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  • 1. Alander, Eva M.
    et al.
    Rasmuson, Åke C.
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Transport Phenomena.
    Agglomeration and adhesion free energy of paracetamol crystals in organic solvents2007In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 53, no 10, p. 2590-2605Article in journal (Refereed)
    Abstract [en]

    The agglomeration of paracetamol during crystallization in different pure solvents has been investigated. Narrowly sieved crystals were suspended as seeds and allowed to grow and agglomerate at constant supersaturation and temperature. Particles from each experiment were examined by image analysis and multivariate data evaluation, for the number of crystals per particle. From the resulting number distribution, parameters defining the degree of agglomeration were extracted. The degree of agglomeration among the product particles is fairly low in water, methanol, and ethanol, while it is substantial in acetone particularly, but also in acetonitrile and methyl ethyl ketone. Surfaces of large, well-grown paracetamol crystals have been characterized by contact angle measurements. The surface free energy components of different crystal faces have been estimated using Lifshitz-van der Waals acid-base theory. The data are used for estimation of the solid-liquid interfacial free energy of each face in the solvents of the agglomeration experiments and the corresponding crystal-crystal adhesion free energy of pairs of faces. The degree of agglomeration in different solvents does correlate to the free energies of adhesion. This supports the hypothesis that the influence of the solvent on the crystal agglomeration relates to physico-chemical adhesion forces between crystal faces in the solution.

  • 2.
    Andrae, Johan
    et al.
    KTH, Superseded Departments, Chemical Engineering and Technology.
    Björnbom, Pehr
    KTH, Superseded Departments, Chemical Engineering and Technology.
    Wall Effects of Laminar Hydrogen Flames over Platinum and Inert Surfaces2000In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 46, no 7, p. 1454-1460Article in journal (Refereed)
    Abstract [en]

    Different aspects of wall effects in the combustion of lean, laminar and stationary hydrogen flames in an axisymmetric boundary-layer flow were studied using numerical simulations with the program CRESLAF. The importance of the chemical wall effects compared to thermal wall effects caused by heat transfer to a cold wall was investigated in the reaction zone by using different combustion systems at atmospheric pressure. Surface mechanisms include a catalytic surface, an inert surface that promotes radical recombinations, and a completely inert wall used as reference was the simplest possible boundary condition. The analysis of the results show that for the richer combustion case ( = 0.5) the surface chemistry gives significant wall effects, while the thermal and velocity boundary layer gives rather small effects. But for the leaner combustion case ( = 0.1) the thermal and velocity boundary layer gives more significant wall effects, while surface chemistry gives less significant wall effects compared to the other case. As expected, the overall wall effects were more pronounced for the leaner combustion case.

  • 3.
    Andrae, Johan
    et al.
    KTH, Superseded Departments, Chemical Engineering and Technology.
    Björnbom, Pehr
    KTH, Superseded Departments, Chemical Engineering and Technology.
    Glarborg, P
    A Design Concept to Reduce Fuel NOx in Catalytic Combustion of Gasified Biomass2003In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 49, no 8, p. 2149-2157Article in journal (Refereed)
    Abstract [en]

    A reactor concept was studied to reduce the fuel NOx at conditions relevant to catalytic combustion of gasified biomass containing ammonia. A hybrid reactor is modeled with passive and active channels, where only part of the fuel is combusted catalytically in the active channels. The completion of the reactions is carried out in the subsequent homogeneous zone. The air-fuel ratio is found to be the most important parameter for the NOx emission level. When the primary zone is operated fuel-lean, no favorable conditions are established for selective noncatalytic reduction reactions in the homogeneous zone, and the fuel nitrogen is largely oxidized to NO. However, if the air supply to the monolith is staged rich-lean, a 95% reduction in NO is possible. The NO reduction is facilitated by the remaining fuel components, CO and H-2.

  • 4.
    Bäbler, Matthäus
    ETH, Inst Chem & Bioengn, Dept Chem & Appl Biosci.
    A collision efficiency model for flow-induced coagulation of fractal aggregates2008In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 54, no 7, p. 1748-1760Article in journal (Refereed)
    Abstract [en]

    A model for flow-induced collisions of fractal aggregates is developed. The model is based on the analysis of the relative trajectories between a pair of aggregates that takes into account their hydrodynamic and their colloidal interactions. Regarding the former, the aggregates are modeled as permeable spheres where the Brinkman equation is used to describe the flow inside the aggregates. Interparticle forces are incorporated by considering the forces between the primary particles in the two aggregates that are the nearest. The model results in a collision efficiency that depends on the masses of the colliding aggregates, the fractal dimension, and a nondimensional Hamaker constant characterizing the interparticle forces. The collision efficiency model is used to investigate the dynamics of a suspension undergoing coagulation. Significant deviations with respect to existing collision efficiency models are evidenced. 

