and desorption can be realized at relatively lower temperatures (lower than 353.15 K), which may provide advancement in two aspects: low energy consumption with less solvent evaporation and avoidance of MEA's degradation caused by high-temperature operation.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027643

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3960-3965

Titre :	Phosphine adsorption removal from yellow phosphorus tail gas over CuO - ZnO - La2O3/activated carbon
Type de document :	texte imprimé
Auteurs :	Honghong Yi, Auteur ; Qiongfen Yu, Auteur ; Xiaolong Tang, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3960-3965
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Activated carbon Adsorption
Résumé :	CuO―ZnO―La2O3/activated carbon (AC) adsorbent was used for phosphine (PH3) adsorption removal. The effects of O2 content, PH3 concentration, and adsorption temperature on the PH3 adsorption were investigated. The adsorbents were characterized by Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry/thermogravimetric (DSC/ TGA), and X-ray photoelectron spectroscopy (XPS). The results show that PH3 adsorption capacity is enhanced significantly by increasing oxygen content or adsorption temperature. Two bands that appear at 1161.1 and 1008.5 cm―1 in the FTIR spectrum of the exhausted adsorbent are ascribed to H3PO4. An exothermic peak in the DSC curve of exhausted adsorbent is ascribed to desorption of H3PO4 and condensation reactions of H3PO4 adsorbed species. It is observed that both P4O10 (65.09%) and H3PO4 (34.91%) exist over the exhausted adsorbent. The CuO―ZnO―La2O3/AC adsorbs PH3 and PH3 adsorbed is oxidized to form H3PO4 and P4O10. It naturally follows that the CuO―ZnO―La2O3/AC will be a potential adsorbent for PH3 removal from yellow phosphorus tail gas.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027642

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3955-3959

Titre :	Dynamic simulation of rosemary essential oil extraction in an industrial steam distillation unit
Type de document :	texte imprimé
Auteurs :	Rafael B. Sartor, Auteur ; Argimiro R. Secchi, Auteur ; Rafael de P. Soares, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3955-3959
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Modeling Steam distillation Essential oil Dynamic model
Résumé :	This work presents the dynamic simulation of rosemary essential oil extraction by steam-distillation. Experimental data acquired in an industrial steam-distillation unit were used to estimate the model parameters. Two distinct climatic conditions (summer and winter) were used to verify the model flexibility. In winter condition, two time-dependent experimental data curves were used together to verify the parameter estimation strategy, whereas in summer condition, two time-dependent curves were used for parameter estimation and a third one for model validation with respect to prediction. The mathematical model fitted satisfactorily both set of industrial data, resulting, for the summer and winter, in global mass transfer coefficient of 8.64 x 10―4s―1 and 9.10 × 10―4 s ―1, and equilibrium constant 2.72 x 10―4 m3/kg and 1.07 x 10―2m3/kg, respectively.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027641

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3947–3954

Titre :	Degradation of low concentration methyl orange in aqueous solution through sonophotocatalysis with simultaneous recovery of photocatalyst by ceramic membrane microfiltration
Type de document :	texte imprimé
Auteurs :	Peng Cui, Auteur ; Yazhong Chen, Auteur ; Guijuan Chen, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3947–3954
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Aqueous solution Photocatalyst
Résumé :	Photocatalysis is a promising technology for wastewater treatment, particularly for mineralization of nonbiodegradable and toxic components in wastewater. TiO2 is usually utilized as photocatalyst in slurry reactors in order to overcome mass transfer limitations. The difficulty in recovering TiO2 photocatalyst from treated water hindered its wide application. In this work, a novel process efficiently integrating sonophotocatalysis for methyl orange degradation and ultrasonic-enhanced ceramic membrane microfiltration for TiO2 separation was proposed and demonstrated. The results indicated that ultrasonic introduction could enhance photocatalysis reaction rate through cavitation effect, a synergetic effect between sonolysis and photocatalysis was found, and that is closely related with working conditions. Ceramic membrane microfiltration could efficiently recover TiO2 photocatalyst with a mean granular size of 0.33 μm from slurry reactor, achieving 99.9% recovery rate. Ultrasonic introduction into microfiltration process efficiently increased transmembrane permeation flux, suppressing membrane fouling under optimal working conditions. However, due to the problems associated with conversion efficiency of ultrasonic energy and the uncertain synergistic effect of sonolysis and photocatalysis, there is still much work before application of this process for wastewater treatment.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie100832q

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3938–3946

Titre :	Stochastic nonlinear optimization for robust design of catalysts
Type de document :	texte imprimé
Auteurs :	Chang Jun Lee, Auteur ; Vinay Prasad, Auteur ; Jong Min Lee, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3938–3946
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimal catalyst
Résumé :	Computational methods for designing an optimal catalyst have recently received much attention, especially for energy-related applications. What is lacking in the previous methods is an explicit method to handle uncertainties in the complex models used, so that a robust design is achieved. This work proposes a stochastic optimization method for designing a robust catalyst. In particular, reactions involved in catalytic decomposition of ammonia are presented, and uncertainties associated with experimental determination of kinetic parameters are represented as exogenous variables with assumed probability distributions. The problem is formulated in terms of finding the optimal binding energies that maximize conversion in a microreactor. The resulting stochastic optimization problem is nonlinear, and involves the expectation operator as well as integration in the objective function. This difficult optimization problem is tackled by a population sample based approach, referred to as particle swarm optimization. The results show that the value of solving the stochastic problem is significant, and that it can provide a more robust solution compared to the certainty equivalence approach.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102103w

