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  • Chemical Engineering  (17,974)
  • Engineering General  (9,884)
  • 201
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2605-2608 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 202
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    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2911-2920 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The metering operation in the transfer-roll coating process is crucial for achieving a good uniformity and suitable thickness of the coating film. Experimental results carried out on a laboratory coater are reported. This coater mimics industrial flow conditions: it has a transfer roll and a metering-rod diameter similar to those found on a pilot coater, it operates at commercial speed, and the cover of the transfer roll is deformable. The experimental apparatus is described first. Then, a video analysis of the rib pattern is presented. Some interesting features are shown, in particular the existence of an inertia regime at high speed. The nip flow hydrodynamics are investigated using measurements of the pressure profile. It is shown that the film stability is strongly linked to the flow at the exit of the nip. The analysis of the maximum pressure in the nip, for various fluid viscosities and operating parameters, is represented using a master curve.
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  • 203
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2948-2959 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Transport models of diffusion-induced bubble growth and collapse in viscous liquids are developed and evaluated. A rigorous model for these important phenomena is formulated taking into account convective and diffusive mass transport, surface tension, and viscous and inertial effects. Predictions for bubble growth dynamics demonstrate the importance of viscous effects in the liquid surrounding the bubble for a wide range of conditions having relevance to polymer processing operations. It is also shown how previous models employing various approximations can be derived from the rigorous model by using different mathematical methods and dimensional analysis. Predicted bubble growth dynamics from the rigorous and approximate models are compared to establish the ranges of validity for two commonly used approximations. These comparisons indicate that models using a thin boundary-layer approximation have a rather limited range of applicability. A new approximate model, based on a previously published result, gives reasonably accurate bubble growth rate predictions with a significant reduction in computational effort.
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  • 204
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    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2997-3006 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Based on the absolute-rate theory, a consistent interpretation was provided for the dependence of surface-diffusion coefficient, Ds, on temperature and the amount adsorbed in various liquid-phase adsorption systems, such as the Langmuir-, Freundlich-and Jossens-type adsorption. It was demonstrated that a restricted molecular diffusion model for surface diffusion was useful for the analysis of the characteristic features of Ds. A formulation of Ds was derived based on the model and was applied to the analysis of surface-diffusion phenomena in various adsorption systems. The temperature dependence could be interpreted by assuming surface diffusion as an activated process. By taking into account the change in both the logarithmic slope of an adsorption isotherm and an adsorption potential, the concentration dependence of Ds could be interpreted irrespective of the type of the adsorption isotherms.
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  • 205
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 3042-3058 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Polymer reactor control problems often lack frequent measurements of polymer properties, while other reactor environment measurements, such as temperatures, are readily available. The experimental application of a new estimator for handling such multirate measurement systems is presented. The estimator, in conjunction with a detailed nonlinear model and all measurements at their respective sampling rates, is able to provide frequent predictions of the process variables related to the quality (weight-average molecular weight) and quantity (monomer conversion) of the polymer product. The experimental application of a multivariable, nonlinear model-based predictive controller using reactor temperature and initiator flow rate as the manipulated variables for controlling weight-average molecular weight and monomer conversion is presented. The control strategy is designed to handle control nonaffine systems (nonlinear in the manipulated variables), while allowing for the incorporation of rate and amplitude constraints on the manipulated variables. A continuous methyl methacrylate solution polymerization pilot plant was used for the experiment.
    Additional Material: 23 Ill.
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  • 206
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 3095-3104 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A mathematical model for a catalytic membrane reactor for oxidative coupling of methane (OCM), in which the membrane acts as an oxygen distributor to a bed of catalyst, is presented. From experimental data obtained using several silica membranes impregnated with Li and/or Na, which were prepared by the sol-gel method using alumina supports, the catalytic activity of the membrane was included in the so-called real membrane reactor (RMR) model. Then, the RMR performance was compared with that of the ideal membrane reactor (IMR), whose membrane was supposed to have no activity for the OCM and with experimental data obtained in membrane reactors. Since the membrane activity was implemented in the RMR model, for the first time in the literature, maxima in the hydrocarbon selectivity-methane conversion curves were predicted in agreement with previous experimental trends. Besides, the IMR performance was compared with that of the fixed-bed reactor (FBR), giving the maximum improvement of a membrane reactor over the FBR. Key factors for the future improvement of the performance in this kind of membrane reactor are deduced from these simulations.
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  • 207
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Active organic molecules are grafted on the xerogel silica matrix by using functionalized alkoxides f-R′-Si(OEt)3, where f is a chemical function and R′ is an alkyl spacer to limit the degrees of freedom of the molecules. Organic-inorganic hybrid films are prepared in which optically nonlinear DRl chromophores are covalently bound to the silica network. These films exhibit a large and stable second-order nonlinear coefficient from second harmonic generation experiments. Protoporphyrin molecules are attached double covalently to the xerogel matrix via flexible organic spacers. Persistent spectral holes are still burnt with moderate fluency at 120 K.
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  • 208
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2832-2836 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Partially polycondensed γ-aminopropylsilanetriol (APSTOL) was used as the silica precursor to prepare magnesium orthosilicate in the form of crystalline forsterite. Aqueous solutions of APSTOL and magnesium acetate were mixed and dried forming a water-soluble product that was converted into forsterite by heating to 1,000°C. The thermal evolution of the system was studied using TGA, FTIR, UV-VIS spectrophotometry, and XRD techniques, especially for the acetate decomposition and transformation of CSiO3-tetrahedra into the orthosilicate anions. The combustion of organics and the crystallization of forsterite proceed at temperatures 350 and 870°C, respectively. At intermediate temperatures, the system contains amorphous silicates with oligomeric and polymeric anions, which gradually depolymerize as temperature increases. The resulting crystalline product contains less impurities (periclase and enstatite) than samples prepared using other wet-chemistry techniques.
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  • 209
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: As a part of fundamental study on the kinetics of electroceramics processing by wet chemical methods, barium titanate precursor gel was prepared using barium acetate and titanium tetra-isopropapoxide as starting materials. Experimental results indicated that barium acetate was distributed uniformly in the gel matrix formed by hydrolysis and polymerization of titanium tetra-isopropoxide. In the subsequent calcination of the gel, rapid formation of barium titanate was observed above 823 K, which resulted from the reaction between titania and barium carbonate or barium oxide(s). The dynamics of barium titanate formation under different heat-up programs was successfully simulated based on a proposed reaction model that incorporates a specified reactive portion of barium acetate in the gel matrix.
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  • 210
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2857-2864 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Elemental depth profile examined using secondary-ion mass spectroscopy and structural profile examined using grazing-incident X-ray diffractometry were applied to analyze the growth behavior of Pb1-xLax(ZryTi1-y)O3 (PLZTO) and Pb1-xLaxTiO3 (PLTO) thin films deposited on a Si substrate. When deposited under a suitably high substrate temperature, the chamber's oxygen pressure was observed to substantially influence the structure of the films. Low oxygen pressures (PO2 〈 0.01 mbar) deteriorate crystal structure without altering the composition of the films. Deposition of a buffer layer enhanced the formation kinetics of PLZTO and PLTO films. However, sufficiently thick SrTiO3 (∼500 nm) layer was required to achieve this effect. Using (La0.5Sr0.5)CoO3/Pt materials as double-layer electrodes not only prevented the film-to-substrate interaction, but resulted in preferentially oriented thin films. Ferroelectric properties of the films were thus greatly improved, with remanent polarization (Pr) around 14 ∼ 16 μC/cm2, coercive force (Ec) around 50 ∼ 60 kV/cm, and relative dielectric constant (ε) around 900 ∼ 1,000.
    Additional Material: 9 Ill.
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  • 211
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2650-2656 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A process for synthesis of ultrafine ceramic particles using a high-temperature flame is described. Thermodynamic calculations for the Si-C-O-H system were performed using a computer program for calculation of complex chemical equilibrium compositions. Possible synthesis of ultrafine SiC partcles using Si, SiO, and SiO2 powders (1.0-3.0 μm) as Si sources was investigated using an electric furnace (5 kW) at 2,018 K. Particle products were characterized mainly by X-ray diffraction analysis, field emission scanning electron microscopy, and thermogravimetry-differential thermal analysis. Ultrafine particles (18-29 nm) of cubic SiC (β-SiC) could be produced through Si + CH4, SiO + CH4 and SiO2 + CH4 reaction systems, respectively. The effect of hydrogen addition on the synthesis of SiC was also investigated. Ultrafine particles of 96.0% SiC selectivity were obtained when H2 was added to the SiO + CH4 reaction system, and the CH4/SiO molar ratio in this case was 2.0.
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  • 212
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2670-2678 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Experimental investigations of high-temperature kinetics of Si-precursor molecules relevant to CVD and ceramic processing are described. Reaction systems using SiH4, Si2H6, and SiCl4 highly diluted in argon were studied in a shock tube, a high-temperature wave reactor, by monitoring in situ the concentrations of atomic or radical reactants Si, H, Cl, SiH, and SiH2. Because of the very high dilution, the measured properties are sensitive to a limited number of elementary reactions, allowing a relatively direct determination of the respective rate coefficients. Both thermal pyrolysis and laser flash photolysis methods were used to expand the investigated temperature range. An overview of the bimolecular Si-atom reactions is given.
