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Dispersion Coefficient (dispersion + coefficient)

Distribution by Scientific Domains

Chemistry	62%
Engineering	18%
Earth and Environmental Science	15%

Selected Abstracts

Application of Residence Time Distribution for Measuring the Fluid Velocity and Dispersion Coefficient

CHEMICAL ENGINEERING & TECHNOLOGY (CET), Issue 1 2007
W. Zhang
Abstract Most studies on residence time distribution (RTD) have focused on the tail of the RTD curve, and very little attention has been paid to the effect of white noise on the measured results. The aim of this work is to study the effect of white noise on the calculated parameters with different data processing methods. The anti-disturbance abilities of the moment method and the least squares method are compared. The results show that the anti-disturbance ability of the least squares method was better than that of the moment method. As a result of peak overlapping in the RTD curve of a loop reactor, the moment method cannot be used to calculate the fluid velocity and dispersion coefficient. Experiments show that the least squares method is still applicable in a loop reactor. [source]

Determination of Transverse Dispersion Coefficients from Reactive Plume Lengths

GROUND WATER, Issue 2 2006
Olaf A. Cirpka
With most existing methods, transverse dispersion coefficients are difficult to determine. We present a new, simple, and robust approach based on steady-state transport of a reacting agent, introduced over a certain height into the porous medium of interest. The agent reacts with compounds in the ambient water. In our application, we use an alkaline solution injected into acidic ambient water. Threshold values of pH are visualized by adding standard pH indicators. Since aqueous-phase acid-base reactions can be considered practically instantaneous and the only process leading to mixing of the reactants is transverse dispersion, the length of the plume is controlled by the ratio of transverse dispersion to advection. We use existing closed-form expressions for multidimensional steady-state transport of conservative compounds in order to evaluate the concentration distributions of the reacting compounds. Based on these results, we derive an easy-to-use expression for the length of the reactive plume; it is proportional to the injection height squared, times the velocity, and inversely proportional to the transverse dispersion coefficient. Solving this expression for the transverse dispersion coefficient, we can estimate its value from the length of the alkaline plume. We apply the method to two experimental setups of different dimension. The computed transverse dispersion coefficients are rather small. We conclude that at slow but realistic ground water velocities, the contribution of effective molecular diffusion to transverse dispersion cannot be neglected. This results in plume lengths that increase with increasing velocity. [source]

Mineral precipitation associated with vertical fault zones: the interaction of solute advection, diffusion and chemical kinetics

GEOFLUIDS (ELECTRONIC), Issue 1 2007
CHONGBIN ZHAO
Abstract This article is concerned with chemical reactions that occur between two interacting parallel fluid flows using mixing in vertical faults as an example. Mineral precipitation associated with fluid flow in permeable fault zones results in mineralization and chemical reaction (alteration) patterns, which in turn are strongly dependent on interactions between solute advection (controlled by fluid flow rates), solute diffusion/dispersion and chemical kinetics. These interactions can be understood by simultaneously considering two dimensionless numbers, the Damköhler number and the Z -number. The Damköhler number expresses the interaction between solute advection (flow rate) and chemical kinetics, while the Z -number expresses the interaction between solute diffusion/dispersion and chemical kinetics. Based on the Damköhler and Z -numbers, two chemical equilibrium length-scales are defined, dominated by either solute advection or by solute diffusion/dispersion. For a permeable vertical fault zone and for a given solute diffusion/dispersion coefficient, there exist three possible types of chemical reaction patterns, depending on both the flow rate and the chemical reaction rate. These three types are: (i) those dominated by solute diffusion and dispersion resulting in precipitation at the lower tip of a vertical fault and as a thin sliver within the fault, (ii) those dominated by solute advection resulting in precipitation at or above the upper tip of the fault, and (iii) those in which advection and diffusion/dispersion play similar roles resulting in wide mineralization within the fault. Theoretical analysis indicates that there exists both an optimal flow rate and an optimal chemical reaction rate, such that chemical equilibrium following focusing and mixing of two fluids may be attained within the fault zone (i.e. type 3). However, for rapid and parallel flows, such as those resulting from a lithostatic pressure gradient, it is difficult for a chemical reaction to reach equilibrium within the fault zone, if the two fluids are not well mixed before entering the fault zone. Numerical examples are given to illustrate the three possible types of chemical reaction patterns. [source]