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3928–3937

Titre :	New approach to optimizing the facility siting and layout for fire and explosion scenarios
Type de document :	texte imprimé
Auteurs :	Seungho Jung, Auteur ; Dedy Ng, Auteur ; Christian Diaz-Ovalle, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3928–3937
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization
Résumé :	Accidents involving flammable materials often resulted in a fire or an explosion. In addition to property damages caused by fire/explosion, the concern about the potential of structural collapse on building occupants has become an increasingly emergent. The present work describes a new approach to optimizing facility siting and layout for flammable gas release scenarios, thereby minimizing the consequences of fire and explosion. This approach focuses on integrating quantitative risk analysis in the optimization formulation to obtain the optimal allocation of new facilities based on particular risk criteria derived from accident scenarios. Three different approaches to configure the optimal location of new facilities were used: fixed distance (recommended separation distance), optimized layout by considering the structural damage due to blast overpressures, and, finally, integration of the first two approaches with weighting factors to account for the risk to building occupants and the likelihood of the domino effect. The proposed approach was formulated as a mixed integer nonlinear program (MINLP) problem that determines safe locations of facilities by minimizing the overall cost. Furthermore, the proposed methodology was evaluated using a flame acceleration simulator (FLACS) to consider the congestion and confinement effects in the plant in order to provide substantial guidance for deciding the optimal layout. The outcome of this study can be used as a tool to assess a new or current layout of process plant buildings and to manage fire and explosion risks in the chemical process plant.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101367g

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3919–3927

Titre :	Sensitivity-based product portfolio and design integration
Type de document :	texte imprimé
Auteurs :	Beverly V. Smith, Auteur ; Marianthi G. Ierapetritou, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3919–3927
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	chemical products
Résumé :	In this study we present a novel integration between product portfolio management evaluation criteria and product design decisions involving the design of chemical-based configured consumer products. We consider the variance contribution made by the product’s quality characteristics to the product’s economic performance that is measured via its net present value (NPV). The sensitivity-based time-constrained selection problem (STCSP) is modeled as a static deterministic problem, solved with the objective of mean cost minimization. The STCSP model utilizes a hybrid approach involving the application of Monte Carlo simulation, heuristics, and algorithmic processing to optimize the product design planning process. In this approach product design activities dependencies are modeled as linear inequality constraints. An industry-based case is used to illustrate the proposed approach.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101347s

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3907–3918

Titre :	Random sampling-based automatic parameter tuning for nonlinear programming solvers
Type de document :	texte imprimé
Auteurs :	Weifeng Chen, Auteur ; Zhijiang Shao, Auteur ; Kexin Wang, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3907–3918
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Nonlinear programming solver
Résumé :	Nonlinear programming solvers play important roles in process systems engineering. The performance of a nonlinear programming solver is influenced significantly by values of the solver parameters. Hence, tuning these parameters can enhance the performance of the nonlinear programming solver, especially for hard problems and time-critical applications like real time optimization and nonlinear model predictive control. Random sampling (RS) algorithm is utilized to tune the nonlinear programming solver for solving hard problems. By introducing an iterated search technique, heuristic rules and advanced termination criteria, an enhanced random sampling algorithm is developed to determine parameter configuration that work significantly better than the default. These random sampling-based methods can handle all kinds of parameters (e.g., categorical, integer, and continuous) of the nonlinear programming solver. Numerical results with parameter configurations from the proposed random sampling-based methods show remarkable performance improvement compared with the defaults. Future works toward the development and improvement of the automatic parameter-tuning tool for the nonlinear programming solvers are also outlined.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie100826y

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3900-3906 [

Titre :	Dimensional stability and dynamic young's modulus of tropical light hardwood chemically treated with methyl methacrylate in combination with hexamethylene diisocyanate cross - linker
Type de document :	texte imprimé
Auteurs :	Md. Saiful Islam, Auteur ; Sinin Hamdan, Auteur ; Ismail Jusoh, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3900-3906 [
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Hardwood Tropical zone Stability
Résumé :	Chemical treatment is often used to improve the physical and mechanical properties of wood materials. In this study, wood polymer composites (WPC) were prepared from five types of tropical wood species by impregnating the woods with methyl methacrylate (MMA) combined with a cross-linker hexamethylene diisocyanate (HMD[C). Their dimensional stability and mechanical properties were then investigated. The impregnation of wood with monomer systems and polymerization was accomplished through vacuum-pressure and catalyst heat treatment method, respectively. The manufacturing of WPC was confirmed through FT-IR spectroscopy and X-ray diffraction (XRD) analyses. The dimensional stability of manufactured WPC in terms of volumetric swelling (S) and antishrink efficiency (ASE) was measured and found to be improved on treatment. In addition, the modified WPC had lower moisture absorption and higher water repellent efficiency compared to raw wood. The mechanical property of treated samples in terms of dynamics Young's modulus (Ed) was also shown to improve. These improvements in properties were observed as more effective with MMA―HMDIC combination.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027635