    Additional Material: 16 Ill.
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  • 213
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2741-2750 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The partial oxidation of methane to synthesis gas (syngas, CO + H2) was performed in a mixed-conducting perovskite dense membrane reactor at 850°C, in which oxygen was separated from air and simultaneously fed into the methane stream. Steady-state oxygen permeation rates for La1-xA′xFe0.8 Co0.2O3-δ perovskite membranes in nonreacting air/helium experiments were in the order of A′x = Ba0.8 〉 Ba0.6 〉 Ca0.6 〉 Sr0.6. Deep oxidation products were obtained from a La0.2 Ba0.8 Fe0.8 Co0.2 O3-δ disk-shaped membrane reactor without catalyst, with a 4.6% CH4 inlet stream. These products were further reformed to syngas when a downstream catalytic bed was added. Packing the 5% Ni/Al2O3 catalyst directly on the membrane reaction-side surface resulted in a slow fivefold increase in O2 permeation, and a fourfold increase in CH4 conversion. XRD, EDS, and SEM analyses revealed structure and composition changes on the membrane surfaces. Oxygen continuously transported from the air side appeared to stabilize the membrane interior, and the reactor was operated for up to 850 h.
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  • 214
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2751-2759 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Dense intermetallic and ceramic (alumina based) coatings can be formed in situ during simultaneous combustion synthesis and densification in the field of centrifugal forces. Both microstructure and composition of alumina-based coatings formed during alumino-thermal reduction of oxides can be altered by an introduction of additives such as ZrSiO4, SiO2, Na2CrO4, and carbon. The activation energy and frequency factor for the Ni-Al reacting system consisting of equal atomic amounts of Ni and Al powders with an average particle size of 5 μm were measured using a nonisothermal technique, which were equal to 1.05 × 105 J/mol and 1.017 × 108 s-1, respectively. A mathematical model of in-situ densification of a single-phase combustion product (NiAl) in the field of centrifugal forces was developed and explored.
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  • 215
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2793-2801 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Hexagonally-packed mesoporous Nb-doped silica molecular sieves were hydrothermally synthesized with various siliceous sources and dopant concentration levels. The microstructure of mesoporous materials was characterized by a variety of physico-chemical methods. The pore packing order of the Nb-doped material depended strongly on the synthesis conditions such as aging temperature, pH of reaction mixture, surfactantto-Si ratio, and dopant concentration. Different silica precursors gave rise to different reactivity with the Nb dopants and interactions with the surfactants. The pore size and surface area of the materials can be systematically varied. The chemical environment of the Nb dopants in the silica framework was studied by XPS, EPR, PA-FTIR, UV-Vis, and 29Si MAS NMR. The results indicated that the Nb5+ ions were well dispersed in the framework of the mesoporous silica. The diffuse-reflectance UV-Vis spectrum of the mesoporous Nb-doped silica is red-shifted with respect to pure mesoporous silica. The 29Si MAS NMR spectrum contained a broad component at about -105 ppm, which may have been attributed to the presence of Nb-O-Si bonding in the mesostructure.
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  • 216
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2571-2578 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A new two-phase swirl-flow monolithic-type reactor was designed to study the kinetics of heterogeneous photocatalytic processes on immobilized semiconductor catalysts. True kinetic rate constants for destruction of a textile dye were measured as a function of wavelength of light intensity and angle of incidence, catalyst layer thickness, and the effect of absorption of light by liquid film on the overall rate of photocatalytic degradation. Photocatalytic activities of two commercially available TiO2 catalysts (Degussa P25 and Hombikat UV 100) were also compared for different light intensities and catalyst layer thickness. Residence time distribution and mass-transfer limitations were evaluated. This new reactor appears to be an attractive choice for kinetic studies of heterogeneous photocatalysis.
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  • 217
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 2601-2604 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
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  • 218
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 3274-3274 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 219
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 3264-3270 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 7 Ill.
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  • 220
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    AIChE Journal 43 (1997), S. 13-24 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In most industrial gas-phase polyethylene reactors, heat is removed by cooling the recycle gas stream in an external heat exchanger, where a portion of the vapor is condensed. The condensate evaporates in the reactor to absorb heat released by polymerization reactions, thereby increasing the production capacity of the unit. Nonequilibrium methods of multicomponent condensation are applied to develop a 1-D model to simulate the cooling unit of an industrial polyethylene reactor system operated in partial condensing mode. Finite difference approximations are used to convert the resulting set of differential equations to algebraic equations. A practical method of solving the equations is to combine the rapid local convergence of Newton's method with a globally convergent strategy. Correlation methods for estimating local heat-transfer coefficients in the liquid film layer are discussed. Butterworth's method for shear-stress-controlled condensate flow gives reasonable agreement between simulation results and industrial data, while Chen et al.'s method can better describe the transition process of condensate flow from laminar to turbulent flow.
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  • 221
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 877-892 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Two-dimensional time-dependent calculations for a molecular model of finite extensibility in the journal-bearing geometry are presented. The flow is considered to be incompressible and isothermal. The momentum conservation equation is integrated using a time-marching procedure in which local ensembles of dumbbells act as stress calculators. The calculations are based on the Calculation of non-Newtonian flows: finite elements and stochastic simulation technique (CONNFFESSIT) and combine deterministic (finite elements) and stochastic techniques to advance the velocity and stress fields in time. The ability of CONNFFESSIT to treat models for which no closed-form constitutive equation can be derived is illustrated by performing calculations using FENE dumbbells. Significant differences in the stress field between the true FENE and the linearized FENE-P are found, especially during the inception period. Steady-state kinematics are, however, identical within error bars for both FENE and FENE-P and for the Newtonian fluid. The essential algorithm of 2-D CONNFFESSIT is detailed, as well as experience gathered from its parallel and vector versions.
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  • 222
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 902-912 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Simple first-order closure models for covariances of concentration fluctuations, for use in modeling turbulent flow reactors, were tested by direct numerical simulations. Concentration covariances and other statistical functions were evaluated for a series parallel reaction scheme in decaying, homogeneous turbulent flow. The simulations involve solving the unsteady Navier-Stokes and mass conservation equations by a pseudo-spectral method in a 643 wavenumber domain, with initially segregated reactants, for an initial turbulence Reynolds number of 29.9. Simulation results show that covariances of concentration fluctuations normalized with respect to mean concentration values are almost constant and that the time dependence of concentration covariances can be estimated if the mean concentrations are known at any one time after the initial time. Predictions of the first-order closure models of Bourne and Toor, Brodkey and Lewalle, Li and Toor, and Dutta and Tarbell were compared to simulation results. While none of these closures are satisfactory for all the conditions tested, the Brodkey-Lewalle closure agrees best with the simulations.
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  • 223
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In this work, on-line calorimetry was used to estimate the conversion and the copolymer composition in emulsion polymerization systems. Real-time feedback control of the polymer composition during the semibatch emulsion copolymerization of vinyl acetate and butyl acrylate was carried out. Both homogeneous copolymers and copolymers with previous defined composition profiles were obtained. It was shown that the feedback control was able to avoid monomer accumulation in the reactor, and hence potentially dangerous thermal runaways, without any deleterious effect on the polymer composition, when a sudden inhibition was caused by deliberately adding a solution of hydroquinone. The use of feedback control for the maximization of the production rate under safe conditions in the unseeded emulsion copolymerization of vinyl acetate and VeoVa10 (an alkyl vinyl ester from Shell) is also presented.
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  • 224
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    AIChE Journal 43 (1997) 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 225
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    AIChE Journal 43 (1997), S. 1117-1121 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 6 Ill.
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  • 226
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    AIChE Journal 43 (1997), S. 1125-1140 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Expression of the time-averaged equations for the conservation of momentum and energy in terms of the fractions of the local shear stress and heat flux density, respectively, due to turbulence is shown to result in greatly simplified representations for fully developed flow and convection in round tubes and parallel-plate channels as compared to those in terms of the eddy viscosity, eddy conductivity, or mixing length. On the other hand, the turbulent Prandtl number is shown to be a fundamental characteristic of flow and convection rather than simply an artifact of the eddy diffusional model. The new simplified representations provide the basis for improved predictions of the velocity distribution, the friction factor, the temperature distribution, and the Nusselt number. The adaption of these new representations for other geometries and for developing convection is discussed briefly.
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  • 227
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    AIChE Journal 43 (1997), S. 1141-1152 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A dynamic model has been developed to predict the transient behavior of the temperature, the heat removal rate by the in-bed heat exchanger, and the flue-gas oxygen concentration for a circulating fluidized-bed (CFB) combustor. The model was incorporated into a control simulator to reproduce the combustion process within the overall program. The simulator predicts the behavior of the combustor under manual or automatic control to allow testing of control strategies. The model is validated by comparison with step-response tests carried out on a pilot CFB combustor. Discrepancies are attributable to unmodeled disturbances. Further validation, necessary to ensure the applicability of the simulator to control development, is provided by comparing control models identified experimentally using the pilot CFB to those obtained by simulation. Favorable comparison suggests that the dynamic model is suitable for use in control simulation.
