Catalogue en ligne Bibliothèque Ecole Nationale Polytechnique d'Alger

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6591-6597

Titre :	Prediction of H2S and CO2 solubilities in aqueous triethanolamine solutions using a simple model of kent – eisenberg type
Type de document :	texte imprimé
Auteurs :	Wael A. Fouad, Auteur ; Abdallah S. Berrouk, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6591-6597
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Modeling Solubility Carbon dioxide Hydrogen sulfides Prediction
Résumé :	Absorption of acid gases (H2S and CO2) by aqueous solutions of alkanolamines is the most commonly used process in the gas treatment industry. Recent process investigations on the use of triethanolamine (TEA) show its potential to render the gas sweetening operation more energy efficient in particular when mixed to methyldiethanolamine (MDEA). This paper presents a simple model of Kent-Eisenberg type that computes the dissociation of the protonated triethanolamine (TEA) equilibrium constant The model can be used to correlate mixed acid gases solubility data over 2, 3.5, and 5 M of aqueous TEA solutions at 50, 75, and 100 °C. Results for the new model shows high fitting percentage errors for both acid gases; however, the model was able to predict H2S and CO2 partial pressures accurately for another set of unfitted data. Despite the highly fitted percentage errors, the model was used as an initial guess for a different Kent-Eisenberg model which resulted into a significantly lower percentage error at 50°C.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867310

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6586-6590

Titre :	Solubility of flavonoids in pure solvents
Type de document :	texte imprimé
Auteurs :	Olga Ferreira, Auteur ; Simao P. Pinho, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6586-6590
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Solubility
Résumé :	The fast and efficient selection of food-approved solvents is required for a growing number of flavonoids that are continuously being tested for their nutraceutical properties. Solid―Hquid equilibrium is an essential source of information for the design of extraction, precipitation, or crystallization processes in the food industry. In this context, the nonrandom two-liquid segment activity coefficient thermodynamic model showed to be an appropriate tool to represent the solubility of several key flavonoids (apigenin, genistein, hesperetin, luteolin) in pure solvents, suggesting its ability to predict solubility in solvents not considered during the correlation procedure. For substances with unknown melting properties the reference solvent approach was successfully applied. Additionally, new solubility data of S-hesperetin in the pure solvents acetone, ethanol, ethyl acetate, methanol, and acetonitrile was measured, between 25 and 40 °C, by the shake-flask method.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867309

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6580-6585

Titre :	Crossover volume translation soave – redlich – kwong equation of state for fluids
Type de document :	texte imprimé
Auteurs :	Xin-Hao Xu, Auteur ; Yuan-Yuan Duan, Auteur ; Zhen Yang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6580-6585
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Thermodynamic properties Equations of state
Résumé :	The crossover method can be used in the classical equations of state (EOSs) to study the singular behavior of fluids in the critical region. However, this usually involves introducing additional system-dependent parameters and changing the values of classical parameters in the EOS with curve fits that require large amounts of experimental data. This work presents a crossover volume translation Soave-Redlich-Kwong (SRK) equation of state with unchanged classical parameters and crossover parameters either set as constants or determined solely by the critical compressibility factor. This EOS is used to describe the VLE and ppT data of 16 fluids (n-alkanes from methane to hexane, Ar, N2, O2 CO2, CO, H2S, SO2, R22, R125, and R245fa) to show that the crossover volume translation SRK EOS can accurately predict experimental data both far from and near the critical point.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867308

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6571–6579

Titre :	Bubble size distribution in two - dimensional gas – solid fluidized beds
Type de document :	texte imprimé
Auteurs :	S. Movahedirad, Auteur ; A. Molaei Dehkordi, Auteur ; M. Banaei, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6571–6579
Note générale :	Industrial chemisrty
Langues :	Anglais (eng)
Mots-clés :	Gas Solid Fluidized
Résumé :	In this article, the digital image analysis (DIA) technique has been used to study the bubble size and bubble size distribution evolution in a pseudo-two-dimensional gas–solid fluidized bed. In addition, a numerical discrete bubble model (DBM) based on the bubble–bubble interactions was developed and the model predictions were compared with the experimental data. The developed model can predict the bubble size and bubble size distribution through the bed height and the lateral distribution of bubbles. Comparison between model predictions and the result of DIA measurements shows that bubble breakage has a significant effect on the bubble size distribution especially at heights far from the distributor plate. Moreover, lateral bubble distribution of the bed was investigated.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie300027p

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6563-6570

Titre :	Density functional theory study on the mechanism of calcium sulfate reductive decomposition by carbon monoxide
Type de document :	texte imprimé
Auteurs :	Xuemei Zhang, Auteur ; Xingfu Song, Auteur ; Ze Sun, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6563-6570
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Density functional method
Résumé :	The reductive decomposition of calcium sulfate (CaSO4) to calcium sulfide (CaS) was one of the most important methods for anhydrite resource utilization. When CaSO4 was decomposed reductively by carbon monoxide (CO), usually there were CaS and/or calcium oxide (CaO) in the decomposition products of CaSO4 depending on the reaction temperature and readant concentrations. In this paper, the mechanism of CaSO4 reductive decomposition by CO was studied in the framework of density functional theory (DFT). In the calculation, the exchange-correlation term was approximated by Perdew―Wang (PW91), a functional within the generalized gradient approximation (GGA) family. To study the interaction of CO and CaSO4, the transition states of CaSO4 decomposition and the minimum energy path (MEP) were analyzed. The results showed that the CaS product could be obtained when CaSO4 was reduced by CO with the 4:1 stoichiometric ratio of CO and CaSO4, and the decomposition of CaSO4 to CaSO3 was the rate-determining step, and activation energy in this step was 191.19 kJ/mol. With the inaease of the reaction temperature, the CaO product could be obtained with a 1:1 stoichiometric ratio of CO and CaSO4, and the activation energy is 318.28 kj/mol during the process. It was found that the CaS product was formatted at a lower reaction temperature and a higher mole ratio of CO and CaSO4, and the CaO product was preferred at a higher reaction temperature and a lower mole ratio of CO and CaSO4.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867306