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3895–3899

Titre :	Methodological approach to control the refractive index profile of graded-index polymer optical fiber
Type de document :	texte imprimé
Auteurs :	Makoto Asai, Auteur ; Yoshiki Mukawa, Auteur ; Satoshi Takahashi, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3895–3899
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Polymer optical Fiber
Résumé :	The graded-index polymer optical fiber (GI-POF) is a promising candidate for high-speed communication medium for very short reach networks such as home networks and office local area networks (LANs). It is well-known that there is an optimum refractive index profile to maximize bandwidth properties of GI-POF when the profile is expressed by the power law equation. The interfacial-gel polymerization technique, one of the major conventional fabrication methods of GI-POF, has many processes, and the formation mechanism of refractive index profiles intricately depends on many parameters of fabrication conditions. Thus is very difficult to control and form an optimum radial refractive index profile in the GI-POF. Recently, the coextrusion process has been proposed for mass production of GI-POF. In this process, the forming process of refractive index profiles can be expressed by a simple advection−diffusion equation. Therefore, we investigated the general methodology to control refractive index profiles by numerically solving the advection−diffusion equation. On the basis of our data, it was determined that refractive index profiles could be controlled by adjusting diffusion temperature and core ratio.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101888y

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3889–3894

Titre :	Preparation of pseudoboehmite with a large pore volume and a large pore size by using a membrane-dispersion microstructured reactor through the reaction of CO2 and a NaAlO2 solution
Type de document :	texte imprimé
Auteurs :	Yujun Wang, Auteur ; Dengqing Xu, Auteur ; Haitao Sun, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3889–3894
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Membrane dispersion microstructured reactor
Résumé :	In this work, a membrane-dispersion microstructured reactor was specially designed to prepare PB (pseudoboehmite) with a large pore volume and a large pore size through the reaction of CO2 and an aqueous solution of NaAlO2. Tiny crystals of PB and a suitable template are necessary for generating large pore diameter and large pore volume. In this reactor, the tiny crystals could be obtained by increasing the mass transfer rate between the gas phase and the liquid phase through dispersing the CO2 gas into many microbubbles, and these microbubbles could act as a template to increase the pore volume. The effects of the final pH of the aqueous solution, the concentrations of raw materials, and the flow rate of the gas phase on pore properties of products were investigated. The results showed that when the final pH of the aqueous solution was between 10.5 and 9.4, pure PB could be obtained, and the crystal size of PB was about 2.3 nm. In addition, the specific surface area, the pore volume, and the average pore diameter of PB reached 548.5 m2/g, 2.22 mL/g, and 16.2 nm, respectively, under optimal conditions; these values were much higher than those prepared in the stirred tank. After calcinations of PB at 550 °C, the γ -Al2O3 powder obtained also yielded large pore volume and large average pore diameter.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101629g

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3880–3888

Titre :	Hybrid hydrotalcite−sulfonated poly(ether ether ketone) cation-exchange membranes prepared by in situ sulfonation
Type de document :	texte imprimé
Auteurs :	Tae Wook Kim, Auteur ; Muhammad Sahimi, Auteur ; Theodore T. Tsotsis, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3880–3888
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Hydrotalcite Methanol fuel cells
Résumé :	Direct methanol fuel cells (DMFC), which operate using methanol as a fuel, are attracting considerable attention recently. However, DMFC face a major technical hurdle, namely, methanol crossover through the polymer electrolyte membrane. For example, the commercial Nafion membranes, in addition to being expensive, also often allow more than 40% of the methanol to be lost through crossover during fuel cell operation. Our study’s goal, therefore, was to develop a new, cost-effective membrane with superior methanol barrier properties to Nafion but which also maintains reasonable proton conductivity. We have prepared membranes by in situ sulfonation of hybrid poly(ether ether ketone) (PEEK) and hydrotalcite (HT) films. These composite HT−SPEEK polymer membranes show high conductivity and low methanol diffusivity and are comparable in their performance with commercial Nafion membranes. Their properties depend strongly on the sulfonation reaction time and the fraction of hydrotalcite contained in the original polymer film prior to its sulfonation.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1019563

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3874-3879

Titre :	Toward hydrotreating of waste cooking oil for biodiesel production. effect of pressure, H2/Oil ratio, and Liquid hourly space velocity
Type de document :	texte imprimé
Auteurs :	Stella Bezergianni, Auteur ; Athanasios Dimitriadis, Auteur ; Aggeliki Kalogianni, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3874-3879
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Production Hydrotreating
Résumé :	This work focuses on the use of waste cooking oil (WCO) as the main feedstock for hydrotreatment to produce biodiesel. In this study three parameters are considered for evaluating the effectiveness of this technology, pressure, hydrogen-to-oil (H2/oil) ratio and liquid hourly space velocity (LHSV). For all experiments the same commercial hydrotreating catalyst was utilized. Hydrotreatment pressure, as a key parameter of hydrotreatment reactions, was initially studied via three experiments covering a range between 8.27 and 9.65 MPa. The H2/oil ratio was examined via three experiments between 543 and 890 N m3/m3 in order to evaluate its effect on biodiesel yield. Finally three different LHSVs (0.5, 1.0, and 1.5 h―1) were explored in order to study both hydrotreating catalyst effectiveness and catalyst life expectancy.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027631