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  • 228
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    AIChE Journal 43 (1997), S. 1163-1170 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The hydrodynamic characteristics of a new type of reactor, the immobilized soil bioreactor, were studied. This apparatus is a practical new engineering concept (soil immobilization) based on entrapment of soil particles, which contain pollutant-degrading microorganisms, in the pores of a geotextile to activate the indigenous microorganisms. The soil immobilization is the third on the size scale of immobilization processes, coming after (1) that of molecules in heterogeneous catalysis (in Angstrom) and (2) that of microbial cells and their fragments in immobilized cells and enzymes biocatalysis (in micron). The size of immobilized soil particles is in the range of a millimeter. A mathematical model of liquid flow within the reactor is proposed, which qualitatively explains the distribution of the immobilized soil in space. The dynamics of soil immobilization within the bioreactor has been studied as a function of the particle size, initial slurry concentraion and air flow rate. A mathematical model of the process of soil immobilization was proposed based on deep filter mechanics. The process can be described by a second-order kinetic model. This study will be of great importance for the design of immobilized soil bioreactors for degradation of recalcitrant soil pollutants.
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    AIChE Journal 43 (1997), S. 1250-1264 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A systematic method that quantitatively assesses property prediction uncertainty (imprecision) on optimal molecular design problems is introduced. Propety-structure relations are described with specific nonlinear functionalities based on group contribution methods. Property prediction uncertainty is explicitly quantified by using multivariate probability density distributions to model the likelihood of different realizations of the group contribution parameters. Assuming stability of these probability distributions, a novel approach is introduced for transforming the original nonlinear stochastic formulation into a deterministic MINLP problem with linear binary and convex continuour parts with separability. The resulting convex MINLP formulation is solved to global optimality for molecular design problems involving many uncertain group contribution parameters. Results indicate the computtional tractability of the method and the profound effect that property prediction uncertainty may have in optimal molecular design. Specifically, trade-off curves between performance objectives, probabilities of meeting the objectives, and chances of satisfying design specifications offer a concise and systematic way to guide optimal molecular design in the face of property prediction uncertainty.
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  • 230
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    AIChE Journal 43 (1997), S. 1287-1299 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The fugacity coefficients of the hydroperoxyl radical in supercritical water are estimated through molecular simulations. A potential function for the radical is first derived from ab initio self-consistent field molecular orbital calculations at the unrestricted Hartree-Fock level and from data in the literature. Molecular dynamics simulations of the hydroperoxyl radical are then performed in supercritical water and the fugacity coefficient of the radical is calculated by the free-energy perturbation method using the dynamic coupling parameter window-modification technique. The values of the fugacity coefficients at 773 K differ from unity. This methodology facilitates the incorporation of thermodynamic nonidealities in mechanism-based kinetic models for free-radical reactions in supercritical water.
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  • 231
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    AIChE Journal 43 (1997), S. 1813-1818 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The catalytic hydrogenation of alpha-methylstyrene to cumene is studied in a laboratory trickle-bed reactor operated at low liquid flow rates. Under this condition, wetting is not complete, vaporization of the liquid phase may occur, and reaction could proceed via liquid-solid and gas-solid catalysis, which increase the hydrogenation rate significantly. To determine and quantify the effect of the gas-solid catalyzed reaction, we propose the use of post-packing sections of increasing lengths. The inert bed acts as an absorber of the gas-phase-produced cumene. The liquid and gas effluent were monitored. Experimental global rates determined from liquid cumene concentrations varied with the post-packing length. A simple one-dimensional model developed shows that theoretical and experimental results agree well.
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  • 232
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    AIChE Journal 43 (1997), S. 1838-1848 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Opportunities exist to exploit the unique properties of carbon dioxide to process polymers for advanced applications. The diffusion of deuterated water in poly(methyl methacrylate) films swollen by carbon dioxide at 35°C over the pressure range 0 to 90 bar (corresponding density range: 0.0 to 0.66 g/cm3) was measured using in situ FTIR spectroscopy. The mechanism and time scale of the diffusion of deuterated water in PMMA are easily controlled by manipulation of the applied CO2 density. The enhancement of mass transport rate is consistent with the degree of plasticization of the polymer due to the absorption of carbon dioxide.
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  • 233
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    AIChE Journal 43 (1997), S. 1884-1893 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Clathrate phase equilibria for the ternary water-phenol-carbon dioxide system containing one-guest and two-host components were studied. Three four-phase equilibrium loci for this ternary system were determined over wide temperature and pressure ranges. A quintuple point, thermodynamically unique, and invariant condition appeared in this type of ternary system, was carefully measured, and were 293.7 K and 57.2 bar. At this quintuple point, five individual phases of water-rich liquid, phenol-rich liquid, carbon dioxide-rich liquid, phenol clathrate, and vapor could coexist in equilibrium. A new experimental technique was used to determine the liquid-phase compositions coexisting with phenol clathrates at the isobaric conditions of 30.0 bar and six temperatures ranging from 278.2 and 303.2 K. A potential applicability of the clathration process to phenol separation from aqueous solutions was demonsrated in terms of phenol concentrations based on carbon dioxide-free concentration. In particular, phenol separation by using high-pressure carbon dioxide as a clarthrate-inducing agent could be applied even to multiphase aqueous solutions over an entire range of phenol concentrations.
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    AIChE Journal 43 (1997), S. 1947-1954 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Recent experimental validation of theoretical and numerical predictions regarding scalar variance decay in a pipe have revealed that the traditional plug-flow reactor picture of pipe flow omits key physical mechanisms. In particular, the far-field decay exhibits a power law rather than exponential decay. These observations are examined by performing a set of experiments where the manner in which the scalar constituents are introduced into the pipe is varied. Significant differences are noted in the behavior of the variance decay until the very far field is reached, where an invariant power-law form emerges.
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    AIChE Journal 43 (1997), S. 1935-1946 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Explicit algebraic scalar-flux models that are valid for three-dimensional turbulent flows are derived from a hierarchy of second-order moment closures. The mathematical procedure is based on the Cayley-Hamilton theorem and is an extension of the scheme developed by Taulbee. Several closures for the pressure-scalar gradient correlations are considered and explicit algebraic relations are provided for the velocity-scalar correlations in both nonreacting and reacting flows. In the latter, the role of the Damköhler number is exhibited in isothermal turbulent flows with nonpremixed reactants. The relationship between these closures and traditional models based on the linear gradientdiffusion approximation is theoretically established. The results of model predictions are assessed by comparison with available laboratory data in turbulent jet flows.
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    AIChE Journal 43 (1997), S. 1988-1988 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 237
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    AIChE Journal 43 (1997), S. 1964-1974 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The use of optical fibers in a fluorescence-detection scheme permits the accurate determination of the radial distribution of the transit time, the column efficiency, and the analyte concentration at the exit of a chromatographic axial-compression column (50 mmID). The results obtained demonstrate that the column is not homogeneous, but suggest a nearly cylindrical distribution of the packing density. The average velocity close to the column wall is 7% lower than along its axis and the HETP 25% higher. The lack of homogeneity of the column packing is another source of band broadening not taken into account in chromatography so far. It causes the apparent HETP derived from the conventional elution chromatogram recorded on the bulk eluent to be larger than the local HETP and the band profile to be unsymmetrical with a slight tail reminiscent of kinetic tailing.
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    AIChE Journal 43 (1997), S. 1975-1988 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Hollow-fiber membrane processes with a constant external resistance having a constant or variable shell concentration resulting from an operational mode of cocurrent or countercurrent are studied. By solving numerically the continuity mass-conservation equation with the corresponding boundary conditions, the lumen laminar mass-transfer coefficients for both cases are correlated. The correlations greatly improve the calculating accuracy of the overall mass-transfer coefficient and can be used to obtain the lumen mixed-cup concentration by an algebraic equation substituting the partial differential equation. A separation factor m' is introduced to characterize the effect of the operational mode. Calculation results demonstrate that the lumen mass-transfer coefficient is independent of the real lumen and shell concentrations, but it is greatly influenced by m'. The countercurrent mode, compared to the cocurrent mode, provides not only a higher mean driving force, but a higher lumen mass-transfer coefficient. This conclusion is novel and valid for the tube-shell heat or mass-transfer processes and is supported by the experimental data in the literature and our gas membrane separation experiments.
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    AIChE Journal 43 (1997), S. 1989-2001 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Sheet and film processes pose a challenging identification and control problem due to high complexity, poor conditioning, and limited input-output data. The interaction between model accuracy and closed-loop performance is explored for sheet and film processes using a model decomposition in terms of two static orthogonal matrices in series with a diagonal transfer-function matrix. It is shown that the accuracy of the diagonal elements of the transfer-function matrix directly specifies the closed-loop performance achievable by a model-based controller. This motivates the development of a combined identification and control procedure in which the controller is designed to be robust to model inaccuracies quantified during identification. The resulting controller is compared to an industrially accepted controller design method for two examples, including a simulated blown-film process. Based on the theoretical results and simulations, it was concluded that the poor performance often reported for existing industrial sheet and film process-control systems is likely due to signs of the model gains being incorrectly identified.