  • 5. Danielsson, Carl-Ola
    et al.
    Dahlkild, Anders
    KTH, School of Engineering Sciences (SCI), Mechanics.
    Velin, Anna
    Behm, Mårten
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology.
    Modeling Continuous Electropermutation with Effects of Water Dissociation Included2010In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 56, no 9, p. 2455-2467Article in journal (Refereed)
    Abstract [en]

    The repeating unit consisting of a cell pair of one concentrate and one feed compartment of an electropermutation stack is modeled. Both the feed and the concentrate compartments are filled with an ion-exchange textile material. Enhanced water dissociation taking place at the surface of the membrane is included in the model as a hetrogeneous surface reaction. Results from simulations of nitrate removal for drinking water production are presented and comparisons with previous experimental results are made. The influence of both conductive and inert textile spacers on the process is investigated via simulations

  • 6. Dutta, Joydeep
    et al.
    Hofmann, H.
    Houriet, R.
    Valmalette, J. -C
    Hofmeister, H.
    Crystallization of nanosized silicon powder prepared by plasma-induced clustering reactions1997In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 43, no 11 A, p. 2610-2615Article in journal (Refereed)
    Abstract [en]

    Nanosized silicon powders were prepared by gas-phase cluster agglomeration reactions in a low-pressure silane plasma. The formation and agglomeration of clusters leading to the growth of primary particles of powder were studied by in-situ techniques including mass spectroscopy and laser light-scattering experiments. These powders, generally amorphous and crystallized in a reducing atmosphere, were studied in detail by Raman spectroscopy and high-resolution electron microscopy, which revealed a very rough surface of as-prepared single powder particles with structures of 1 to 2 nm. Upon 1-h annealing at temperatures between 300 and 600 °C, circular contrast features, 1.5 to 2.5 nm in size, are observed in the amorphous particles, which show medium-range order. A distinct onset of crystallization is observed at 700 °C with structures ranging from very small crystalline ordered regions of 2.5-3.5 nm in size to fast-grown multiple-twinned crystallites. The crystallization behavior is influenced by the clusters that form primary particles. Observed sintering behavior cannot be explained by a classical approach; hence, theoretical models need to be adapted to nanosized powders.

  • 7. Ehrl, Lyonel
    et al.
    Soos, Miroslav
    Morbidelli, Massimo
    Bäbler, Matthäus
    Institute of Process Engineering, Dept. of Mechanical and Process Engineering, ETH Zurich.
    Dependence of Initial Cluster Aggregation Kinetics on Shear Rate for Particles of Different Sizes Under Turbulence2009In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 55, no 12, p. 3076-3087Article in journal (Refereed)
    Abstract [en]

    Initial aggregation kinetics for three particle sizes and broad range of Péclet numbers were investigated under turbulent conditions in stirred tank. This allowed us to observe the transition from diffusion-controlled to purely shear-induced aggregation. The evolution of the root-mean-square radius of gyration, zero-angle intensity of scattered light, and obscuration was obtained by small-angle static light scattering. For a given particle sizethe measured evolution of all integral quantities obtained for various volume averageshear rates (G), scales with a dimensionless time, τexp = αexp × (G) × φ × t. The experimentally obtained aggregation efficiency αexp, follows the power law αexp = Pe-n, where Pe is the primary particle Péclet number. With increasing particle size a decrease in n is observed in accordance with theory and literature data. As previously predicted by population balance equation simulations three aggregationregimes were observed experimentally.

  • 8. Finn, Cory K.
    et al.
    Wahlberg, Bo
    KTH, Superseded Departments, Signals, Sensors and Systems.
    Ydstie, B. Erik
    Constrained predictive control using orthogonal expansions1993In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 39, p. 1810-1826Article in journal (Refereed)
    Abstract [en]

    In this article, we approximate bounded operators by orthogonal expansion. The rate of convergence depends on the choice of basis functions. Markov-Laguerre functions give rapid convergence for open-loop stable systems with long delay. The Markov-Kautz model can be used for lightly damped systems, and a more general orthogonal expansion is developed for modeling multivariable systems with widely scattered poles. The finite impulse response model is a special case of these models. A-priori knowledge about dominant time constants, time delay and oscillatory modes is used to reduce the model complexity and to improve conditioning of the parameter estimation algorithm. Algorithms for predictive control are developed, as well as conditions for constraint compatibility, closed-loop stability and constraint satisfaction for the ideal case. An H8-like design technique proposed guarantees robust stability in the presence of input constraints; output constraints may give ᅵchatter.ᅵ A chatter-free algorithm is proposed.