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6537–6562

Titre :	Prediction of pressure, temperature, holdup, velocity, and density distribution for steady - state bubbly gas three - phase flow in high - temperature – high - pressure (HTHP) wells
Type de document :	texte imprimé
Auteurs :	Jiuping Xu, Auteur ; Yunqiang Liu, Auteur ; Shize Wang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6537–6562
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Gas Three-Phase Flow
Résumé :	In this paper, a coupled system model of partial differential equations (PDEs) concerning pressure, temperature, velocity, and holdup for a gas–oil–water three-phase steady flow in high-temperature–high-pressure (HTHP) wells is presented. A solution framework shared by the basic models is built, making it convenient to perform to solve. An algorithm solution model using the fourth-order Runge–Kutta method is given. Basic data from “X Well” (HTHP well, 7110 m deep, in Sichuan, PRC) is used as a case study for calculations and a sensitivity analysis is performed on the model. Pressure, temperature, velocity, and hold-up curve graphs, along with the depth of the well, are plotted at different depths. A trend and sensitivity analysis are conducted to test the parameter characteristics. In addition, a comparison between the present model and other models is conducted to illustrate the effectiveness of the model and the algorithm. The results provide both technical reliability for well test design in HTHP gas wells and provides a dynamic analysis of production.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2019917

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6529–6536

Titre :	Oxidative Degradation of Aqueous 2-Amino-2-methyl-1-propanol Solvent for Postcombustion CO2 Capture
Type de document :	texte imprimé
Auteurs :	Tielin Wang, Auteur ; Klaus-J. Jens, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6529–6536
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Solvents Oxidative
Résumé :	2-Amino-2-methyl-1-propanol (AMP) and the blends of AMP with other amines appear to be commercially attractive solvents for postcombustion CO2 capture by absorption/stripping. Oxidative degradation experiments involving AMP aqueous solutions were performed in a 200 mL glass batch reactor with initial AMP concentrations of 5 mol·kg–1, oxygen partial pressures of 250–350 kPa, and at temperatures of 100–140 °C in order to elucidate the degradation mechanistic pathways. The amine loss was determined by cation ion chromatography (IC), while the degradation compounds were identified and quantified by gas chromatography–mass spectrometry (GC–MS) and anion IC. The possible chemical pathways of AMP oxidative degradation are proposed on the basis of the identified and quantified products and the context of the current amine degradation schemes. The role of O2 in the proposed pathways is much more explicit than the previously proposed MEA oxidation mechanisms.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie300346j

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6520-6528

Titre :	Adsorption – desorption of Cd(II) and Pb(II) on Ca - montmorillonite
Type de document :	texte imprimé
Auteurs :	Yan Li, Auteur ; Ji-de Wang, Auteur ; Xiao-jun Wang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6520-6528
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Montmorillonite Desorption Adsorption
Résumé :	The adsorption and desorption of Cd(II) and Pb(II) on Ca-montmorillonite have been investigated. The maximum removal efficiency of Cd(II) reaches 98% at the initial concentration of 50.00 mg L―1, while it is about 70% for Pb(II) at the initial concentration of 58.79 mg L―1. Experimental results indicate that adsorption reactions of Cd(II) and Pb(II) on Ca-montmorillonite agree well with second-order kinetics and the Langmuir isotherm model. Cd(II) and Pb(II) on Ca-montmorillonite are successfully desorbed by NaCl solution of high concentration. Data shows that desorption efficiencies are mainly influenced by the concentration of NaCl and temperature. The optimum desorption concentrations of NaCl for Cd(II) and Pb(ll) are 1 mol L―1 and 3 mol L―1, respectively, where the adsorption efficiencies can reach 93% and 83%. The results of 4-time consecutive adsorption-desorption show that the method of desorption by NaCl solution is efficient and practical. Samples before and after adsorption or desorption have been characterized by X-ray diffraction, which are consistent with the results mentioned above.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867303

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6513-6519

Titre :	Effect of water adsorption on retention of structure and surface area of metal – organic frameworks
Type de document :	texte imprimé
Auteurs :	Paul M. Schoenecker, Auteur ; Cantwell G. Carson, Auteur ; Himanshu Jasuja, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6513-6519
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Surface area Retention Adsorption
Résumé :	This work presents an experimental investigation of water adsorption in metal―organic frameworks (MOFs) at room temperature and up to 90% relative humidity. Structural degradation of the materials after regeneration is analyzed via powder X-ray diffraction (PXRD) and nitrogen adsorption measurements. MOFs with open metal sites are quite hydrophilic but appear to maintain their structure according to PXRD. However, significant surface area loss indicates that decomposition is occurring and is likely an attribute of oxygen presence during the regeneration procedure. Materials with copper paddle-wheel (HKUST-1), 5-coordinated magnesium (Mg MOF-74), and 7-coordinated zirconium (UiO-66(-NH2)) maintain good structural stability, while Zn-COOH containing MOFs (DMOF-1; DMOF-1-NH2; UMCM-1) undergo complete loss of crystallinity.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867302