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  • 240
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    AIChE Journal 43 (1997), S. 2021-2033 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The problem of simultaneous control of composition and molecular weight of copolymers produced in semicontinuous emulsion polymerization is addressed. A first-principles model of emulsion copolymerization is used to produce optimal open-loop policies, which are then experimentally tested on the system methyl methacrylate/vinyl acetate. In contrast to earlier work in the control of semicontinuous emulsion copolymerization, the control problem addressed has multiple inputs and multiple outputs, and the experimental application is free of empirical correlations and performed on an unseeded system. Optimal open-loop policies are calculated efficiently by optimizing properties of the instantaneous polymer being formed. The experimental results confirm the feasibility of these techniques. A model-predictive control scheme, in which optimal policies are recomputed on-line to account for disturbances, is proposed. The scheme, which exploits the advantages of the efficient calculation of optimal policies, is tested by simulation showing good performance.
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  • 241
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    AIChE Journal 43 (1997), S. 2073-2082 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A one-dimensional nonequilibrium model for multicomponent condensation is used to simulate a vertical single-pass shell-and-tube heat exchanger in an industrial gas-phase polyethylene reactor system. Starting the calculation at the top of the exchanger, the model can predict temperatures at the bottom of the exchanger within an accuracy of ±5 K as compared to three sets of industrial data. Sensitivities of model predictions were analyzed, including uncertainties associated with physical and transport property estimates, step size, and convergence criterion. Model predictions are not particularly sensitive to the estimation errors of physical and transport properties if K values are calculated using an equation of state applicable to both liquid and vapor phases. Effects of operating conditions on heat removal from polyethylene reactors were investigated for an existing process. It was quantitatively demonstrated why and how severely noncondensable gases impede condensation heat transfer. The level of noncondensable gases and the cooling water temperature are the two most important factors influencing the heat-removal rate. Replacing a portion of noncondensable gas, such as N2, with a condensable fluid that is inert to polymerization reactions can substantially increase the heat-removal rate from the reactor, thereby allowing for an increase in polymer production rate.
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    AIChE Journal 43 (1997), S. 2083-2095 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Ignitions, extinctions, and Hopf bifurcations in methane oxidation were studied as a function of pressure and inlet fuel composition. A continuous stirred-tank reactor was modeled with numerical bifurcation techniques, using the 177 reaction/31 species mechanism. Sensitivity and reaction pathway analyses were performed at turning points to identify the most important reactions and reactive species. Then, simulations were compared with experimental data. Multiple ignitions and extinctions as well as oscillations that are purely kinetically driven were found. Ignition to a partially ignited state with considerable reactivity of methane indicates possible narrow operation windows with high selectivities to partial oxidation products. At 0.1 atm, we found a selectivity of up to 80% to CO at 70% CH4 conversion. The ignition to a fully ignited branch is associated with high selectivity to CO2 and H2O. The C2 chemistry inhibits the ignition of methane to the partially ignited branch. The methane ignition temperature exhibits two branches with respect to pressure, with only the low-pressure branch being dominant. Reaction path analysis at ignition conditions shows that the preferred pathway of CH4 oxidation is to form CO and CO2 through CH2O and CH2(s) intermediates. However, at intermediate to high pressures, the recombination of CH3 to C2 H6 also becomes quite significant.
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    AIChE Journal 43 (1997), S. 2096-2111 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A generalized approach to the use of pulsed-gradient spin echo (PGSE) NMR methods for the measurement of flow and diffusion in porous media is presented, in which the fluid dynamics is probed over well-defined temporal and spatial domains. Various NMR techniques based on PGSE encoding are described in the context of standard theories of dispersion, with reference to Eulerian and Lagrangian coordinate frames. This array of methods provides access not only to the dispersion coefficient and the mean local velocity but also to propagators relevant to spatial and temporal correlations. Methods investigated include flow imaging, average propagator analysis, dispersion measurement, velocity exchange spectroscopy, and flow and disffraction based on scattering analysis. We apply these to a study of flow and dispersion of water in a packed bed of 90.7-μm-dia. polystyrene latex spheres. Our measurements of the dependence on Peclet number of dispersion (parallel and perpendicular to the mean flow direction) are in excellent agreement with results reported in the literature. The scattering approach used here has potential for studying complex flow properties involving the interplay between hydrodynamic and structural characteristics of porous media.
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    AIChE Journal 43 (1997), S. 2133-2136 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
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    AIChE Journal 43 (1997), S. 2137-2140 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 3 Ill.
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  • 246
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    AIChE Journal 43 (1997), S. 2112-2122 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The transport of moisture in shrinking food gels during drying is studied based on a novel thermomechanical theory accounting for a structural transition in the material - from the rubbery to the galssy state - during drying. The proposed theory is applied to the drying of a model cylindrical starch-gluten gel system. The predicted drying characteristics depend on the Deborah number, a ratio of the characteristic relaxation time to the characteristic diffusion time. At low Deborah numbers, drying is Fickian. At intermediate and high Deborah numbers, however, drying is non-Fickian, leading to an apparent mass-transfer shutdown, which is a result of surface dryout and skin/shell formation. Based on a time-dependent surface boundary condition, the model proposes that surface drying is not only a function of the Biot number but also a function of the “Shell” number, a ratio of the Deborah and Biot numbers. The model is verified by comparing its predictions with experimental data from drying of starch-gluten gels at 22.5 and 40°C. The model predictions agree with experimental data and capture the observed sigmoidal shape of the experimental drying curves in the saturated flow regime. The predicted moisture profiles show shell formation and growth during drying, compatible with the experimental moisture profiles from the literature.
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    AIChE Journal 43 (1997), S. 2261-2278 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A new approach for assessing nonlinear interaction effects and closed-loop nonlinearity in multivariable processes is presented. It is based on a differential geometric interpretation of the relative gain array that leads naturally to systematic procedures for describing interaction effects of higher order and for assessing closed-loop nonlinearity effects in nonlinear processes. Two types of nonlinear effects associated with the behavior of a process are introduced. Between-channel nonlinearity is associated with the nonlinear dependence of an output channel on other input - output pairings. Withinchannel nonlinearity is used to identify the nonlinear effects that result from the inherent nonlinearity of an individual output channel. A root-mean-squared measure of nonlinearity is introduced and is used to evaluate the significance of local nonlinear effects. Nonlinear interaction measures are derived that provide tools for assessing input - output pairings in a nonlinear process. This new approach extends the standard techniques and provides an estimate of the effect of nonlinearity on closed-loop interactions.
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    AIChE Journal 43 (1997), S. 2579-2595 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A comparison between experimental and theoretical results for the combined microwave and convective drying of softwood is presented. The microwave applicator used for the experiments was an oversized waveguide, and the results for both sapwood and heartwood were analyzed. To elucidate on the physics of the process at a fundamental level, a complete model is proposed, which considers the intricate link that transpires between the heat-and mass-transfer phenomena and the power distribution throughout the sample during drying. The resulting model, which uses a comprehensive 2-D set of equations to describe the drying process, together with a complete 3-D solution of the Maxwell equations within the waveguide in the time domain, can be used to investigate many aspects of dielectric drying. This research deals with the spatial variation of the power density within the material at various drying times and the effect of the anisotropy of the transfer properties on the shape and evolution of the power distribution. Most importantly, it focuses on the prediction of the location of hot spots and thermal runaway within the sample from the viewpoint of product quality. Strengths and weaknesses of the model are highlighted.
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    AIChE Journal 43 (1997), S. 3147-3160 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The modeling of pressure filtration of flocculated suspensions using compressional rheology and a knowledge of compressional yield stress Py(φ) and a hydraulic resistance factor r(φ)(φ is the local volume fraction of solids) is shown to yield an initial solids loading that maximizes the throughput of the filter. The optimal initial height h0 is such that the filtration time to reach a specified average volume fraction as output equals the handling time for the filter press. The maximum throughput of the press is then examined as a function of the remaining control parameters, the initial solids volume fraction φ0, and the applied piston pressure δP. The dependence of filtration time on φ0/∞00 (where φ∞is the volume fraction of solids at infinite time under applied pressure δP) enables the construction of a simple numerical model for the pressure filtration process, which accurately approximates predictions of the full compressional rheology model.
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    AIChE Journal 43 (1997), S. 104-117 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Computational fluid dynamics methods are used to provide three-dimensional simulations of a low-density polyethylene (LDPE) autoclave reactor under normal operating conditions. For the conditions used, the reactor is not very well mixed; thus, the common model approximation of a perfectly stirred reactor is not warranted. The simulations verify the sensitive nature of the polymerization reactors and indicate a need for optimizing operating parameters.
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    AIChE Journal 43 (1997), S. 127-134 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The steady-state simulation of a cocurrently cooled autothermal fixed-bed reactor was carried out using a 2-D heterogeneous mathematical model. The ammonia synthesis was chosen as a case study. Unlike the not-autothermal cocurrent reactor, which is unconditionally stable, the autothermal cocurrent reactor shows multiple steady states within a broad range of operating conditions. This finding, not reported in the literature, is explained through the mass transport from the bottom to the top of the reactor, associated with a feedback of energy. The feedback of heat, which is inherent to autothermal reactors, leads to an ignition-extinction phenomenon similar to that found in the countercurrent configuration. The influence of different parameters on the stability of the autothermal cocurrent reactor was analyzed. The regions where steady-state multiplicity occurs were compared with those presented by the autothermal countercurrent reactor. The influence of an additional heat exchanger on the reactor stability was considered.