The effect of surface,solute interactions on the transport of solutes through porous materials

EUROPEAN JOURNAL OF SOIL SCIENCE, Issue 3 2009
D. A. Rose
Summary We have investigated the effect of differences in surface charge, valency of ion, solute concentration, solution flux and physical structure on the leaching and uptake of individual ions from simple solutions flowing through porous materials. We studied the miscible displacement of solutions of four salts (KBr, K2SO4, CaBr2 and CaSO4) having different cation : anion ratios separately through three inert materials (ballotini, pumice and ceramic) and two sizes of a reactive material (sepiolite) over several ranges of concentration (c) and at many pore-water velocities (v) under steady vertical saturated flow. Breakthrough curves of individual effluent ions (K+, Br,, Ca2+ and SO42,) were analysed by CXTFIT 2.0 to optimize transport parameters (retardation factor, R; dispersion coefficient, K) assuming that transport was governed by the convective,dispersion equation. In the inert materials, R did not differ significantly from 1 irrespective of c. In sepiolite, R was < 1 for anions and > 1 for cations, and became more extreme as c decreased. R varied with the valency of the anions, as predicted by diffuse double layer theory, and with that of the cations by a simple charge balance. Freundlich isotherms, reconstructed from R values, described the sorption of the cations and exclusion of the anions. For the inert materials, K did not depend on the ion or c and increased monotonically with v. For sepiolite, K also increased with v and with small but non-significant differences between ions and concentrations. The K(v) functions were consistent with Passioura's theory of dispersion in aggregated media, and the transport was reversible as R and K values did not depend on whether the media were being leached or resalinized. The effective dispersion coefficient of an ion is K* = K/R so, although K(v) appears to be unaffected by ion or concentration of solute in sepiolite, K*(v) will be affected. Thus, the controlling factor of these surface,solute interactions is R. [source]

Pedotransfer functions for solute transport parameters of Portuguese soils

EUROPEAN JOURNAL OF SOIL SCIENCE, Issue 4 2001
M. C. Gonc, alves
Summary The purpose of this study is to quantify solute transport parameters of fine-textured soils in an irrigation district in southern Portugal and to investigate their prediction from basic soil properties and unsaturated hydraulic parameters. Solute displacement experiments were carried out on 24 undisturbed soil samples by applying a 0.05 m KCl pulse during steady flow. The chloride breakthrough curves (BTCs) were asymmetric, with early breakthrough and considerable tailing characteristic of non-equilibrium transport. The retardation factor (R), dispersion coefficient (D), partitioning coefficient (,), and mass transfer coefficient (,) were estimated by optimizing the solution of the non-equilibrium convection,dispersion equation (CDE) to the breakthrough data. The solution could adequately describe the observed data as proved by a median of 0.972 for the coefficient of determination (r2) and a median for the mean squared error (MSE) of 5.1 × 10,6. The median value for R of 0.587 suggests that Cl, was excluded from a substantial part of the liquid phase. The value for , was typically less than 0.5, but the non-equilibrium effects were mitigated by a large mass transfer coefficient (, > 1). Pedotransfer functions (PTFs) were developed with regression and neural network analyses to predict R, D, , and , from basic soil properties and unsaturated hydraulic parameters. Fairly accurate predictions could be obtained for logD (r2 , 0.9) and , (r2 , 0.8). Prediction for R and log, were relatively poor (r2 , 0.5). The artificial neural networks were all somewhat more accurate than the regression equations. The networks are also more suitable for predicting transport parameters because they require only three input variables, whereas the regression equations contain many predictor variables. [source]

Determination of Transverse Dispersion Coefficients from Reactive Plume Lengths

Transient storage and downstream solute transport in nested stream reaches affected by beaver dams