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6502-6512

Titre :	Measurement of diffusivity and thermal parameters of gas adsorption with a volumetric method
Type de document :	texte imprimé
Auteurs :	Chunxia Long, Auteur ; Jianyu Guan, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6502-6512
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Adsorption Diffusion coefficient
Résumé :	A volumetric method was developed to measure diffusivity, gas-solid heat transfer coefficient, thermal conductivity of an adsorbent, and dynamic heat of adsorption simultaneously for pure gas adsorption. Dynamic pressures in the two vessels and dynamic temperatures along the radial direction of the spherical adsorption vessel were measured, and the mathematical model was constructed for the adsorption process. The adsorption isotherms at temperatures from 6 to 60 °C and pressures up to 10 bar are correlated with Toth equation. The parameters were determined by the method of least-squares. Mass transport of N2 or O2 in the macropores of zeolite SA is considered as the combination of the viscous flow and Knudson diffusion. Temperature difference between the gas and adsorbent in the adsorption vessel exists during the early about 15 s of the adsorption process and disappears afterward. The dynamic heat of adsorption changes more rapidly with the adsorption coverage than the isosteric heat. In simulating the dynamic process, the dynamic heat rather than the isosteric heat should be used in the mathematical model.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867301

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6489-6501

Titre :	Thermodynamic insights on the feasibility of homogeneous batch extractive distillation. 4. azeotropic mixtures with intermediate boiling entrainer
Type de document :	texte imprimé
Auteurs :	Ivonne Rodriguez-Donis, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6489-6501
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Boiling Azeotropic mixture Extractive distillation Batchwise
Résumé :	This paper shows how knowledge of the univolatility and unidistribution line location and residue curve analysis help to assess the feasibility of batch extractive rectifying or stripping distillation of azeotropic mixtures by using an intermediate boiling entrainer. We consider five minimum boiling (minT) azeotropic mixtures AB with entrainer E, namely, acetone-heptane with benzene, methanol-toluene with triethylamine, methyl acetate―cyclohexane with carbon tetrachloride, dichloromethane— ethanol with acetone, and ethyl acetate-heptane with benzene; and one maximum boiling (maxT) azeotropic mixture, namely, chloroform―ethyl acetate with either 2-chlorobutane, isobutylchloride, bromopropane, or bromochloromethane. All ternary diagrams A―B―E belong to the 1.0-1b class, for which all three possible univolatility, αAB, αBE, and aAE,and unidistribution lines, KA, KB, and KE can exist. With application of the general feasibility criterion of Rodriguez-Donis et al. (Ind. Eng. Chem. Res. 2009, 48 (7), 3544-3559), both azeotropic components, A and B, accomplish the criterion, and they can be recovered, A in an extractive rectifier and B in an extractive stripper. The process efficiency of each alternative depends strongly on the location of the αAB univolatility line interception with the triangle edge, and also depends on the αBE (αAE) in the minT (maxT) case and of the unidistribution line KE closeness to the (E-B) (A-E) edge. Besides, choice of the rectification of A instead of the stripping of B is set by the ratio of αAE/BE, the ratio of relative volatility variation of the binary mixtures between A or B and E.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867300

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6480-6488

Titre :	Selective liquid – liquid extraction of natural phenolic compounds using amino acid ionic liquids : A case of α - tocopherol and methyl linoleate separation
Type de document :	texte imprimé
Auteurs :	Xiaolei Ni, Auteur ; Huabin Xing, Auteur ; Qiwei Yang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6480-6488
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Ionic liquid Liquid liquid extraction
Résumé :	Amino acid ironic liquids (AAlLs) with different amino acid anions were investigated in the selective separation of a typical natural phenoliç product, α-tocoperol, from its mixture with methyl linoleate by liquid―liquid extraction. A large separation selectivity, suitable distribution coefficient, and adequate extraction capacity were achieved with the AAIL/N,V-dimethylformamide (DMF) mixture as extractant. The selectivity of α-tocopherol to methyl linoleate reached up to 29 when using [emim]Ala and [emim]Lys as the extractant diluted by DMF with mole ratio of AAIL to DMF 15:85, at least 9 times larger than that using DMF or common ILs as the extractant. The presence of diluents, DMF, can not only reduce the viscosity of IL phase, but could also lead to much larger distribution coefficients. Back extraction of α-tocopherol using hexane and reuse of AAIL were both tested. Solvatochromic and infrared spectra measurements were used to investigate the mechanism of α-tocopherol extraction with ILs. A dose linear relationship can be drawn between the distribution coefficients of α-tocopherol and the hydrogen-bond basicity (β) of the extraction solvents, and also between the selectivites and the β values.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867299

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6470-6479

Titre :	Mass transfer performance of CO2 absorption into aqueous solutions of 4 - diethylamino - 2 - butanol, monoethanolamine, and N - methyldiethanolamine
Type de document :	texte imprimé
Auteurs :	Abdulaziz Naami, Auteur ; Mohamed Edali, Auteur ; Teerawat Sema, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6470-6479
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Aqueous solution Gas absorption Carbon dioxide Mass transfer
Résumé :	The mass transfer performance of the absorption of CO2 in an aqueous solution of monoethanolamine was evaluated experimentally in a lab-scale absorber packed with high efficiency DX structured packing and compared with that of methyldiethanolamine (MDEA) as well as that of a newly developed tertiary amino alcohol, 4-diethylamino-2-butanol (DEAB). The absorption experiments were conducted at atmospheric pressure, using a feed gas mixture containing 14.9% CO2 and 85.1% nitrogen in an absorption column containing DX structured packing. The absorption performance was presented in terms of the CO2 removal efficiency, absorber height requirement, effective interfacial area for mass transfer, and overall mass-transfer coefficient (KGav). In particular, the effects of parameters such as inert gas flow rate and liquid flow rate were compared for both DEAB and MDEA. The results show that the DEAB has a much higher removal efficiency for CO2 along the height of the column than MDEA. Also, the KGav of DEAB was much higher than that for MDEA. For all the solvents, the KGav, increased as the liquid flow rate was increased. An empirical correlation for the mass transfer coefficient for the CO2-DEAB system has been developed as a function of the process parameters. In terms of comparison, the results show that the DEAB system provided an excellent overall mass transfer coefficient, which is higher than that of the MDEA system but less than that of MEA.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867298