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    AIChE Journal 43 (1997), S. 440-447 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The concept of robust design involves identification of design settings that make the product performance less sensitive to the effects of seasonal and environmental variations. This concept is discussed in this article in the context of batch distillation column design with feed stock variations, and internal and external uncertainties. Stochastic optimization methods provide a general approach to robust/parameter design as compared to conventional techniques. However, the computational burden of these approaches can be extreme and depends on the sample size used for characterizing the parametric variations and uncertainties. A novel sampling technique is presented that generates and inverts the Hammersley points (an optimal design for placing n points uniformly on a k-dimensional cube) to provide a representative sample for multivariate probability distributions. The example of robust batch-distillation column design illustrates that the new sampling technique offers significant computational savings and better accuracy.
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    AIChE Journal 43 (1997), S. 2-12 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Effects of elongation on the radiation heat transport down a spheroidal cavity, located in a conducting solid with a diffusely reflecting cavity-solid interface, are examined. An effective conductivity λe and a void radiation conductivity λr are obtained as a function of cavity eccentricity α; and surface emissivity ε. To facilitate the calculations and produce readily applicable equations, a rigorous variational principle is used. Exact solutions are generated in the neighborhood of the spherical cavity (α2 → 0) for any ε 〉 0, a long needle-shaped void (α2 → 1) for any ε 〉 0, and a perfect reflector (ε → 0) for arbitrary elongation (0 ≤α2 ≤ 1). Significant differences arising from the shape change are observed. The α2 → 0 edge demonstrates a linear increase in λr with ε. At the opposite edge α2 → 1 and positive ε, λr is a horizontal line independent of ε, much like the long cylinder, whose conductivity is a factor of 32/(9π) (= 1.13) larger. In the neighborhood of ε 0, λr is always zero for any 0 ≤ α2 ≤ 1. The emissivity slope for ε → 0 starts from unity at α2 = 0 and increases monotonically with elongation to a singularity 3π[16(1 - α2)]-1 as α2 → 1 for the long needle.
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 1-1 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 255
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    AIChE Journal 43 (1997), S. 64-72 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In many instances of practical interest, countercurrent adsorption separations operate on feed streams containing not only the components to be separated but also some desorbent. Criteria for the optimal and robust design and operation of these units are developed by extending previous treatments developed for desorbent-free feedstreams. The effect of the presence of some desorbent (weak, intermediate, or strong) on the location and robustness of the region of complete separation in the operating parameter space is discussed.
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  • 256
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    AIChE Journal 43 (1997), S. 91-103 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A method is presented to synthesize drowning-out crystallization-based separation schemes for binary mixtures. The method tracks how the composition of each process stream changes from unit to unit on a phase diagram by assuming that the system is at equilibrium. Features of phase behavior favorable to drowning-out processes are identified. Two types of systems are highlighted. In the first, the drowning-out agent causes the solute to become sparingly soluble. Several process alternatives to separate the feed into pure components are proposed. Dominant costs of each configuration are identified. In the second, the solute is extracted into a phase rich with respect to the drowning-out agent. The extraction can be performed in a decanter, countercurrent extractor, or fractional countercurrent extractor. Guidelines are given to select an extractor type and to choose between crystallizer-extractor and extractor-crystallizer equipment trains.
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  • 257
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    AIChE Journal 43 (1997), S. 135-144 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The kinetics of acrylic acid (AA) solution polymerizations were characterized under various polymerization conditions using differential scanning calorimetry. The AA polymerization rate Rp decreased with increasing pH over all pH values due to the decreased reactivity of ionized AA relative to the unionized monomer. The rate behavior above pH 6 was suggestive of diffusion-controlled termination kinetics. The degree of ionization thus impacted not only the reactivity of species in solution but also the diffusive characteristics of propagating macroradicals. As the AA concentration was increased, the change in polymerization rate with pH was substantially less. The temperature dependence of Rp indicated that the overall activation energy for polymerization varied with temperature, due to diffusion-controlled termination kinetics. The polymerization rate was significantly higher when a multifunctional cross-linking agent was added, because of the gel effect, even while maintaining a constant double bond concentration.
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  • 258
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    AIChE Journal 43 (1997), S. 173-179 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A dolomitic calcine was hydrated with liquid water and then recalcined as an effective sorbent toward SO2 removal. The hydrated/recalcined sorbent was tested for SO2 removal in a thermogravimetric analyzer under conditions applicable to an atmospheric fluidized-bed combustor: 1,123 K, 20 vol. % excess air, and 3,000 ppmv SO2. Specific pore surface areas and volumes of hydrated/recalcined dolomites, hydrated at 80°C for 1 h, increased by four and five times, respectively, compared to unhydrated dolomitic calcines. Due to these improved pore characteristics, the SO2 capture achieved by the hydrated/recalcined calcine, was 1.3-1.6 times higher than that of the unhydrated one after a 1-h exposure to SO2 concentrations of 0.11-0.31 vol. % at 1,073-1,173 K. In the hydrated/recalcined calcine CaO utilization was enhanced due to the absence of significant pore diffusional limitations, at least during the early reaction times, evidenced by the high apparent activation energy of 198 kJ/mol. On the contrary, the lower CaO utilization in the unhydrated calcine was presumably due to severe pore diffusional limitations, which dropped the apparent activation energy from 149 to 85 kJ/mol at 〉 1,123 K.
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  • 259
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    AIChE Journal 43 (1997), S. 196-211 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Plausible stoichiometries for solvation and association complexes in binary mixtures of chloroform and one of six organic diluents (n-hexane, p-dioxane, acetone, diethyl ether, tri-n-butyl phosphate, or triethylamine) are examined parametrically. A range of stoichiometric assumptions based on hydrogen bonding are examined, but only a few such combinations yield statistically significant fits to the experimental vapor-liquid equilibria and NMR chemical shift data. Hydrogen bonding considerations and the “true” chemical species are much more important than nonspecific physical factors such as molecular sizes, shape differences, and regular solution terms. Thermodynamic equilibrium constants are presented for the most significant chloroform solvation complexes. Nonspecific dilution shift is important and more helpful in fitting NMR data than the assumption of a chloroform dimer. Physical effects and an orientation factor are used to predict excess enthalpy in chloroform/n-hexane mixtures where no solvation or association reactions occur. Model parameters are used to predict excess molar volumes and enthalpies. Commonly reported stability constants are concentration dependent.
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  • 260
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    AIChE Journal 43 (1997), S. 218-231 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: When polymers are added to a solution containing proteins, the protein may deposit as an amorphous precipitate or as crystals. Experimental evidence indicates that from a thermodynamic viewpoint, an amorphous precipitate should be treated as a liquid phase dense in the protein and crystals as true solids. To understand the conditions under which protein precipitation or crystallization may occur, Gibbs-ensemble Monte Carlo simulation and Gibbs-Duhem integration techniques are used to calculate the liquid-liquid and liquid-solid phase boundaries for protein precipitation induced by polymers. In these simulations, the system is modeled using the pseudo-one-component approximation with an appropriate potential of mean force. The critical point for fluid-fluid phase equilibrium disappears as the attractive part of the mean-force potential becomes very short ranged. The accuracy of the second-order Barker and Henderson perturbation theory is examined by comparing the phase diagram predicted using this method with the simulation results. Perturbation theory is able to predict the general trends observed in the simulations but not with quantitative accuracy. Perturbation theory is then used to examine a broader range of conditions for protein deposition.
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  • 261
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    AIChE Journal 43 (1997), S. 260-262 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
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  • 262
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    AIChE Journal 43 (1997), S. 251-259 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The removal of oil films from the inner surface of a stainless steel tube cell using aqueous cleaning solutions was studied. The two oils used in the cleaning experiments, Sunquench 1042 and heavy mineral oil, contained P32 labeled tributyl phosphate (TBP) as a radioactive tracer. The β- particles emitted from the radioactive TBP were detected by a CaF2 scintillator and used as a measure of the amount of oil remaining in the tube cell. Cleaning experiments performed at different flow rates, surface treatment, and surfactant concentrations indicated that initially the oil films were removed rapidly. At the end of the experiments, the oil removal rate reduced significantly, eventually becoming negligible. The stainless steel morphology affected oil removal significantly, and the rougher tube tended to retard the oil removal. The rate and extent of the decontamination were significantly increased in the presence of sodium dodecyl sulfate, a nonionic surfactant. Experimental data were compared to a hydrodynamic model based on the removal of a liquid contaminant from a solid surface by an immiscible fluid. The model deviated from the experimental data due to the presence of instabilities at the oil-water interface.
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  • 263
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    AIChE Journal 43 (1997), S. 345-356 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Pressure fluctuations in gas-solid fluidized beds have long been recognized as an important index for the quality of fluidization. Due to their highly random nature, many researchers have resorted to stochastic signal-processing methods to extract useful information. However, methods such as power-spectral density are based on a priori hypothesis of the stationarity of the signals, whose validity has not been investigated. In this article, using the Wigner distribution (WD), the signal's strong nonstationary feature is demonstrated and signal properties are addressed. Local frequency information is extracted from the defined parameter - the local peak weighted average (LPWA), which can be regarded as a generalized concept of the major frequency of power-spectral density in the nonstationary case. Experimental results indicate that LPWA is stochastically much more reproducible than the major frequency of power-spectral density. The change in LPWA under different operating conditions may reflect the corresponding change in the bubble phase. This information is useful in characterizing the quality of fluidization.