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3864-3873

Titre :	Analysis of the physical and chemical mechanisms of potassium catalysis in the decomposition reactions of wood
Type de document :	texte imprimé
Auteurs :	C. Di Balsi, Auteur ; A. Galgano, Auteur ; C. Branca, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3864-3873
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Wood Catalysis
Résumé :	Fir wood pyrolysis is carried out for extracted, KOH and KCl impregnated, and impregnated-extracted samples. For K― concentrations in wood of 0.14% (dry mass basis), the effects of KOH are quantitatively higher, but both additives produce a significant diminution in the yields of hydroxyacetaldehyde, furfural, and sugars, the decomposition temperature, and the conversion time. Water extraction ofKCl impregnated samples is apt to reproduce again the characteristics of extracted wood pyrolysis. Instead, water extraction ofKOH impregnated samples only reports the yields ofhydroxyacetaldehyde, acetic acid, and hydroxypropanone to the original values whereas differences in the other variables, especially characteristic times and temperatures and levoglucosan yields, remain very large. Therefore, the action of the impregnated K+ compounds during wood pyrolysis can be attributed to both irreversible modifications in the wood structure during impregnation, whose entity depends on the basicity of the aqueous solution, and intrinsic action of the K― ion on the activity of the decomposition reactions.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24027630

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3858–3863

Titre :	Efficient oxidative dehydrogenation of lactate to pyruvate using a gas - liquid micro flow system
Type de document :	texte imprimé
Auteurs :	Toshiya Yasukawa, Auteur ; Wataru Ninomiya, Auteur ; Ken Ooyachi, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3858–3863
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Gas liquid
Résumé :	An efficient production of pyruvate by the oxidative dehydrogenation of lactate is achieved using a micro flow system based on gas−liquid slug flow. In this micro flow system, oxidizing agents and acetonitrile solutions of lactates and vanadium species are used, and lactate is converted into the corresponding pyruvate. For reasons of atom economy and enhanced mass transfer of oxygen into the liquid phase, due to internal circulation flow within slugs, molecular oxygen is the preferred agent. In a catalyst screening, vanadium oxytrichloride (VOCl3) gave the highest pyruvate yield. A continuous system is developed, consisting of the following two processes using T-shaped mixers: the mixing of an acetonitrile solution of lactate with that of VOCl3 and the injection of oxygen gas into the solution mixture. Compared with the conventional batch system, the oxidative dehydrogenation of lactate to the corresponding pyruvate proceeds more effectively using this micro flow system.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102043a

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3849–3857

Titre :	Delignification kinetics study on the tetrahydrofurfuryl alcohol/HCl pulping of rice straw
Type de document :	texte imprimé
Auteurs :	Chen-Lung Ho, Auteur ; Keng-Tung Wu, Auteur ; Eugene I-Chen Wang, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3849–3857
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Kinetics
Résumé :	In this study, the delignification kinetics of tetrahydrofurfuryl alcohol (THFA)/HCl pulping of rice straw was investigated. In the atmospheric pressure pulping, two phases of different delignification rates were observed which were closely related to the amount of HCl and temperature. Equations for the transition time of these two phases at various temperatures and catalyst dosages were derived. For optimal cooking control, the transition time of these two phases can be calculated. The cooking showed very low activation energies, which, in phase I and phase II, were only 26.5 kJ and. 32.2 kJ mol−1, respectively. At phase I pulping, delignification was the main reaction with minimal dissolution of carbohydrate fractions. Consequently, the yield loss was low. In phase II, however, when the residual lignin content was less than about 5%, the dissolution of the carbohydrate was greater than the lignin removal, causing a marked reduction in pulp yield. Comparisons of KL/KC (ratio of delignification rate and rate of carbohydrate dissolution) and ΔL/ΔC (ratio of lignin removed and carbohydrate dissolved during pulping) values in phases I and II were made. Results showed that both values were greater in phase I, and both values reached their maxima at 120 °C and catalyst dosage of 0.020 mol L−1.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102184c