  • 9. Granberg, R. A.
    et al.
    Rasmuson, Åke C.
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Transport Phenomena.
    Crystal growth rates of paracetamol in mixtures of water plus acetone plus toluene2005In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 51, no 9, p. 2441-2456Article in journal (Refereed)
    Abstract [en]

    Crystal growth rates of paracetamol (4-hydroxyacetanilide) have been determined by seeded isothermal desupersaturation experiments at 16 degrees C in 23 different solvent mixtures of water + acetone + toluene. Parameters of different growth rate equations have been estimated by direct nonlinear optimization. At equal thermodynamic driving force, the growth rate depends on the composition of the solvent mixture. In the surface diffusion spiral growth model, this dependency can be described in terms of the interfacial energy between the solid and the solution. A reasonable prediction of the influence of the solvent composition on this interfacial energy is obtained if a proper estimation of the enthalpy of dissolution is done. For the case of paracetamol crystals growing in water + acetone + toluene mixtures this estimation needs to include an estimation of the entropy of fusion at the temperature of growth as well as of the nonideal entropy of mixing.

  • 10.
    Holmqvist, Claes
    et al.
    STFI-Packforsk.
    Dahlkild, Anders
    KTH, School of Engineering Sciences (SCI), Mechanics.
    Consolidation of sheared, strongly flocculated suspensions2008In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 54, no 4, p. 924-939Article in journal (Refereed)
    Abstract [en]

    The concept of a particle concentration dependent yield stress, previously employed in studies of uniaxial consolidation of a flocculated solid phase dispersed in a liquid, is extended to comprise flocculated phase shear strength. The inter-particle stresses are modeled by assuming that the stress state is always located on a yield-surface in stress-space, whose form is adopted from the Cam-clay plasticity theory for the quasistatic consolidation of soil. By treating the time-dependent dewatering of a suspension trapped between a permeable filter and a sliding piston, as well as the asymptotic limit of a cross-flow filtration situation, the differences with respect to the conventional uniaxial models are made apparent, and the effects of the shear stresses on the consolidation process are elucidated. Applying shear is predicted to increase the rate of the drainage process, because of a reduced load bearing capacity of the flocculated phase, and the correspondingly higher pore pressures.

  • 11.
    Ko, Jordan
    et al.
    KTH, School of Engineering Sciences (SCI), Mechanics.
    Zahrai, Said
    KTH, School of Engineering Sciences (SCI), Mechanics.
    Macchion, Olivier
    KTH, School of Engineering Sciences (SCI), Mechanics.
    Vomhoff, Hannes
    Numerical modeling of highly swirling flows in a through-flow cylindrical hydrocyclone2006In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 52, no 10, p. 3334-3344Article in journal (Refereed)
    Abstract [en]

    This article aims to identify the most appropriate numerical methodology for simulating hydrocyclone flows with high swirl numbers. The numerical results are validated against the tangential velocity measurements from a cylindrical hydrocyclone with a swirl number of 8.1, which is twice the typical swirl magnitude of industrial hydrocyclones. The linear and quadratic formulations of the Reynolds stress transport (RST) model are used to simulate the anisotropic swirling turbulent flow three-dimensionally in the commercial software package Fluent (TM). The tangentical velocity profiles predicted by the quadratic RST model are in good agreement with experimental data. They also show Rankine vortex patterns over the entire flow domain. In contrast, the linear RST model fails to predict this important swirl flow feature. In addition, both models predicted a complex axial flow reversal pattern not previously reported in hydrocyclones. This study clearly shows that the quadratic RST model is preferable for future hydrocyclone simulations, especially when the swirl number is large. All necessary physical and numerical parameters used to obtain converged results are given in this article.

  • 12. Kovacs, T.
    et al.
    Tragardh, C.
    Fuchs, Laszlo
    Fourier spectrum to recover deterministic and stochastic behavior in stirred tanks2001In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 47, no 10, p. 2167-2176Article in journal (Refereed)
    Abstract [en]

    Velocity data from the impeller region of Rushton and 6SRGT pilot-scale impellers were analyzed both in the frequency domain and with respect to periodicity. The four characteristic frequencies and their combination were detected from the Fourier spectrum, and the deterministic part of the signal was recovered by making the amplitude of the other frequencies zero. The deterministic part was then analyzed with tools from nonlinear theories. For the two turbine-types, the dynamics of the deterministic velocity parts were almost identical. The turbulent part of the signal could also be estimated in a similar manner.