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6461-6469

Titre :	Removal of mono - and multicomponent BTX compounds from effluents using activated carbon from coconut shell as the adsorbent
Type de document :	texte imprimé
Auteurs :	Selene Maria de Arruda Guelli Ulson de Souza, Auteur ; Adriana Dervanoski da Luz, Auteur ; Adriano da Silva, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6461-6469
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Activated carbon
Résumé :	The adsorption of benzene, toluene, and o-xylene (BTX) in monocomponent and multicomponent aqueous solutions onto activated carbon was studied in a batch reactor at 23 °C for wastewater reuse. The kinetics and thermodynamic equilibrium parameters were obtained for all compounds, where the competitiveness for the active site of adsorption was investigated. The results showed that the order of monocomponent adsorption of these three contaminants is o-xylene > toluene > benzene, and in the multicomponent mixture o-xylene is the most competitive contaminant for the active site of adsorption. The adsorption kinetics were fitted to the homogeneous diffusion model, giving linear correlation coefficients higher than 0.96. The Langmuir isotherm provided the best fit with the monocomponent experimental data. In this study, the multicomponent mixture isotherms were obtained and compared to the models found in the literature.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867297

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6455–6460

Titre :	Improvement on the simultaneous optimization approach for heat exchanger network synthesis
Type de document :	texte imprimé
Auteurs :	Guoqing Li, Auteur ; Yushu Luo, Auteur ; Yong Xia, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6455–6460
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Optimization Heat exchanger
Résumé :	In this article, three corrections are applied to improve the simultaneous optimization synthesis approach (SOSA) of heat exchanger networks (HENs). First, the temperature-dependent characteristics of process streams are considered in calculating their heat capacities, which are regarded as constant within a defined temperature interval; second, splitters and mixers of streams located in the network are listed as investment items, resulting in more detailed HEN cost calculations; third, a group of heuristic rules is suggested to cancel superstructure matches that are impossible in terms of engineering or thermodynamics before the optimization calculation, making the simultaneous optimizations on both investment cost and utility consumption charge available while also saving significant computation time. Based on these corrections, an improved SOSA is developed in which an MINLP model is solved by the use of genetic algorithms to avoid being trapped in a local optimum. A case study shows that this approach realizes significant progress in both precision and computation-time savings.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie202271h

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6441-6454

Titre :	A mixed - integer linear programming model for optimizing the scheduling and assignment of tank farm operations
Type de document :	texte imprimé
Auteurs :	Sebastian Terrazas-Moreno, Auteur ; Ignacio E. Grossmann, Auteur ; John M. Wassick, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6441-6454
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Mathematical programming Scheduling Optimization Modeling Mixed integer programming Linear programming
Résumé :	This paper presents a novel mixed-integer linear programming (MILP) formulation for the tank farm operation problem (TFOP), which involves the simultaneous scheduling of continuous multiproduct processing lines and the assignment of dedicated storage tanks to finished products. The objective of the problem is to minimize blocking of the finished lines by obtaining an optimal schedule and an optimal allocation of storage resources. The novelty of this work is the integration of a tank assignment problem with a scheduling problem where a dedicated storage tank has to be chosen from a tank farm given the volumes, sequencing, and timing of production of a series of products. The scheduling part of the model is based on the multioperation sequencing (MOS) model by Mouret et al. (Mouret, S.; Grossmann, L E.; Pestiaux, P. Time representations and mathematical models for process scheduling problems. Comput. Chem. Eng. 2011, 35, 1038―1063). The formulation is tested in three examples of different size and complexity.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867295

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6429-6440

Titre :	Mathematical modeling of a single - stage, downward - firing, entrained - flow gasifier
Type de document :	texte imprimé
Auteurs :	Job S. Kasule, Auteur ; Richard Turton, Auteur ; Debangsu Bhattacharyya, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6429-6440
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Modeling Gasifier
Résumé :	Gasifiers are the centerpieces of coal-fired integrated gasification combined cycle (IGCC) plants. Mathematical models of gasifiers have been developed in recent literature to describe the physical and chemical processes taking place inside the reactor vessels. These models range from simple one-dimensional (1D) steady-state equilibrium models to higher-order, sophisticated, dynamic 2D and 3D computational fluid dynamics (CFD) models that describe coupled gas―solid hydrodynamics, heat and mass transfer, and reaction kinetics over the complex gasifier geometry. In the current work, a 1D steady-state model of a single-stage, downward-firing, oxygen-blown, slurry-fed, entrained-flow gasifier has been developed for use in the context of IGCC process simulation. In this mathematical model, mass, momentum, and energy balance equations for solid and gas phases are considered. The model includes a number of heterogeneous and homogeneous chemical reactions along with devolatilization and drying of the slurry feed. The solid-gas heterogeneous reaction rates are calculated using the unreacted shrinking-core model A detailed model of the radiative heat transfer has been developed considering interactions between the solids and all internal gasifier surfaces (side wall, top, and bottom surfaces), as well as interactions between the surfaces themselves. No a priori wall temperature profile is assumed in this model. The heat loss from the gasifier wall to the environment is also considered in the energy balance equations. In slurry-fed gasifiers, recirculation near the inlet of the gasifier is promoted by rapid mixing of the slurry feed with a portion of the hot reaction products. This violent mixing results in a significant rise in temperature that helps in evaporating the water and devolatilizing the coal. The recirculation is achieved by appropriately designing the feed burner and feeding the oxygen through a swirling annular injector. In the current gasifier model, a heuristic recirculation model has been developed and the conservation equations have been appropriately modified. The equations describing the gasifier are formulated as a set of ordinary differential equations (ODEs) in Aspen Custom Modeler (ACM). The ODEs are discretized using finite differences, and the resulting highly nonlinear system of algebraic equations is solved using a Newton-type method. The gasifier model is then validated using pilot plant and industrial data. This paper presents a number of parametric studies that have been performed using the 1D steady-state gasifier model to provide insight into the gasifier performance as the inlet and operating conditions change. Results are presented as profiles for species concentration and gas, solid, and wall temperatures. The effect of coal feed types on composition are also presented. In addition, a radiant syngas cooler (RSC) model has been developed in Aspen Plus and coupled with the gasifier model, thereby enabling the RSC exit stream composition to be compared to available industrial data.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie202121h