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  • 264
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    AIChE Journal 43 (1997), S. 409-418 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Resolution in chromatographic separations can be compromised by nonuniform flow distribution, heterogeneous packing, or flow instabilities such as viscous fingering. In this work, the displacement of solutes within a chromatographic column was monitored with an advanced magnetic-resonance technique, echo-planar spectroscopic imaging (EPSI). Unlike conventional magnetic-resonance imaging, this approach allows multiple solutes to be observed simultaneously, providing separate “chemical images” for each component. Qualitative chemical images were obtained in approximately 1 min with approximately 1 mm3 spatial resolution. EPSI allowed us to examine the multi-component viscous fingering problem for the first time. While many features of the instability are preserved, solute retention appears to slow the growth of solvent fingers.
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  • 265
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    AIChE Journal 43 (1997), S. 425-439 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The optimal control structure has been introduced as a design tool to measure the control-law nonlinearity of a given process design. In this context, control-law nonlinearity is the optimal degree of nonlinear compensation in the controller, a system property distinct from open-loop nonlinearity and determined by a performance objective and the region of operation as well as the nature of the open-loop system. This approach is extended to the analysis of multivariable systems with output feedback through the application of an extended Kalman filter. Coherence estimation is used as a practical method to measure continuous, open-loop multivariable system nonlinearity. The CSTR with van de Vusse kinetics, a system that features output feedback and a controllaw nonlinearity that changes with operating points, is analyzed. The optimal control structure approach with coherence estimation correctly indicates changes in the controllaw linearity between different operating points and changes as the regions of operation change around a particular operating point.
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  • 266
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    AIChE Journal 43 (1997), S. 486-494 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Two-phase flow, heat transfer, and reaction in fluid catalytic-cracking riser-type reactors are studied using a 3-D mathematical model. This study was carried out based on the model of Theologos and Markatos, which incorporates a detailed ten-lump reaction kinetics scheme and accounts for gradual feedstock vaporization inside the reactor. Predictions obtained using the new model are compared against industrial reactor operating data. A design study was also carried out to illustrate that the model developed is capable of predicting feed-injector geometry effects on overall reactor performance. It shows that by increasing the number of feed-injection operating nozzles at the bottom of the reactor, selectivity of primary products is improved.
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  • 267
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    AIChE Journal 43 (1997), S. 475-485 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Strong intraparticle diffusion resistance was observed and the apparent effectiveness factors were measured for the hydrogenation of 3-hydroxypropanal (HPA) to 1,3-propanediol (PD) over Ni/SiO2/Al2O3 catalyst pellets at 45 to 80°C and 2.60 to 5.15 MPa in a stirred reactor with a spinning basket. A mathematical model was proposed to describe the intraparticle diffusion and to estimate the effective diffusion coefficients of HPA, PD and hydrogen under reaction conditions by a maximum likelihood function of the apparent effectiveness factors of HPA and PD. The calculated concentration distributions of HPA, PD and hydrogen in catalyst particles reveal an excess of hydrogen at 80°C and higher temperatures, but an excess of HPA at 45°C. It results in a weak dependence of the consumption formation rate of HPA and PD on the partial pressure of hydrogen at high temperature.
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  • 268
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    AIChE Journal 43 (1997), S. 289-302 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: We investigate the utility of digital particle imaging velocimetry (DPIV) for performing kinematic measurements in non-Newtonian flows. With the advances in numerical techniques for simulation of viscoelastic flows, acquisition of spatially dense 2-D kinematic data in steady and time-dependent deformations can be useful in verifying predictions of the corresponding computational studies. Furthermore, kinematic measurements of the velocity field and rate of deformation in prototypical industrial processes can significantly enhance the rational design and optimization of polymer processing unit operations. Application of a high seeding density DPIV technique in viscoelastic media is discussed, and quantitative data are obtained in a number of industrially relevant flow geometries. The issues of velocity-position assignment and the effects of a velocity gradient across DPIV correlation regions are discussed. A simple yet effective averaging technique preserves the order of accuracy and assigns the velocity vectors to their appropriate positions using an overlapping discretization scheme. The examples studied experimentally include steady flow in circular pipes, flow past obstructions, flow in a lid-driven cavity, and time-dependent free-surface extensional flows in a liquid filament. With the exception of the first example, these flow geometries constitute an important collection of configurations in which quantitative experimental data for non-Newtonian fluids are scarce or nonexistent.
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  • 269
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    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: To study the influence of particle concentration on the hydrodynamics of bubble-column slurry reactors operating in the heterogeneous flow regime, experiments were carried out in 0.10, 0.19, and 0.38-m-dia. columns using paraffinic oil as the liquid phase and slurry concentrations of up to 36 vol. %. To interpret experimental results a generalization of the “two-phase” model for gas-solid fluid beds was used to describe bubble hydrodynamics. The two phase identified are: a dilute phase consisting of fast-rising large bubbles that traverse the column virtually in plug flow and a dense phase that is identified with the liquid phase along with solid particles and entrained small bubbles. The dense phase suffers backmixing considerably. Dynamic gas disengagement was experimented in the heterogeneous flow regime to determine the gas voidage in dilute and dense phases. Experimental data show that increasing the solid concentration decreases the total gas holdup significantly, but the influence on the dilute-phase gas holdup is small. The dense-phase gas voidage significantly decreases gas holdup due to enhanced coalescene of small bubbles resulting from introduction of particles. The dense-phase gas voidage is practically independent of the column diameter. The dilute-phase gas holdup, on the other hand, decreases with increasing column diameter, and this dependence could be described adequately with a slight modification of the correlation of Krishna and Ellenberger developed for gas-liquid systems.
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  • 270
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    AIChE Journal 43 (1997), S. 328-338 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Past research shows that for the same power per unit volume, flocculation performance varies with tank size and impeller type. This study was performed to characterize effects of scale and impeller design on turbulence produced in the flocculation process. The study was performed with a Rushton turbine and an A310 foil impeller in three square tanks of 5-, 28- and 560-L volume. Fluid velocities were measured using a dual-channel laser Doppler velocimeter with an enhanced burst spectrum analyzer. Flocculation tanks were operated at a constant average unit-mass energy-dissipation rate of 0.0016 m2/s3. The results show that the turbulence intensity and local turbulent energy-dissipation rate were higher for the Rushton turbine than for the A310 impeller. The turbulence intensity was found to increase with increasing tank size regardless of impeller type. The local turbulent energy dissipation rate decreased for the Rushton turbine and remained constant for the A310 impeller with increasing tank size.
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  • 271
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    AIChE Journal 43 (1997), S. 357-362 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: When a fluidizing gas is switched from a low-density gas to a high-density gas, particles in the emulsion phase agglomerate and bubbles disappear. At the same time, channeling occurs and a decrease in the pressure drop over the bed is observed. The disturbance of fluidization is temporary, and normal fluidization is restored after several minutes. The study of mechanisms of the transient phenomena shows that the difference in diffusion rates of the two gases in the emulsion phase caused the agglomeration of particles. Because the mobility of particles was reduced, channels were formed and the fluidizing gas bypassed through them. Effects of the properties of the fluidizing gases and particles on the intensity of the transient phenomena were also studied. The intensity increased with increasing difference in the densities of the two gases. The transient phenomena were considerable for small- and light-particle systems.
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  • 272
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    AIChE Journal 43 (1997), S. 398-408 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Vacuum membrane distillation is a membrane-based separation process considered here to remove volatile organic compounds from aqueous streams. Microporous hydrophobic membranes are used to separate the aqueous stream from a gas phase kept under vacuum. The evaporation of the liquid stream takes place on one side of the membrane, and mass transfer occurs through the vapor phase inside the membrane. The role of operative conditions on the process performance is widely investigated in the case of dilute binary aqueous mixtures containing acetone, ethanol, isopropanol, ethylacetate, methylacetate, or methylterbutyl ether. Temperature, composition, flow rate of the liquid feed, and pressure downstream the membrane are the main operative variables. Among these, the vacuum-side pressure is the major design factor since it greatly affects the separation efficiency. A mathematical model description of the process is developed, and the results are compared with the experiments. The model is finally used to predict the best operative conditions in which the process can work for the case of benzene removal from waste waters.
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  • 273
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    AIChE Journal 43 (1997), S. 374-387 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The attainable region approach for reaction - mixing systems is combined with geometric methods for the feasibility of separations. The result is a systematic approach to identify the feasible compositions that can be achieved in processes combining simultaneous reaction, mixing, and separation. An activity-based formulation for both nonideal VLE and reaction-rate expressions is applied to develop hybrid reactor-separator models for the multiphase CSTR and PFR with simultaneous vapor removal. A reaction-separation vector is defined that satisfies the same geometric properties as the reaction vector. Therefore, the attainable region can be constructed following the existing procedure for reaction-mixing systems. This approach provides a method to generate feasible process alternatives. The technique is demonstrated on two nonideal ternary mixtures: the production of dimethyl ether by dehydration of methanol, and the production of methyl tert-butyl ether from isobutene and methanol. It is shown that for hybrid reaction-separation devices the entire composition space is not always attainable. In such cases, combining a hybrid device with traditional nonreactive separation is required to attain certain products.