HYDROLOGICAL PROCESSES, Issue 17 2009
Li Jin
Abstract Transient storage constitutes a key element in the hydrologic cycle of watersheds. Both in-channel slow moving water (dead zones) and hyporheic zones can contribute to transient storage, which retains water and solutes, increases residence time and influences solute transport in streams. Beaver dams and other in-stream obstructions throughout low-order streams attenuate streamflow and provide dead zone storage in pools. In this article, we report the results of four tracer tests in nested stream reaches in Cherry Creek (Wyoming, USA) covering ,2·5 km of stream length to explore how the degree of beaver dam obstructions and their impoundments influence water transient storage and downstream solute transport in low-order streams in the Rocky Mountain region of the American West. Travel-time parameters for the tracer tests increased linearly with beaver dam number (N) and pond size (V). Linear regression of the travel time to the peak concentration (Tp), the leading (Tl) and tailing edge (Tt) of the dye cloud and the duration of the dye cloud (Td) versus N and V were all significant (R2 = 0·99). Slopes of the linear regressions of Tt versus N and V, were three times larger than those for Tl, suggesting that longer residence times may be caused, in part, by transient storage in the stream system. One-dimensional transport with inflow and storage (OTIS) modelled cross-sectional area of transient storage zone (As) and dispersion coefficients (D) increased linearly with N and V and reach length. Two transient storage metrics, Fmean and , also showed a general increase with N and V, although the relationship was not as strong. This suggests that in-channel dead zones associated with beaver dams provide opportunities for generating transient water storage. The linear relationship between dispersion coefficient and reach length suggests the dispersion process might be analogous to the hydrodynamic dispersion in groundwater settings. Copyright © 2009 John Wiley & Sons, Ltd. [source]

Solute movement through intact columns of cryoturbated Upper Chalk

HYDROLOGICAL PROCESSES, Issue 13 2008
M. Mahmood-ul-Hassan
Abstract Cryoturbated Upper Chalk is a dichotomous porous medium wherein the intra-fragment porosity provides water storage and the inter-fragment porosity provides potential pathways for relatively rapid flow near saturation. Chloride tracer movement through 43 cm long and 45 cm diameter undisturbed chalk columns was studied at water application rates of 0·3, 1·0, and 1·5 cm h,1. Microscale heterogeneity in effluent was recorded using a grid collection system consisting of 98 funnel-shaped cells each 3·5 cm in diameter. The total porosity of the columns was 0·47 ± 0·02 m3 m,3, approximately 13% of pores were , 15 µm diameter, and the saturated hydraulic conductivity was 12·66 ± 1·31 m day,1. Although the column remained unsaturated during the leaching even at all application rates, proportionate flow through macropores increased as the application rate decreased. The number of dry cells (with 0 ml of effluent) increased as application rate decreased. Half of the leachate was collected from 15, 19 and 22 cells at 0·3, 1·0, 1·5 cm h,1 application rates respectively. Similar breakthrough curves (BTCs) were obtained at all three application rates when plotted as a function of cumulative drainage, but they were distinctly different when plotted as a function of time. The BTCs indicate that the columns have similar drainage requirement irrespective of application rates, as the rise to the maxima (C/Co) is almost similar. However, the time required to achieve that leaching requirement varies with application rates, and residence time was less in the case of a higher application rate. A two-region convection,dispersion model was used to describe the BTCs and fitted well (r2 = 0·97,0·99). There was a linear relationship between dispersion coefficient and pore water velocity (correlation coefficient r = 0·95). The results demonstrate the microscale heterogeneity of hydrodynamic properties in the Upper Chalk. Copyright © 2007 John Wiley & Sons, Ltd. [source]

Time-dependent density functional theory calculation of van der Waals coefficient of potassium clusters