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6416-6428

Titre :	Moving - window GPR for nonlinear dynamic system modeling with dual updating and dual preprocessing
Type de document :	texte imprimé
Auteurs :	Wangdong Ni, Auteur ; Soon Keat Tan, Auteur ; Wun Jern Ng, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6416-6428
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Updating Modeling
Résumé :	The characteristics of nonlinearity and time-varying changes in most industrial processes usually cripple the predictive performance of conventional soft sensors. In this article, moving-window Gaussian process regression (MWGPR) is proposed to effectively capture the process dynamics and to model nonlinearity simultaneously. Applications of the proposed MWGPR method to the modeling of the activity of a catalyst and an industrial propylene polymerization process are presented. The results clearly demonstrate that the MWGPR method effectively tracks the process changes to generate satisfactory predictive performance. Two modeling strategies, namely, dual updating and dual preprocessing, are applied to MWGPR, in an attempt to more efficiently track the process dynamics. Dual updating takes into account both the time-varying variance of the process and the bias between the actual measurement and the model prediction. The improvement in performance is illustrated by a case study on modeling catalyst activity. Simultaneous removal of embedded noise in both process parameters and process output variables by dual preprocessing could significantly improve the predictive capability of MWGPR, as illustrated by the performance of a modeling study of an industrial propylene polymerization process.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867293

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6404-6415

Titre :	Application of intelligent integrated optimization system for raw material proportioning in lead – zinc sintering blending process
Type de document :	texte imprimé
Auteurs :	Chun-Sheng Wang, Auteur ; Min Wu, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6404-6415
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Sintering Proportioning Raw materials Optimization
Résumé :	The blending process as the first working procedure in lead-zinc sintering processes (LZSP) is a key step to guarantee the quality of products in the lead-zinc sintering production. This paper presents an intelligent integrated optimization system (IIOS) with a hierarchical configuration for raw material proportioning in the lead-zinc sintering blending process (LZSBP). First, considering the relationships between the mixture ratio and the production indices, back-propagation neural network (BPNN) models are established to predict the agglomerate compositions. Then, a raw material proportioning optimization strategy (RMPOS) is proposed to determine an optimal mixture ratio and actualize the optimization of the blending process. The proportioning optimization is implemented through qualitative and quantitative synthetic optimization for the primary proportioning, the zone optimization for the secondary proportioning, and the intelligent coordination between them. The practical running results demonstrate the validity of the proposed optimization strategies.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867292

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6395-6403

Titre :	Control of the damping properties of magnetorheological elastomers by using polycaprolactone as a temperature - controlling component
Type de document :	texte imprimé
Auteurs :	Xinglong Gong, Auteur ; Yanceng Fan, Auteur ; Shouhu Xuan, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6395-6403
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Magnetorheological Elastomers
Résumé :	A novel kind of magnetorheological elastomers (MREs) with controllable damping properties was developed in this study. Polycaprolactone (PCL) was selected as the temperature-controllable component in the cis-polybutadiene rubber (BR) based MREs. Several samples with different BR/PCL mass ratio matrixes were prepared. The dynamic performances of the samples, including loss factor, shear storage modulus, and loss modulus, were measured with a rheometer. Differential scanning calorimetry (DSC) analysis indicated that PCL is a phase change material and it can transform from a semicrystalline solid to a liquated soft material by increasing the surrounding temperature above the PCL melting point. Experimental results showed that the damping properties of the MREs can be controlled by varying the PCL weight ratio, the temperature, and the magnetic field. The controlling mechanism was proposed and the influence factors were analyzed. Last, it was also observed that the magneto-induced modulus and the MR effect of the MREs were changed remarkably by the added PCL under different temperatures.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie300317b

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6387-6394

Titre :	Morphology and catalytic performance of flake - shaped NiO - yttria - stabilized zirconia (YSZ) particles with nanocrystalline YSZ grains
Type de document :	texte imprimé
Auteurs :	Yuzhou Wu, Auteur ; Wang, Wei, Auteur ; Kun Wang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6387-6394
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Catalytic reaction Morphology
Résumé :	The flake-shaped NiO-yttria-stabilized zirconia (YSZ) particles with nanocrystalline YSZ grains were synthesized using the sucrose-concentrated H2SO4, dehydration reaction, and their microstructure was characterized by scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM). To evaluate the properties of the flakeshaped NiO-YSZ particles as the anode materials for solid oxide fuel cells, the reduction temperature of the flake-shaped NiO-YSZ particles and catalytic activity on the methane steam/CO2 reforming reactions of the H2-reduced particles as well as the electrochemical impedance spectra of the YSZ supported symmetrical cells with the electrodes made from these particles were examined in comparison with the mixed commercial NiO-YSZ. HRTEM revealed that the nanocrystalline YSZ was dispersed in the NiO matrix and distributed on the surface of the flake-shaped NiO-YSZ particles. The catalytic performance of the flake-shaped NiO-YSZ particles was better than that of the mixed commercial NiO-YSZ in both steam reforming and CO2 reforming of methane. The symmetrical cell made from the flake-shaped NiO-YSZ exhibited a much lower polarization resistance at the operating temperatures below 800 °C than that made from the mixed commercial NiO-YSZ.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867290