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  • 274
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    AIChE Journal 43 (1997), S. 1194-1203 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Equilibrium partitioning of spherical solutes between slit pores and bulk solution is investigated by the Gibbs ensemble Monte Carlo method. Two types of perturbatins are performed in this simulation: a random displacement of solutes that ensures equilibrium within both bulk and pore regions, and random interchanges of solutes that equalize the interaction potentials between the two regions. To study the effects of electrostatic interactions, interaction energies between the solutes and pore walls and between pairs of solutes are evaluated by using a singularity method. Partition coefficients calculated for neutral solutes, which experience purely steric interactions, increase with increasing solute concentration and agree well with existing theoretical results. For pores and solutes of like charge, results for the limit of infinitely dilute solute concentration show a sharp decline in partition coefficient with decreasing ionic strength of solution. As the solute concentration increases, the interplay of solute-wall and solute-solute interactions becomes increasingly important, and the partition coefficient increases accordingly. The density profiles indicate unambiguously that, whether solutes and proes are uncharged or of like charge, solute-solute interaction promotes enhanced concentrations near the wall, causing the partition coefficient to increase. Even at solute concentrations as low as 5%, effects of solute-solute interactions caused by electrostatic charge can more than compensate for sphere-wall repulsive interactions, indicating that concentration effects should be considered at least as important as electrostatic effects in partitioning phenomena.
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  • 275
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    AIChE Journal 43 (1997), S. 555-564 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A study of the extraction characteristics of nitric acid with octyl(phenyl)-N,N-diisobutylcarbamoylmethyl phosphine oxide [OφD(iB)CMPO or, simply, CMPO] was conducted. In the experimental program, CMPO was dissolved in n-dodecane to produce the organic extracting medium. The objectives of the project were to infer extraction stoichiometry and to estimate equilibrium constants for the extraction of nitric acid with the CMPO extractant.Experiments were performed over a limited range of concentrations to avoid conditions favoring formation of a third phase. Aqueous nitric acid concentrations were limited to 0.30 M at 25°C, 1.0 M at 40°C, and 3.0 M at 50°C. The data indicate that CMPO extracts nitric acid with a 1:1 stoichiometry. The value of the equilibrium constant is estimated at 2.66 ± 0.09 at 25°C. The enthalpy of the extraction is estimated to be - 5.46 ± 0.46 kcal/mol.
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  • 276
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    AIChE Journal 43 (1997), S. 1325-1330 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The effectiveness of applying silent discharge plasmas (SDP) for destroying and removing volatile organic compounds (VOCs) from gas streams is experimentally evaluated with a laboratory-scale reactor. The VOCs selected for study include toluene and methyl ethyl ketone (MEK). Direct collision with energetic electrons and reaction with generated gas-phase radicals are two major mechanisms responsible for destruction and removal of VOCs from gas streams. Operating parameters investigated include applied voltage, gas residence time, and temperature and composition of the gas stream. Experimental results indicate that the removal efficiency of toluene and MEK achieved with SDP can be enhanced by operating the system at a higher gas temperature and applied voltage due to the generation of more energetic electrons and radicals. O2 is essential for removing VOCs from gas streams with SDP. More than 80% removal efficiencies were achieved with this system for both toluene and MEK. SDP can potentially serve as an alternative control technology for removing VOCs from gas streams.
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  • 277
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    AIChE Journal 43 (1997), S. 1348-1356 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Commercially available biofiltration systems have used natural bioactive materials in packed beds due to low media cost and easy availability. Detailed understanding and modeling of biofiltration systems are lacking in existing literature. Experimental studies on the isopentane treatment in air using peat- and compost-packed beds were conducted with inlet isopentane concentrations of 360 to 960 ppmv, and empty-bed gas-phase residence times of 2 to 10 min. High removal efficiences (〉 90%) were achieved at low contaminant concentrations ( 〈 500 ppmv) and large empty-bed gas-phase residence times ( 〉 8 min). For both peat and compost biofilters, there was an “optimal” water content that gave the highest removal efficiency. For higher water content, mass transfer of isopentane through the liquid phase controlled the biofiltration removal efficiency. At low water content, irreversible changes in the bioactivity of peat and compost occurred, resulting in an irrecoverable loss of removal efficiency. Increases in biofilter bed temperature from 25 to 40°C improved the removal efficiency. A mathematical model incorporating the effect of water content and temperature was developed to describe the packed-bed biofilter performance. Model predictions agreed closely with experimental data.
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    AIChE Journal 43 (1997), S. 1362-1365 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 279
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    AIChE Journal 43 (1997), S. 1366-1368 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
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  • 280
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    AIChE Journal 43 (1997), S. 1369-1371 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 1 Ill.
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  • 281
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    AIChE Journal 43 (1997) 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 282
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    AIChE Journal 43 (1997), S. 1372-1374 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 283
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    AIChE Journal 43 (1997), S. 1469-1479 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Fast circulating fluidized-bed reactors are used for many applications, both in riser and downer modes. Typical resisdence times are in the order of a few hundreds of milliseconds. A good understanding of initial gas-solids contact must be reached to realize the full potential of such reactors. Effective and stable gas-solids mixing chambers were identified from the singals of simple and robust probes, which could be used in industrial and pilot plants. Criteria based on cross correlation or Hurst analysis provided consistent results. Although this study used simplified momentum probes, the criteria it developed can be applied to the signal of any fast-response sensor which is affected by local hydrodynamics. Temperature, capacitance, ultrasonic, or γ-ray absorption measurements could be used. Gas or liquid-liquid mixing chambers could also be optimized with the same criteria.
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  • 284
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    AIChE Journal 43 (1997), S. 625-630 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Transient phenomena in solid-liquid fluidized-bed systems are important in designing pulsed, countercurrent (multistage) fluidized-bed contactors of the Cloete-Streat type at high-solids flow rate. Of particular interest are the residence times or corresponding velocities of porosity gradients in the bed and the excess or overshoot height of the bed after refluidization. Theory assuming local equilibrium between holdup and velocity of the phases (local-equilibrium model) for stepwise perturbations in the liquid flow is readily available. It is investigated whether the local-equilibrium theory can be used for more complex perturbations and whether inertia effects, such as are encountered in countercurrent multistage fluidized-bed systems, can be ignored. Therefore, the detailed particle-bed model of Foscolo and Gibilaro, which incorporates inertia effects, was applied to investigate the transient behavior of fluidized-bed systems. Transient fluidization experiments were performed with a broad range of water-fluidized particles in a laboratory-scale multistage fluidized-bed contactor. The operating conditions corresponded to those for countercurrent contact.Numerical simulations with the particle-bed model predict satisfactory experimental results. The “overshoot” heights of the fluidized bed were estimated correctly by the particle-bed model, whereas the local-equilibrium model only provides a conservative estimate. However, the local-equilibrium model allows an analytical solution that is more interesting for design, as it avoids tedious calculations. The residence time of the last perturbation before the fluidized bed relaxes to steady state was estimated with similar accuracy by both models.
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  • 285
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    AIChE Journal 43 (1997), S. 645-654 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A spontaneous, steady capillary flow is produced for a liquid index in a circular tube that is partially coated with a surface modifier to create a discontinuous wetting condition between upstream and downstream portions of the tube. As a means of demonstrating that the flow configuration may prove useful as a diagnostic tool in studies concerning capillarity and the physics associated with the moving contact line, average steady velocities are predicted and compared against a large experimental data set that includes the effects of tube dimensions and fluid properties. To access a wider range of tube diameters (0.516-9.88 mm), experiments are performed employing “U-tubes” tested in the low-gravity environment of a drop tower, in addition to straight capillary tubes tested horizontally in a laboratory. The sensitivity of the steady capillary flow to surface cleanliness is dramatic.
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  • 286
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    AIChE Journal 43 (1997), S. 673-680 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Permeability and compressibility data are required for an adequate process model for compressible-cake filtration and mechanical expression. Experimental and modeling results of the permeability of palm-oil filter cakes (a highly compressible viscoelastic material) are combined with compressibility data, leading to a model for the expression step. Permeability measurements show that permeability depends strongly on the quantity of fine particles in the cake. Removal of fine particles from the slurry before expression significantly increases the solid-phase content during expression due to higher permeability. Modeling results of the expression step show that for palm-oil filter cakes there is a pressure above which the attainable mass fraction of solids becomes independent of pressure. Decrease in specific cake resistance has two effects: a higher mass fraction of solids at the same pressure and a higher pressure at which the mass fraction of solids is not affected further.
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  • 287
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    AIChE Journal 43 (1997), S. 740-753 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Modeling and optimization of a semiregenerative catalytic naphtha reformer has been carried out considering most of its key constituent units. A detailed kinetic scheme involving 35 pseudocomponents connected by a network of 36 reactions in the C5-C10 range was modeled using Hougen-Watson Langmuir-Hinshelwood-type reaction-rate expressions. Deactivation of the catalyst was modeled by including the corresponding equations for coking kinetics. The overall kinetic model was parameterized by bench-marking against industrial plant data using a feed-characterization procedure developed to infer the composition of the chemical species in the feed and reformate from their measured ASTM distillation data. For the initial optimization studies, a constant reactor inlet temperature configuration that would lead to optimum operation over the entire catalyst life cycle was identified. The analysis was extended to study the time-optimal control profiles of decision variables over the run length. In addition, the constant octane case was also studied. The improvement in the objective function achieved in each case was determined. Finally, the sensitivity of the optimal results to uncertainty in reactor-model parameters was evaluated.