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 6 2009
Arup Banerjee
Abstract We employ all-electron ab initio time-dependent density functional theory (DFT)-based method to calculate the long range dipole,dipole dispersion coefficient (van der Waals coefficient) C6 of potassium atom clusters (Kn) containing even number of atoms, n ranging from 2 to 20. The dispersion coefficients are obtained via Casimir,Polder relation. The calculations are carried out with the asymptotically correct statistical average of orbital potential and compared with the results obtained using Vosko,Wilk,Nusair representation of exchange-correlation potential within local density approximation. We report the dispersion coefficients between clusters of sodium and potassium atoms as well. The present results have been compared with the available jellium-based model and other DFT results in the literature. We also study the relationship between volume of the cluster and the C6 for K clusters. It is observed that the C6 scales as square of the volume. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009 [source]

Sorption of copper by a highly mineralized peat in batch and packed-bed systems

JOURNAL OF CHEMICAL TECHNOLOGY & BIOTECHNOLOGY, Issue 2 2010
Marta Izquierdo
Abstract BACKGROUND: The performance of peat for copper sorption was investigated in batch and fixed-bed experiments. The effect of pH was evaluated in batch experiments and the experimental data were fitted to an equilibrium model including pH dependence. Hydrodynamic axial dispersion was estimated by tracing experiments using LiCl as a tracer. Six fixed-bed experiments were carried out at copper concentrations between 1 and 60 mg dm,3 and the adsorption isotherm in dynamic mode was obtained. A mass transport model including convection,dispersion and sorption processes was applied for breakthrough curve modelling. RESULTS: Maximum uptake capacities in batch mode were 22.0, 36.4, and 43.7 mg g,1 for pH values of 4.0, 5.0, and 6.0, respectively. Uptake capacities in continuous flow systems varied from 36.5 to 43.4 mg g,1 for copper concentrations between 1 and 60 mg dm,3. Dynamic and batch isotherms showed different shapes but a similar maximum uptake capacity. Sorbent regeneration was successfully performed with HCl. A potential relationship between dispersion coefficient and velocity was obtained with dispersion coefficients between 5.00 × 10,8 and 2.95 × 10,6 m2 s,1 for water velocities ranging between 0.56 × 10,4 and 5.03 × 10,4 m s,1. The mass transport model predicted both the breakpoints and the shape of the breakthrough curves. CONCLUSIONS: High retention capacities indicate that peat can be used as an effective sorbent for the treatment of wastewater containing copper ions. Copyright © 2009 Society of Chemical Industry [source]

Multiparameter models for performance analysis of UASB reactors

JOURNAL OF CHEMICAL TECHNOLOGY & BIOTECHNOLOGY, Issue 8 2008
C M Narayanan
Abstract BACKGROUND: UASB (upflow anaerobic sludge blanket) bioreactors have the distinct advantage that they do not demand support particles and provide a high rate of bioconversion even with high strength feedstocks. Although apparently simple in construction, the performance analysis of these reactors involves a high degree of mathematical complexity. Most simulation models reported in the literature are rudimentary in nature as they involve gross approximations. In the present paper, two multiparameter simulation packages are presented that make no simplifying assumptions and hence are more rigorous in nature. RESULTS: The first package assumes the sludge bed to be a plug-flow reactor (PFR) and the sludge blanket to be an ideal continuous stirred tank reactor (CSTR). The second package equates the reactor to a plug flow dispersion reactor (PFDR), the axial dispersion coefficient however being a function of axial distance. The three phase nature of the sludge blanket has been considered and the variation of gas velocity in the axial direction has been taken into account. Three different kinetic equations have been considered. Resistance to diffusion of substrate into sludge granules has been accounted for by incorporating appropriately defined effectiveness factors. The applicability of simulation packages developed has been ascertained by comparing with real-life data collected from industrial/pilot plant/laboratory UASB reactors. The maximum deviation observed is ± 15%. CONCLUSIONS: Although the software packages developed have high computational load, their applicability has been successfully ascertained and they may be recommended for design and installation of industrial UASB reactors and also for the rating of existing installations. Copyright © 2008 Society of Chemical Industry [source]

Improving the prediction of liquid back-mixing in trickle-bed reactors using a neural network approach