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6377-6386

Titre :	Experimental and theoretical study on the inhibition performances of quinoxaline and Its derivatives for the corrosion of mild steel in hydrochloric acid
Type de document :	texte imprimé
Auteurs :	JiaJun Fu, Auteur ; HaiShan Zang, Auteur ; Ying Wang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6377-6386
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Mild steel Corrosion
Résumé :	The inhibition of mild steel corrosion in 1.0 M HCl solution by quinoxaline and its derivatives were evaluated at 25 °C using weight loss measurement and Tafel polarization technique. These measurements reveal that the inhibition efficiency increased with increase in the concentrations of inhibitors, and the inhibition efficiencies decrease in the order 4-(quinoxalin-2-yl)phenol (PHQX) > 2-quinoxalinethiol (THQX) > 2-chloroquinoxaline (CHQX) > quinoxaline (QX). Tafel polarization curves show that all the investigated inhibitors act as mixed-type inhibitors. Quantum chemical calculation was applied to correlate electronic structure parameters of quinoxaline and its derivatives with their inhibition performances. Molecular dynamics simulations were also used to optimize the equilibrium configurations of the inhibitor molecules on the iron surface. The efficiency order of the studied inhibitors obtained by experimental results was verified by theoretical calculations.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867289

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6364-6376

Titre :	Numerical study of dynamics of bubbles using lattice boltzmann method
Type de document :	texte imprimé
Auteurs :	Sumana Ghosh, Auteur ; Arup K. Das, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6364-6376
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Dynamics Bubbles
Résumé :	The dynamics of gaseous bubbles inside a tube filled with liquid has been modeled using the lattice Boltzmann method The diffused interface concept has been used to capture the shape of the complex interface separating two phases having high density ratio. Hydrodynamics of rising bubble inside the tube is studied in detail. Properties like densities of the phases, viscosity of the liquid, and surface tension are varied to evaluate their effects on the final shape as well as on the terminal velocity of the bubble. The volume of the bubble and the diameter of tube are also varied over a wide range to establish the effect of initial conditions on shape and the terminal velocity. Further attempts have been made to study the interaction of multiple bubbles consisting of arrays in horizontal and vertical forms. Shape distortion of one bubble due to the influence of other and merging of two bubbles due to their different uprising velocities are numerically modeled. Finally, numerical simulation is made to model Rayleigh Taylor instability which matches well with the literature.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie201445d

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6356-6363

Titre :	Calcined, rare earth modified hydrotalcite as a solid, reusable catalyst for dimethyl carbonate synthesis
Type de document :	texte imprimé
Auteurs :	P. Unnikrishnan, Auteur ; D. Srinivas, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6356-6363
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Catalyst Calcining
Résumé :	An eco-friendly building block and fuel additive—dimethyl carbonate (DMC)-was synthesized through a benign route by transesterification of propylene carbonate (PC) with methanol. The catalytic activity of a series of calcined, rare earth elements (La3+, Ce3+, Pr3+, Sm3+, and Y3+; 2-10 mol %) incorporated Mg―Al hydrotalcites (HT) was evaluated for this reaction. Among several, the La (8 mol %) modified HT showed the highest activity (PC conversion = 65.4 mol % and DMC selectivity = 88 mol % at 150 °C and in 2 h). Basicity of the catalyst played an important role on the transesterification activity. The influence of reaction parameters and calcination temperature on the catalytic activity of HT was investigated. The La modified HT catalyst was heterogeneous and could be reused with little loss of activity.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867287

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6340-6349

Titre :	Determination of adsorption and kinetic parameters for transesterification of methyl acetate with hexanol catalyzed by ion exchange resin
Type de document :	texte imprimé
Auteurs :	Emine Sert, Auteur ; Ferhan Sami Atalay, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6340-6349
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Ion exchange resin Catalytic reaction Transesterification Kinetic parameter Adsorption
Résumé :	The transesterification of methyl acetate and 1-hexanol catalyzed by the cation exchange resin Amberlyst-131 was studied to obtain optimum operating parameters, adsorption parameters, and kinetic parameters. The effects of temperature, molar ratio of ester to alcohol, stirrer speed, and catalyst loading on the reaction rate were investigated. The chemical equilibrium constants were obtained from kinetic experiments and theoretically from standard thermodynamic properties at temperatures of 333, 338, 343, and 348 K. The experimental data were tested with the pseudohomogeneous and adsorption based models. The activity coefficients were estimated using UNIQUAC to account for the nonideal thermodynamic behavior of reactants and products for both models. The activation energy for the transesterification reaction was found to be 37.8 kJ mol―1 by the Langmuir―Hinshelwood―Haugen―Watson (LHHW) model, which correlates the experimental data.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867285