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3842–3848

Titre :	Catalytic incineration of acetone on mesoporous silica supported metal oxides prepared by one-step aerosol method
Type de document :	texte imprimé
Auteurs :	ChenYeh Wang, Auteur ; Hsunling Bai, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3842–3848
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Catalytic oxides
Résumé :	Mesoporous silica supported metal oxide catalysts were synthesized by a one-step fast aerosol process based on an evaporation induced self-assembly (EISA) method. They were then applied to the catalytic incineration of VOCs with acetone as the target species. The synthesized metal-MSPs (mesoporous silica particles) were characterized by N2 adsorption−desorption measurements, X-ray diffraction (XRD), transmission electron microscopy (TEM), and inductively coupled plasma-mass spectrometer (ICP−MS) to understand their physical and chemical properties. Tests on various metals of Ce, Mn, Cu, Fe, and Al supported on MSPs over a temperature range of 150−350 °C demonstrated that Ce is the best metal for the catalytic incineration of acetone. The Ce-MSPs(10) has a high Ce loading of 9.76 wt %, but its small specific surface area of 615 m2/g, poor pore size distribution, and less-ordered pore structure resulted in a relatively lower acetone removal as compared to the Ce-MSPs(25). The Ce-MSPs(25) catalyst appeared to be the best acetone catalytic incineration performance due to the high specific surface area of 951 m2/g with highly ordered pore structure as well as optimal Ce metal content of 3.72 wt % so that CeO2 particles were well dispersed on the porous surfaces. Near complete acetone destruction via Ce-MSPs(25) catalyst was achieved at a temperature of 250 °C, acetone inlet concentration of 1000 ppmv and GHSV of 5000 h−1. The long-term stability test showed that the acetone destruction efficiency can be kept constant during the 96 h test period.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101809t

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3836–3841

Titre :	Photochemical oxidation removal of NO and SO2 from simulated flue gas of coal-fired power plants by wet scrubbing using UV/H2O2 advanced oxidation process
Type de document :	texte imprimé
Auteurs :	Yang xian Liu, Auteur ; Zhang, Jun, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3836–3841
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Photochemical oxidation
Résumé :	Photochemical oxidation removal of NO and SO2 from simulated flue gas of coal-fired power plants by wet scrubbing using UV/H2O2 advanced oxidation process was studied in a semicontinuous and small-scale ultraviolet (UV)-bubble column reactor with different conditions, including UV, H2O2 concentration, solution initial pH value, solution temperature, and liquid layer height. The results show that under all conditions studied, the SO2 is removed completely. The UV has an obvious impact on NO removal efficiency. With the increase of H2O2 concentration or liquid layer height, the NO removal efficiency greatly increases at first, and then the growth rate of NO removal efficiency gradually become smaller. The NO removal process is enhanced by the solution initial pH value, but it is inhibited by the solution temperature. The gaseous and liquid reaction products are determined using ion chromatography and gas analyzer, respectively. The removal path of NO and SO2 are also preliminarily discussed.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1020377

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3829–3835

Titre :	Kinetics of esterification of phenylacetic acid with p-cresol over H-β zeolite catalyst under microwave irradiation
Type de document :	texte imprimé
Auteurs :	B. M. Chandra Shekara, Auteur ; C. Ravindra Reddy, Auteur ; C. R. Madhuranthakam, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3829–3835
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Kinetics
Résumé :	Heterogeneous esterification of phenylacetic acid with p-cresol over H-β zeolite was studied without using any solvent. Experiments were designed, conducted, and analyzed to study the effect of two different types of heating on the reaction yield. Primarily, the comparison was made between using the microwave irradiation and conventional heating. Microwave irradiation was found to be superior to conventional heating in terms of yields of ester for short reaction periods. The effects of reaction parameters such as catalyst amount, mole ratio of reactants, reaction time, reaction temperature, and water removal were investigated under microwave heating to optimize ester yield. Conversion of phenylacetic acid was studied at different temperatures, and the kinetics of the reaction was modeled using the Langmuir-Hinshelwood-Hougen-Watson (LHHW) model. The corresponding model parameters were estimated by using nonlinear least-squares method. The reaction parameters thus obtained were used to evolve simulated values of conversion. Experimental values were found to be in very good agreement with the simulated values as evident from regression coefficient value of 0.987.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101134k

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3818–3828

Titre :	Kinetics of aqueous extraction of hemicelluloses from spruce in an intensified reactor system
Type de document :	texte imprimé
Auteurs :	Henrik Grenman, Auteur ; Kari Eranen, Auteur ; Jens Krogell, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3818–3828
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Kinetics
Résumé :	The aqueous extraction of hemicelluloses has gained increasing interest with new emerging applications for hemicelluloses in the modern forest-based biorefinery concept. The extraction kinetics play a key role in their industrial utilization. The traditional kinetic studies and models for the selective dissolution of softwoods, however, always incorporate high concentrations of sodium hydroxide and sodium sulfide relevant to pulping, and the kinetics in pure water is left outside the scope of these investigations. Aqueous extraction of hemicelluloses from spruce sapwood was investigated with a new cascade reactor setup, which was developed for intensified investigation of solid−liquid dissolution kinetics. The experiments were performed at 150−170 °C with a particle size of 1.25−2 mm and solid loads of about 6.25 g of dry wood/L in the kinetic regime of intrinsic kinetics. The pH of the liquid phase was measured during the reaction. The selectivity of the dissolution and degradation of hemicelluloses was examined qualitatively. The total concentrations of arabinose (Ara), xylose (Xyl), galactose (Gal), glucose (Glc), mannose (Man), rhamnose (Rha), glucuronic acid (GlcA), 4-O-methylglucuronic acid (4-O-MeGlcA), and galacturonic acid (GalA) were analyzed from the liquid and solid phases during the reaction. The dissolution was observed to be highly temperature dependent, and degradation of the compounds was observed. A kinetic model was developed for the overall extraction of the hemicelluloses. The activation energy was determined to be 135 kJ/mol. No significant influence of the pH on the actual extraction kinetics was observed, even though it influences strongly the degradation of the compounds through hydrolysis.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101946c