  • 13.
    Liu, Jiewei
    et al.
    KTH, School of Engineering Sciences (SCI), Mechanics, Physicochemical Fluid Mechanics.
    Do-Quang, Minh
    KTH, School of Engineering Sciences (SCI), Mechanics, Physicochemical Fluid Mechanics.
    Amberg, Gustav
    KTH, School of Engineering Sciences (SCI), Mechanics, Physicochemical Fluid Mechanics.
    Numerical Simulation of Rapid Expansion of Supercritical Carbon Dioxide2015In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 61, no 1, p. 317-332Article in journal (Refereed)
    Abstract [en]

    Axisymmetric rapid expansion of supercritical carbon dioxide is investigated in this article. The extended generalized Bender equation of state is used to give a good description of the fluids over a wide range of pressure and temperature conditions. The locations of Mach disks are analyzed and compared with an experimental correlation for the case where there is no plate positioned in front of the nozzle exit. It is found that the disagreement between our numerical results and the experimental formula is very small when the pressure ratio is small, and increases as the pressure ratio increases. It is also found that with different equations of state, the predicted positions of Mach disks do not differ a lot, but the temperature profiles in the chamber differ a lot. The case where there is a plate positioned in front of the nozzle exit is also studied in this article. A universal similarity solution is obtained.

  • 14. Revstedt, J.
    et al.
    Fuchs, Laszlo
    Kovacs, T.
    Tragardh, C.
    Influence of impeller type on the flow structure in a stirred reactor2000In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 46, no 12, p. 2373-2382Article in journal (Refereed)
    Abstract [en]

    Large eddy simulations (LES) of a stirred reactor with a liquid volume of 0.64 m(3) were performed. The tank was stirred by either two standard Rushton impellers or two Scaba 6SRGT impellers. The LES can provide details of the flow field that cannot be obtained with so-called Reynolds-averaged equations and the corresponding models. The unsteady spatially filtered incompressible Navier-Stokes equations were solved together with a transport equation for the concentration of an inert additive using a multigrid finite difference code with a staggered grid. The unresolved turbulent scales were modeled using a scale similarity model. The aim of this investigation has been to study the influence of impeller type on the flow structure and scalar transport. The results show that, compared at equal power input, the center plane velocities and the volume flow in the impeller stream do not differ much for the impeller types. Also, for the 6SRGT the periodic fluctuations associated with the blade passing is less pronounced.

  • 15.
    Ståhl, Marie
    et al.
    KTH, Superseded Departments, Chemical Engineering and Technology.
    Åslund, Bengt L.
    KTH, Superseded Departments, Chemical Engineering and Technology.
    Rasmuson, Åke C.
    KTH, Superseded Departments, Chemical Engineering and Technology.
    Reaction crystallization kinetics of benzoic acid2001In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 47, no 7, p. 1544-1560Article in journal (Refereed)
    Abstract [en]

    Benzoic acid was crystallized in a T-mixer by mixing hydrochloric acid and an aqueous sodium benzoate solution. Crystallization kinetics were determined by population balance modeling and parameter estimation by nonlinear optimization. The evaluation of several models showed that the model has to be carefully designed. The objective function is highly nonconvex, and the results have to be scrutinized to identify the appropriate optimum. Growth-rate dispersion needs to be accounted for to obtain a reasonable description of experimental product-size distributions. Six parameters of nucleation and growth kinetics were determined simultaneously in an optimization that includes experimental product-size distributions from 14 experiments at 8 different initial supersaturations. The interfacial energy calculated from the corresponding nucleation parameter is 0.015 J/m2. The exponent of the normal power law growth-rate equation receives a value of 2.1, suggesting that growth is controlled by surface integration. The value becomes 2.9 if the logarithm of the supersaturation ratio is used as the driving force. The coefficient of variation of the growth-rate distribution depends only weakly on supersaturation and receives a value of 0.23 if this dependence is neglected. The final model describes experimental data well. The estimated parameters are physically reasonable and provide a physically reasonable description of the entire experiment.