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6340-6349

Titre :	The phase behavior effect on the kinetics of transesterification reactions for biodiesel production
Type de document :	texte imprimé
Auteurs :	Stephen N. Csernica, Auteur ; James T. Hsu, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6340-6349
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Production Transesterification Kinetics
Résumé :	The phase behavior effect on the kinetics of transesterification reactions is investigated in this study. First, the partition coefficient of the catalyst, KOH, was determined. It was found that the vast majority of the catalyst resides in the methanol phase; thus this phase is taken as the primary reaction volume. Mass transfer studies of soybean oil triglycerides show that triglycerides are in fact soluble in methanol. Additionally, it is shown that the rate of mass transfer and the equilibrium concentration of triglycerides in methanol increase with increasing methyl ester concentration Establishing the methanol phase as the primary reaction volume facilitated the thorough investigation of the rate-limiting step. First, the terms mass transfer control and rcaction control are finally defined for transesterification reactions. Once properly defined, it is shown that the sigmoidal, or S-shaped, methyl ester production curve that is so often observed is not necessarily caused by a transition from a mass transfer controlled regime to a reaction controlled regime, as is so often speculated in the literature. Rather, it is shown that the cause of the acceleration, regardless of the rate-limiting step, is caused by a transition from a two-phase system to a single-phase system.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867285

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6327-6339

Titre :	Fundamental experiment and numerical analysis of a modular microcombustor with silicon carbide porous medium
Type de document :	texte imprimé
Auteurs :	K. J. Chua, Auteur ; W. M. Yang, Auteur ; W. J. Ong, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6327-6339
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Porous medium Numerical simulation Numerical analysis
Résumé :	The use of porous media in combustion processes has been widely researched and investigated. In this paper, the effect of employing porous media on microcombustion was studied using numerical simulation. Simulated results demonstrated good agreement with the experimental results, and thus validated the model. Analysis has been carried out with dimensional analysis and basic theorem which incorporates the Biot number in an attempt to fundamentally understand the effects brought about by equivalence ratio, thermal conductivity of the solid matrix and mass flow rate on microthermophotovoltaic (TPV) performance. One of the key results has demonstrated that the higher the equivalence ratio of the fuel/air mixture, the higher will be the mean wall temperature. A peak-shift phenomenon has been observed, where the position of maximum flame temperature shifts downstream away from the inlet at lower equivalence ratio. Results from the Biot number analysis has indicated that the higher the thermal conductivity of the wall is, the more uniform the wall temperature distribution will be. A lower mean wall temperature is obtained when the thermal conductivity of the solid matrix is installed at 50 W/mK, whereas higher mean wall temperatures can be achieved for either small (5 W/mK) or very large (500 W/mK) thermal conductivity. It is clearly evidenced that the performance of microcombustors can be markedly enhanced by incorporating a thermally effective porous medium. The theoretical understanding gained from the present research will facilitate the design of more energy efficient, stable and better controllable portable TPV on-field power systems.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867284

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6320-6326

Titre :	Effect of methanol on catalytic performance of HY zeolite for desulfurization of FCC gasoline by alkylation
Type de document :	texte imprimé
Auteurs :	Rong Wang, Auteur ; Yonghong Li, Auteur ; Benshuai Guo, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6320-6326
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Alkylation Desulfurization Zeolite Catalytic reaction
Résumé :	Desulfurization of FCC gasoline by alkylation over a solid acid catalyst is considered to be a viable and less costly path to meet environmental regulations of sulfur emissions. However, side reactions in this process lead to significant levels of coke which greatly reduce the catalyst lifetime. In this paper, experiments were designed in both real and simulated gasoline to investigate the effect of different concentrations of methanol on the catalytic behavior of HY zeolite in the alkylation process for desulfurization. The result showed that the presence of an appropriate amount of methanol in FCC gasoline (about 5 wt % of the feed) appeared to improve the catalyst selectivity for the alkylation of thiophenic compounds by decreasing the conversion of olefins to oligomers, which was favorable for prolonging the catalyst lifetime. Moreover, a deep investigation was also carried out by a theoretical calculation method of DFT to explain the reason for the advantageous effect of methanol on the catalyst performance in the desulfurization process.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867283

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6310-6319

Titre :	Reaction kinetics and mechanism of copper(II) catalyzed oxidative deamination and decarboxylation of ornithine by peroxomonosulfate
Type de document :	texte imprimé
Auteurs :	Paramasivam Suresh Kumar, Auteur ; Radhakrishnan Mohan Raj, Auteur ; Srinivasalu Kutti Rani, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6310-6319
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Oxidation Catalytic reaction Kinetics
Résumé :	Copper(II) catalyzed and uncatalyzed oxidation of ornithine by peroxomonosulfate (PMS) was studied in acetic acid–sodium acetate buffered medium (pH 3.6–5.2). The catalyzed reaction was 2.6 times faster than the uncatalyzed reaction. The catalytic constant kc obtained in this study was 0.15 mol–1 dm3 s–1. A negative value of entropy of activation obtained in this reaction revealed that the transition state was more rigid than the reactants. ESR spectral data ruled out the participation of free radical intermediate. Cyclic voltammetric and absorption studies confirmed the formation of copper–ornithine–PMS complex. HPLC analysis revealed that the product formed in this reaction was 4-aminobutanal, which was confirmed by NMR spectra.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867282

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6304-6309

Titre :	ZrO2 – MoO3 for the acetalization of 1,3 - propanediol from dilute solutions
Type de document :	texte imprimé
Auteurs :	Min Wu, Auteur ; Chun-long Li, Auteur ; Jin Zhang, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6304-6309
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Dilute solution
Résumé :	A reactive isolation approach for the recovery of 1,3-propanediol (1,3-PD) from dilute aqueous solutions was performed on ZrO2―MoO3 solid heterogeneous catalysts through a cyclic reaction with aldehyde to form acetals (2-methyl-1,3-dioxane, 2MD). The effects of catalyst composition, reaction temperature, reaction time, and optimal dose on the conversion rates of acetalization and hydrolysis were investigated. For ZrO2―10 wt % MoO3 prepared by the precipitation―impregnation method, the conversion rate of 1,3-PD in acetalization reached 95.7% at 60 °C for 2 h, and the acetals conversion in the hydrolysis reaction reached 97.0% at 100 °C for 10 h. The stability test showed that the 1,3-PD conversion rate still reached 87.3% after five cycles of use. In terms of the catalytic activity in acetalization, the 10 wt % catalyst exhibited much higher selectivity in the simulated fermentation liquid for 1,3-PD than ethanol, 2,3-butanediol, and glycerol. This indicates that ZrO2―10 wt % MoO3 mixed oxide has the best characteristics for the extraction of 1,3-PD from dilute aqueous solutions.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867281