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3798–3817

Titre :	Preparation and characterization of membranes formed by nonsolvent induced phase separation: : a review
Type de document :	texte imprimé
Auteurs :	Gregory R. Guillen, Auteur ; Yinjin Pan, Auteur ; Minghua Li, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3798–3817
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Nonsolvent induced phase separation
Résumé :	The methods and mechanisms of nonsolvent induced phase separation have been studied for more than fifty years. Today, phase inversion membranes are widely used in numerous chemical industries, biotechnology, and environmental separation processes. The body of knowledge has grown exponentially in the past fifty years, which suggests the need for a critical review of the literature. Here we present a review of nonsolvent induced phase separation membrane preparation and characterization for many commonly used membrane polymers. The key factors in membrane preparation discussed include the solvent type, polymer type and concentration, nonsolvent system type and composition, additives to the polymer solution, and film casting conditions. A brief introduction to membrane characterization is also given, which includes membrane porosity and pore size distribution characterization, membrane physical and chemical properties characterization, and thermodynamic and kinetic evaluation of the phase inversion process. One aim of this review is to lay out the basics for selecting polymer−solvent−nonsolvent systems with appropriate film casting conditions to produce membranes with the desired performance, morphology, and stability, and to choose the proper way to characterize these properties of nonsolvent induced phase inversion membranes.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101928r

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3788–3797

Titre :	Planning model for the design and/or retrofit of industrial water systems
Type de document :	texte imprimé
Auteurs :	Debora C. Faria, Auteur ; Miguel J. Bagajewicz, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3788–3797
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Industrial water systems
Résumé :	Planning models for industrial water systems are needed to address future environmental regulations, increasing costs of freshwater, variability on the quality of the available freshwater source, and bottlenecks caused by expansion of the capacity plant, among other reasons. In this paper, we present a method to address an increase in plant capacity associated with new water-using units planned to be added through time and/or an increase in the mass load of existing water-using units. We compare this method with two ad-hoc alternatives, which exhibit good performance for the examples shown.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1014734

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3775–3787

Titre :	On synthesis and optimization of cooling water systems with multiple cooling towers
Type de document :	texte imprimé
Auteurs :	Khunedi Vincent Gololo, Auteur ; Thokozani Majozi, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3775–3787
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization
Résumé :	Cooling water systems are generally designed with a set of heat exchangers arranged in parallel. This arrangement results in higher cooling water flow rate and low cooling water return temperature, thus reducing cooling tower efficiency. Previous research on cooling water systems has focused mainly on heat exchanger network thus excluding the interaction between heat exchanger network and the cooling towers. This paper presents a technique for grassroot design of cooling water system for wastewater minimization, which incorporates the performances of the cooling towers involved. The study focuses mainly on cooling systems consisting of multiple cooling towers that supply a common set of heat exchangers. The heat exchanger network is synthesized using the mathematical optimization technique. This technique is based on superstructure in which all opportunities for cooling water reuse are explored. The cooling tower model is used to predict the thermal performance of the cooling towers. Two case studies are presented to illustrate the proposed technique. The first case resulted in nonlinear programming (NLP) formulation and the second case yield mixed integer nonlinear programming (MINLP). The nonlinearity in both cases is because of the bilinear terms present in the energy balance constraints. In both cases, the cooling towers operating capacity were debottlenecked without compromising the heat duties.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101395v

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3763–3774

Titre :	Efficient flexibility assessment procedure for water network designs
Type de document :	texte imprimé
Auteurs :	Bao-Hong Li, Auteur ; Chuei-Tin Chang, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3763–3774
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Water network designs
Résumé :	A new nonlinear programming (NLP) formulation of the conventional flexibility index model (Swaney and Grossmann, 1985) has been developed in this work for flexibility analysis of single-contaminant water networks. Since this improved model is constructed on the basis of a single critical point instead of the entire region of uncertain parameters, the iterative optimization process converges at a much faster rate. A systematic flexibility assessment procedure has also been devised to analyze and modify a given network so as to achieve the desired level of operational resiliency. Specific design steps are followed sequentially to check the feasibility of a nominal design and to improve its flexibility index by (1) relaxing the upper limit of freshwater capacity and/or (2) adding new pipelines and/or removing existing ones. The effectiveness of the proposed approach is demonstrated with two examples in this paper.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101329v

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3754–3762

Titre :	Optimization of direct recycle networks with the simultaneous consideration of property, mass, and thermal effects
Type de document :	texte imprimé
Auteurs :	Houssein Kheireddine, Auteur ; Younas Dadmohammadi, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3754–3762
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization Recycle networks
Résumé :	There is a growing need to develop systematic and cost-effective design strategies for direct recycle strategies that lead to the reduction in the consumption of fresh materials and in the discharge of waste streams. Traditionally, most of the previous research efforts in the area of designing direct-recycle networks have considered the chemical composition as the basis for process constraints. However, there are many design problems that are not component-based; instead, they are property-based (e.g., pH, density, viscosity, chemical oxygen demand (COD), basic oxygen demand (BOD), toxicity). Additionally, thermal constraints (e.g., stream temperature) may be required to identify acceptable recycles. In this work, we introduce a novel approach to the design of recycle networks that allows the simultaneous consideration of mass, thermal, and property constraints. Furthermore, the devised approach also accounts for the heat of mixing and for the interdependence of properties. An optimization formulation is developed to embed all potential configurations of interest and to model the mass, thermal, and property characteristics of the targeted streams and units. Solution strategies are developed to identify stream allocation and targets for minimum fresh usage and waste discharge. A case study is solved to illustrate the concept of the proposed approach and its computational aspects.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1012272