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  • 288
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    AIChE Journal 43 (1997), S. 754-760 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Temperature profiles in the continuous-flow reactor with a fixed bed placed in a nonuniform microwave field are predicted by considering specific on - off regulation of the microwave power and local distribution of the electric-field intensity. The spatial and temperature dependence of the electric-field intensity affects the heating appreciably, as shown by indirect measurements. Results of numerical calculations agree with experimental data of outlet temperature and explain temperature oscillations in the outlet flow. The model developed allows an accurate description of microwave heating in the continuous-flow reactor associated with specific regulation of microwave power. The hydrolysis of sucrose catalyzed by the strongly acidic cation-exchange resin Amberlite 200C in R-H form was chosen as the reaction system. Calculated conversions of sucrose based on predicted temperature profiles agree with experimental data.
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  • 289
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    AIChE Journal 43 (1997), S. 777-784 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The oxidative dehydrogenation of butane was studied at temperatures between 450 and 550°C using a conventional fixed-bed reactor and inert membrane catalytic reactors with different feed arrangements. When inert membrane reactors were employed, a ceramic membrane was used to distribute oxygen to a fixed bed of V-Mg-O catalyst. The membrane reactor was found to be more efficient than a fixed-bed reactor under most of the conditions investigated. In addition, in the membrane reactor the formation of hot spots decreased considerably, leading to a more stable and safer operation.
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  • 290
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    AIChE Journal 43 (1997), S. 761-776 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Experimental breakthrough results of methane, ethane and propane in activated carbon and silica gel obtained over a wide range of gas compositions, bed pressures, interstitial velocities, and column temperatures were analyzed using a dynamic, nonisothermal, nontrace column breakthrough model. A linear driving force (LDF) approximation is used for particle uptake, and the Langmuir-Freundlich isotherm represents adsorption equilibrium. The LDF mass-transfer-rate coefficient (and, hence, effective particle diffusivity) and column-wall heat-transfer coefficient were determined. The results show that hydrocarbon transport in the activated carbon particles used is essentially by Knudsen and surface flow, while for the silica gel used the transport is primarily by Knudsen flow. For activated carbon, the experimentally derived LDF coefficients for all three sorbates are well correlated using an average effective diffusivity value. With regard to heat transfer, the column-wall Nusselt number is approximately constant for the range of Reynolds numbers considered. Simulations of multicomponent breakthrough in the activated-carbon bed based on independently measured single-component kinetic parameters and the extended Langmuir-Freundlich isotherm agree very well with experimental results. The computational efficiency gained by adopting the simpler extended Langmuir isotherm model is also investigated.
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  • 291
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    AIChE Journal 43 (1997), S. 785-791 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A novel approach for stabilizing the intermediate steady state of a continuous stirred-tank reactor (CSTR) is proposed by using a special type of periodic forced operation, the so-called mediating operation. The mediating operation enables new additional steady states for which one of the new intermediate steady states is stable to be produced. Thus the proposed approach employs a periodic forcing for stabilization of a selected steady state by control of a steady-state multiplicity. The feed flow rate is considered to be a manipulated variable. Changing CSTR multiplicity is investigated for two-step control inputs. It is shown, analytically, that under two-step control CSTR can exhibit at most five steady states with a stable intermediate steady state. A constructive procedure is proposed for finding control parameters corresponding to maximal multiplicity, that is, for stabilizing an intermediate steady state by two-step control.
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    AIChE Journal 43 (1997), S. 802-810 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Polymer degradation occurs when macromolecular chains are broken under the influence of thermal, mechanical or chemical energy. Chain-end depolymerization and random- and midpoint-chain scission are mechanisms that have been observed in liquid-phase polymer degradation. Here we develop mathematical models, unified by continuous-mixture kinetics, to show how these different mechanisms affect polymer degradation in solution. Rate expressions for the fragmentation of molecular-weight distributions (MWDs) govern the evolution of MWDs. The governing integrodifferential equations can be solved analytically for realistic conditions. Moment analysis for first-order continuous kinetics shows the temporal behavior of MWDs. Chain-end depolymerization yields monomer product and polymer molecular-weight moments that vary linearly with time. In contrast, random- and midpoint-chain scission models display exponential time behavior. The mathematical results reasonably describe experimental observations for polymer degradation. This approach, based on the time evolution of continuous distributions of chain length or molecular weight, provides a framework for interpreting several types of macromolecular degradation processes, particularly how bimodal MWDs can evolve during degradation.
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  • 293
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    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: One of the remaining challenges in application of heterogeneous photocatalysis for treatment of air streams containing dilute VOCs is to design a cost-effective photocatalytic reactor that simultaneously allows efficient contact of the contaminated air and solid catalyst while uniformly irradiating the solid catalyst with light. A pseudohomogeneous model was developed to study effects of system parameters on process performance for a gas-solid lamp-in-tube annular-photocatalytic-oxidation (PCO) reactor in which the annular space is filled with photocatalyst-coated packing. In this model the flow field is assumed to be uniform and radial diffusion negligible. Homogeneous reactions are neglected. Heterogeneous reaction rates follow Langmuir-Hinshelwood-Houghen-Watson kinetics with rate parameters extracted from independent experiments. A 1:D “two-flux” incidence submodel is used to account for the radial UV light distribution throughout the reactor annular space. This submodel requires knowledge of the UV lamp radiant emittance, the optical characterstics of the catalytic thin-film coating, and the UV irradiance at the outer wall of the reactor and contains only a single adjustable parameter - the mean free path between photon-catalyst interactions. The model was validated with experimental performance measurements for destruction of acetone and isopropyl alcohol in a bench-scale photoreactor. The validated model can be used to predict the optimum catalyst film thickness for given reactor dimensions, packing shape and size, and VOC abatement problem.
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  • 294
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    AIChE Journal 43 (1997), S. 835-836 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 3 Ill.
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  • 295
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    AIChE Journal 43 (1997), S. 837-843 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 9 Ill.
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  • 296
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    AIChE Journal 43 (1997), S. 1785-1796 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A novel autoassociative neural-network-based estimator for nonlinear steady-state data reconciliation was developed, which is a modified autoassociative feedforward neural network. The main difference between them lies in the minimization of an objective function that includes material imbalance terms of flow rates and compositions as well as the traditional least-square prediction term. Accordingly, this neural network, with the material balance-related equations included in the objective criterion, can perform simultaneously the following basic functions necessary for proper steady-state data rectification: (1) eliminate the nonrandom errors, such as the biases and gross erros, from measurements; (2) filter out the random errors from measured data; and (3) estimate the values of unmeasured process variables, provided data redundancy prevails. This novel neural-network-based reconciliation method is demonstrated on a flotation system.
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  • 297
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    AIChE Journal 43 (1997), S. 2559-2570 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The unsteady-state kinetics of NH3 adsorption-desorption and of selective catalytic reduction (SCR) of NO with NH3 were studied over model V2O5/TiO2 and V2O5-WO3/TiO2 catalysts by transient response techniques. Over both catalysts the dynamic experiments could be successfully described by a kinetic model assuming (1) negligible NO adsorption on the catalyst surface; (2) nonactivated NH3 adsorption; (3) a Temkin-type NH3 coverage dependence of the desorption energy; (4) a nonlinear dependence of the SCR reaction rate on the NH3 surface coverage. Thus, the results are supportive of an Eley-Rideal mechanism for the SCR reaction and of a significant heterogeneity for adsorption-desorption process and surface reaction of the catalyst surface. The binary and ternary catalysts exhibit similar acid properties, but different activity in the SCR reaction, possibly related to the superior redox properties of the WO3-containing sample. Over both samples the estimates of the activity energies for NH3 desorption at zero coverage and for the surface reaction of NO with NH3 are similar and in the 23-26 and 14-16 kcal/mol ranges, respectively.
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  • 298
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    AIChE Journal 43 (1997) 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 299
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    AIChE Journal 43 (1997), S. 2921-2931 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The local structural function obtained by a microresistivity probe at different hydrodynamic regimes is examined. The structures, such as the vortex-clinging structure, the appearance of one and two large cavities, small 3-3 structure, large 3-3 structure, and ragged cavities were recognized by frequency transformation of the time-domain structural function. An optimized phase discrimination in signal processing was used. The distribution of the local void fraction (α) in a pilot-size stirred tank was experimentally investigated, because almost no such data can be found in the literature. The two-phase mixture was composed of air and water; α was measured at 190 nodes in the vertical half-section plane of the vessel. Relative differences smaller than 9% between integrated values of α and measured gas holdups agreed reasonably well under all conditions.
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    AIChE Journal 43 (1997), S. 2960-2969 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The algebraic solution for linear, ideal simulated moving-bed (SMB) chromatography derived previously revealed important new properties of the SMB process. This solution was validated by comparing with experimental data and with the results of numerical solutions of the equilibrium-dispersive and the lumped kinetic model. This earlier solution, however, was limited to the simple case in which the safety factor was assumed to be the same for the flow rates in all four sections. An extension of this solution to the case in which the safety factors differ and allow an independent selection of the four different flow rates (within limits) is derived. This solution accounts well for most practical situations. It permits the discussion of the influence of different flow rates on the performance of an SMB unit, an issue of critical importance for the optimization of the design and operation of these separators.
    Additional Material: 7 Ill.
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