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6297-6303

Titre :	Kinetics of xylose dehydration into furfural in formic acid
Type de document :	texte imprimé
Auteurs :	Kaisa Lamminpaa, Auteur ; Juha Ahola, Auteur ; Juha Tanskanen, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6297-6303
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Dehydration Kinetics
Résumé :	In this study, kinetics of formic add-catalyzed xylose dehydration into furfural and furfural decomposition was investigated using batch experiments within a temperature range of 130-200 °C. Initial xylose and furfural concentrations up to 0.2 and 0.08 mol/L, respectively, were used. The room temperature pH of the formic add catalyst solution was between 0.9 and 1.7. The kinetic model used was based on a specific acid catalysis model and included the prevailing hydrogen ion concentration in reaction conditions. The study showed that the modeling must account for other reactions for xylose besides dehydration into furfural. Moreover, the reactions between xylose intermediate and furfural play only a minor role. The study also showed that kinetic modeling of xylose and furfural decomposition reactions must take the uncatalyzed reaction in water solvent into account.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867280

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6290-629

Titre :	One well - placed methyl group increases the solubility of phenoxy boronsubphthalocyanine two orders of magnitude
Type de document :	texte imprimé
Auteurs :	Andrew S. Paton, Auteur ; Alan J. Lough, Auteur ; Timothy P. Bender, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6290-629
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Solubility
Résumé :	Boronsubphthalocyanine (BsubPc) derivatives are materials that have recently seen an increase in attention, particularily for application as colorants and functional materials in organic electronic devices. However, the solubilities of most BsubPc derivatives are too low to utilize solution-based processing techniques. Where there are derivatives that are soluble, they rely on the addition of large alkyl chains for solubilization the result of which is an increase in the molecular weight and a decrease of the specific absorptivity of the BsubPc. In this paper we disclose the identity of two mass-efficient, highly soluble BsubPc derivatives: 3-methylphenoxy-BsubPc and 3,4-dimethylphenoxy-BsubPc. We compare their solubilities and crystal packing structures to previously known BsubPc derivatives. We put forward a symmetry-based argument for the reason for their surprisingly high solubility wherein we treat the molecules as two separate fragments: the phenoxy group and the BsubPc group. The symmetry-based argument suggests that by ignoring the BsubPc fragment common to each derivative a better estimate of the relative solubilities can be estimated through previously established empirical formulas.
ISSN :	0733-9399
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867279

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6283–6289

Titre :	New amines for CO2 capture. IV. degradation, corrosion, and quantitative structure property relationship model
Type de document :	texte imprimé
Auteurs :	Sandrine Martin, Auteur ; Helene Lepaumier, Auteur ; Dominique Picq, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6283–6289
Note générale :	Industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Amines Corrosion
Résumé :	Degradation of 22 compounds was evaluated in stainless steel batch reactors at 140 °C for 14 days under a pressure of 0.5 MPa (mixture of 75% CO2, 20% N2, and 5% O2). For each run, two corrosion coupons, one carbon steel (XC38) and one stainless steel (304Ti), were immersed in aqueous solutions of amines to determine corrosion due to degraded solutions. Two additional coupons were put in the vapor phase above solutions. At the end of the run, corrosion rates were evaluated through weight-loss measurements. The amounts of remaining starting material were determined with a quantitative gas chromatography method. Corrosion and degradation data were compared with those of a benchmark molecule (MEA, monoethanolamine), tested under the same conditions. Results indicate that some molecules are less corrosive and have a better chemical stability than MEA. In addition, a quantitative structure property relationship (QSPR) model was built that can be applied to predict compound degradation.
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie2029877

[article]
in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6275-6282

Titre :	Recycling of acidic and alkaline solutions by electrodialysis in a treatment process for uranium oxide waste using a carbonate solution with hydrogen peroxide
Type de document :	texte imprimé
Auteurs :	Kwang-Wook Kim, Auteur ; Jun-Taek Hyun, Auteur ; Keun-Young Lee, Auteur
Année de publication :	2012
Article en page(s) :	pp. 6275-6282
Note générale :	industrial chemistry
Langues :	Anglais (eng)
Mots-clés :	Membrane separation Hydrogen peroxide Electrodialysis Recycling
Résumé :	In this work, an electrolytic system consisting of an electro-dialyzer and a gas-absorber was devised for recycling the carbonate salt solution produced in the process that uses a carbonate-hydrogen peroxide media for treating uranium-bearing wastes. The recovery characteristics of acidic and alkaline solutions in the electrodialysis system were investigated in a batch manner by changing several variables and then evaluated in continuous operation with an electro-dialyzers stacked system. When HNO3 and NaOH solutions from the effluent solution of NaNO3 after the treatment of uranium oxide waste were recovered by the electrodialysis system, the energy consumption required to treat the same amount of feed solution decreased with decreases in the applied current and in the applied voltage, even though it took a longer time. The electrodialysis yield to recover HNO3 and NaOH was proportional to the total electricity supplied in the system, regardless of whether the constant current or constant voltage operation mode was used.
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=25867277

Industrial & engineering chemistry research / Paul, Donald R. . Vol. 51 N° 18

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