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3738–3753

Titre :	Global optimization of water management problems using linear relaxation and bound contraction methods
Type de document :	texte imprimé
Auteurs :	Debora C. Faria, Auteur ; Miguel J. Bagajewicz, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3738–3753
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization Water management
Résumé :	In this paper, we present results of a recently developed global optimization method(1) as applied to water management problems. Our method deals effectively with MINLP problems with bilinear and univariate concave terms. Bilinear terms show up in these problems as products of flow rates and concentrations in component balances. In turn, concave terms are typically associated with equipment costs.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101206c

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3722–3737

Titre :	Targeting for conventional and property-based water network with multiple resources
Type de document :	texte imprimé
Auteurs :	Chun Deng, Auteur ; Xiao Feng, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3722–3737
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Water network
Résumé :	Water scarcity and stringent emission legislation have been motivating process industries to emphasize water conservation. Pinch analysis has been accepted as one of the powerful approaches to locate targets of wastewater minimization. In this paper, the improve problem table (IPT) is presented to target conventional and property-based water networks with multiple resources on the basis of the composite table algorithm (CTA) (Agrawal, V.; Shenoy, U. V. Unified conceptual approach to targeting and design of water and hydrogen networks. AIChE J.2006, 52, 1071−1082). The corresponding limiting composite curve and water supply line are plotted to facilitate the analyzing and understanding of basic physical insights. The minimum operating cost subject to availability of the water resources is also addressed. In addition, two strategies are proposed to handle flow rate constraints for certain resources, and the corresponding wastewater stream identification techniques are introduced successively. To illustrate the applicability of IPT, two conventional so-called concentration-based water networks with different scenarios, i.e., direct reuse/recycle and regeneration reuse/recycle, are synthesized. Moreover, the targets for a property-based water network with a pretreatment system are determined via the proposed IPT.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1012008

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3705–3721

Titre :	Optimization of water consumption in second generation bioethanol plants
Type de document :	texte imprimé
Auteurs :	Mariano Martin, Auteur ; Elvis Ahmetovic, Auteur ; Ignacio E. Grossmann, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3705–3721
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization Water Bioethanol
Résumé :	In this work we address the water consumption optimization of second generation bioethanol production plants from lignocellulosic switchgrass when using thermo-chemical, thermo-biochemical, or biochemical routes considering corn-based ethanol as a reference. To optimize the water consumption a three stage method is used. First, energy consumption is optimized in the production processes, which reduces the cooling needs of the processes and thus, the water losses by evaporation and drift in the cooling tower. Next, a number of technologies are considered to partially substitute the use of water as cooling agent. Finally, the optimal water networks for each of the ethanol production processes are designed by determining water consumption, reuse, and recycle and the required treatment using a superstructure optimization approach. The resulting water consumption ratios range from 1.5 to 3 gal/gal, which are in the range or even below the amount of water needed for gasoline production and with low or no water discharge depending on the process. Further reduction can be obtained by using air cooling and if the water released from the crop can be properly recovered and treated. Under these conditions the water consumption ratios range from 0.4 to 1.7 gal/gal and with no or low water discharge.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101175p

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3695–3704

Titre :	Heat integration in process water networks
Type de document :	texte imprimé
Auteurs :	Joel George, Auteur ; Gopal Chandra Sahu, Auteur ; Santanu Bandyopadhyay, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3695–3704
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Water networks
Résumé :	A mathematical optimization approach for targeting the minimum utility consumption in heat-integrated process water networks is proposed in this paper. The linear programming formulations are developed for heat integration in fixed flow rate water allocation networks, for both single and multiple contaminants, incorporating isothermal mixing. Heat integration in water allocation networks is also addressed through nonisothermal mixing of streams, and this is formulated as a discontinuous nonlinear programming problem. Utility requirements, for isothermal as well as for nonisothermal mixing, are compared over a range of minimum approach temperatures to evaluate the energy performance using illustrative examples. The number of required heat exchangers is less in heat-integrated water allocation problems with nonisothermal mixing. Simultaneous optimization of the overall heat-integrated water allocation network, to minimize the operating cost, is also formulated and solved.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101098a

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - [7], pp 3686–3694

Titre :	Fuzzy optimization model for source-sink water network synthesis with parametric uncertainties
Type de document :	texte imprimé
Auteurs :	Raymond R. Tan, Auteur
Année de publication :	2011
Article en page(s) :	[7], pp 3686–3694
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Optimization Water Network
Résumé :	Source-sink problems occur in various process systems engineering applications, such as the design of water reuse systems and resource conservation networks. Such problems may be solved using alternative approaches, including graphical pinch analysis and linear programming. In most cases, it is normally assumed that the stream flow rates and quality levels are deterministic. This paper presents a fuzzy mathematical programming model for the synthesis of water networks when the model parameters exhibit fuzzy uncertainties. The modeling approach is illustrated for three water network case studies adapted from literature. These illustrative examples cover concentration- and property-based stream quality indices, as well as single- and multiple-plant water integration.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie101025p