  • 16.
    Torbacke, Marika
    et al.
    KTH, Superseded Departments, Chemical Engineering and Technology.
    Rasmuson, Åke C.
    KTH, Superseded Departments, Chemical Engineering and Technology.
    Mesomixing in semi-batch reaction crystallization and influence of reactor size2004In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 50, no 12, p. 3107-3119Article in journal (Refereed)
    Abstract [en]

    Experiments on semibatch reaction crystallization of benzoic acid are reported, in which hydrochloric acid was fed into an agitated solution of sodium benzoate. The influence of mixing and the influence of reactor size are examined on the product crystal mean size. The product mean size increases with increasing stirring rate and with decreasing feed rate. At low feed rates, the mean size increases at decreasing feed pipe diameter. At high feed rates the influence of the feed pipe diameter is more complex. Micromixing is of some importance in most experiments, but the rate of mesomixing especially governs the process. Mesomixing seems to be adequately described by the inertial-convective disintegration mechanism. In many aspects experimental results cannot be described by the turbulent-dispersion mechanism. The product mean size does not exhibit a clear dependence on reactor size, but depends more strongly on other parameters. Results from experiments from 1 L scale to 200 L scale can be correlated fairly well against a dimensionless number defined as the ratio of the total time of reactant feeding to the time constant of mixing. The best representation of the mixing time constant is obtained by making it directly proportional to the ratio of the feed pipe diameter and the linear velocity of the bulk flow passing the feed pipe. The proportionality constant can be calculated from turbulence data. over the bulk flow at the feed point.

  • 17.
    Vidaurre, Marcia
    et al.
    Faculty of Chemical Engineering, National University of Engineering (UNI), PO Box 5595, Managua, Nicaragua.
    Martínez, Joaquín
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Transport Phenomena.
    Continuous drying of a solid wetted with ternary mixtures1997In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 43, no 3, p. 681-692Article in journal (Refereed)
    Abstract [en]

    The influence on drying selectivity of the continuous-contact mode between a solid wetted with ternary mixtures and a gas stream was theoretically studied. The liquid mixtures, ethanol–isopropanol–water and water–ethanol–acetone, were used. A mathematical model describing a gas-phase-controlled process was developed, and the influence of the process variables was studied by simulations. In addition to the inlet composition of the moisture and temperature of the solid, gas composition has the most important effect on selectivity. Small changes of gas composition, either imposed or spontaneous, may modify completely the process trajectory. The extent of these effects depends on the ratio between the flow rates of inlet gas and liquid contained in the solid. Because of their effects on the evolution of temperature and composition, the operating pressure and energy sources other than convection are also useful in controlling the selectivity. Since all these variables determine the composition of the remaining liquid and thereby product quality, their influence should be predictable. The model may be a valuable tool for exploring the process, provided that drying is gas-phase-controlled.

  • 18.
    Zhang, Feng
    et al.
    KTH, School of Engineering Sciences (SCI), Mechanics. KTH, School of Engineering Sciences (SCI), Centres, Linné Flow Center, FLOW.
    Dahlkild, Anders A.
    KTH, School of Engineering Sciences (SCI), Mechanics. KTH, School of Engineering Sciences (SCI), Centres, Linné Flow Center, FLOW.
    Gustavsson, Katarina
    KTH, School of Engineering Sciences (SCI), Mathematics (Dept.), Numerical Analysis, NA. KTH, School of Engineering Sciences (SCI), Centres, Linné Flow Center, FLOW.
    Lundell, Fredrik
    KTH, School of Engineering Sciences (SCI), Mechanics. KTH, School of Engineering Sciences (SCI), Centres, Linné Flow Center, FLOW. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Near-Wall Convection in a Sedimenting Suspension of Fibers2014In: AIChE Journal, ISSN 0001-1541, E-ISSN 1547-5905, Vol. 60, no 12, p. 4253-4265Article in journal (Refereed)
    Abstract [en]

    The sedimentation of a fiber suspension near a vertical wall is investigated numerically. Initially, the near-wall convection is an upward backflow, which originates from the combined effects of the steric-depleted layer and a hydrodynamically depleted region near the wall. The formation of the hydrodynamically depleted region is elucidated by a convection-diffusion investigation, in which fibers are classified according to the different directions in which they drift. For fibers with sufficiently large aspect ratio, the initial near-wall backflow keeps growing. However, the backflow reverses to downward flow at later times if the aspect ratio is small. This is due to the fiber-wall interactions which rotate fibers to such angles that make fibers drift away from the wall, inducing a dense region and a correspondingly downward flow outside the initial backflow. Moreover, the steric-depleted boundary condition is of secondary importance in the generation and evolution of the near-wall convection.

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