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3675–3685

Titre :	Water allocation network design concerning process disturbance
Type de document :	texte imprimé
Auteurs :	Xiao Feng, Auteur ; Renjie Shen, Auteur ; Xuesong Zheng, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3675–3685
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Water allocation network
Résumé :	Water system integration can effectively reduce freshwater consumption and minimize wastewater discharge of a water-using system, but integration makes the resultant water network structurally more integrated among process units. Therefore, to design a flexible water allocation network that is easy to control becomes highly desirable. In this Article, a methodology is presented for water allocation network design with process disturbance taken into account. For a new design, the synthesized network structure can guarantee that the water system consumes minimum freshwater under both normal and disturbance conditions and with minimum number of control streams under disturbance. At the same time, the information needed to adjust flow rate under disturbance will be obtained. For an existing water system, an adjustment scheme under disturbance with minimum freshwater consumption for the existing structure will be obtained. The water network designed by the new methodology has the feature of minimum freshwater consumption and high flexibility under disturbance. Some case studies are used to demonstrate the method.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie100847s

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3660–3674

Titre :	Resource - task network approach to simultaneous scheduling and water minimization of batch plants
Type de document :	texte imprimé
Auteurs :	Cheng-Liang Chen, Auteur ; Chia-Yuan Chang, Auteur ; Jui-Yuan Lee, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3660–3674
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Water minimization multipurpose batch plants.
Résumé :	This paper presents a mathematical model for simultaneous scheduling and water minimization in multipurpose batch plants. The scheduling framework is based on the Resource-Task Network, with the objective function that represents the profit taking into account the net income from production and water-related costs. Because of the bilinear terms appearing in the mass balance equations, the overall formulation is a mixed-integer nonlinear program, which is generally more difficult to solve than a mixed-integer linear program or a nonlinear program. A solution strategy that involves relaxation linearization is therefore developed to facilitate the computation. Two literature examples are used to illustrate the proposed approach.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie1007536

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp.3653–3659

Titre :	A model-based search strategy for exhaustive identification of alternative water network designs
Type de document :	texte imprimé
Auteurs :	Bao-Hong Li, Auteur
Année de publication :	2011
Article en page(s) :	pp.3653–3659
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Water network designs
Résumé :	A systematic procedure is proposed in this paper to identify all optimal single-contaminant water-using networks by solving a series of three mathematical programming models. In particular, a linear programming (LP) model is adopted in this procedure to minimize the operating costs incurred from freshwater consumption and wastewater treatment, and a mixed-integer linear program (MILP) is then utilized for minimizing the total number of interconnections in the network while keeping the total operating cost at its lowest level. The third model is also a MILP model, which is used to minimize the total throughput and generate all alternative designs under the conditions of fixed minimum operating costs and interconnection number. Notice that, since the nonlinear mass-balance constraints are all converted to linear form in the proposed models according to the necessary conditions of optimality (Savelski and Bagajewicz, 2000), the convergence of the corresponding optimization processes can always be guaranteed. The solution pool technique provided by the CPLEX II solver within GAMS environment has been adopted to search for all optima. Four examples are presented in this paper to demonstrate the effectiveness of the proposed approach.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie100310g

[article]
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 3636–3652

Titre :	Dynamic water network topology optimization of batch processes
Type de document :	texte imprimé
Auteurs :	Elena-Lacramioara Dogaru, Auteur ; Vasile Lavric, Auteur
Année de publication :	2011
Article en page(s) :	pp. 3636–3652
Note générale :	Chimie industrielle
Langues :	Anglais (eng)
Mots-clés :	Dynamic Optimization
Résumé :	A water network (WN) for a batch process could be seen as a dynamic structure which changes its topology at fixed time intervals delimited by events. During each time interval, the WN could be abstracted into an oriented graph, using a secondary ranking criterion, apart from schedule. The optimization strategy implies ordering the batch units twofold: by time, according to the predefined task schedule of each water-using unit (WU), and by maximum allowable outlet concentration of contaminants, the latter being consistent with the principle of driving force equipartition across the process. This paper focuses upon two aspects: (a) the optimization of the WN topology particular to each period, in close correlation to the storage tank behavior and (b) the dynamics of this optimized topology, as the batch process runs sequentially toward its completion. The objective is to minimize the fresh water consumption by raising the internal wastewater reuse between water-using units or from the storage tank (ST). The aforementioned optimization of the mathematical model, consisting of a system of differential algebraic equations with restrictions, is carried out using genetic algorithms, which generate the internal flows appropriate for each time window structure. A synthetic network of six WUs, three contaminants, one fresh water source, and one ST is presented and optimized under various scenarios, and the obtained results are analyzed and discussed.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie100284t

Industrial & engineering chemistry research / Paul, Donald R. . Vol. 50 N° 7

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