JOURNAL OF CHEMICAL TECHNOLOGY & BIOTECHNOLOGY, Issue 9 2002
Simon Piché
Abstract Current correlations aimed at estimating the extent of liquid back-mixing, via an axial dispersion coefficient, in trickle-bed reactors continue to draw doubts on their ability to conveniently represent this important macroscopic parameter. A comprehensive database containing 973 liquid axial dispersion coefficient measurements (DAX) for trickle-bed operation reported in 22 publications between 1958 and 2001 was thus used to assess the convenience of the few available correlations. It was shown that none of the literature correlations was efficient at providing satisfactory predictions of the liquid axial dispersion coefficients. In response, artificial neural network modeling is proposed to improve the broadness and accuracy in predicting the DAX, whether the Piston,Dispersion (PD), Piston,Dispersion,Exchange (PDE) or PDE with intra-particle diffusion model is employed to extract the DAX. A combination of six dimensionless groups and a discrimination code input representing the residence-time distribution models are used to predict the Bodenstein number. The inputs are the liquid Reynolds, Galileo and Eötvos numbers, the gas Galileo number, a wall factor and a mixed Reynolds number involving the gas flow rate effect. The correlation yields an absolute average error (AARE) of 22% for the whole database with a standard deviation on the AARE of 24% and remains in accordance with parametric influences reported in the literature. © 2002 Society of Chemical Industry [source]

Impact of retention on trans-column velocity biases in packed columns

AICHE JOURNAL, Issue 6 2010
Fabrice Gritti
Abstract The heights equivalent to a theoretical plate of a weakly and strongly retained compounds were measured on two packed columns having different average mesopore sizes. The measurements were carried out in two different cases, with access to the mesopores by the sample molecules blocked (filled with n-nonane) or not. The experimental results demonstrate that the eddy dispersion terms of both columns are significantly smaller for porous than for nonporous particles. Two simultaneous phenomena explain this observation. First, packed columns are radially heterogeneous which causes significant trans-column velocity biases warping the bands. Second, radial dispersion contributes to mass transfer across the column, relaxing the radial concentration gradients that are caused by these velocity biases. The impact of these biases is minimized when the pores of the particles are not blocked; it decreases with increasing residence time and radial dispersion coefficient of the solutes. © 2009 American Institute of Chemical Engineers AIChE J, 2009 [source]

On the use of large time steps with ELLAM for transport with kinetic reactions over heterogeneous domains

AICHE JOURNAL, Issue 5 2009
Marwan Fahs
Abstract An Eulerian Lagrangian localized adjoint method (ELLAM) is considered for the resolution of advection-dominated transport problems in porous media. Contrary to standard Eulerian methods, ELLAM can use large time steps because the advection term is approximated accurately without any CFL restriction. However, it is shown in this article that special care must be taken for the approximation of the dispersive and reactive terms when large time steps are used over heterogeneous domains. An alternative procedure is proposed. It is based on an equivalent dispersion coefficient or an equivalent reaction rate when different zones are encountered during the tracking. Numerical experiments are performed with variable dispersion or variable reaction rates over space (including nonlinearity). When classical ELLAM require numerous time steps to handle heterogeneity, the alternative procedure is shown to perform with the same accuracy in a single time step. © 2009 American Institute of Chemical Engineers AIChE J, 2009 [source]

Determination of cubic equation of state parameters for pure fluids from first principle solvation calculations

AICHE JOURNAL, Issue 8 2008
Chieh-Ming Hsieh
Abstract A new method for estimation of parameters in cubic equations of state from ab initio solvation calculations is presented. In this method, the temperature-dependent interaction parameter a(T) is determined from the attractive component of solvation free energy, whereas the volume parameter b is assumed to be that of solvation cavity. This method requires only element-specific parameters, i.e., atomic radius and dispersion coefficient, and nine universal parameters for electrostatic and hydrogen-bonding interactions. The equations of state (EOS) parameters so determined allow the description of the complete fluid phase diagram, including the critical point. We have examined this method using the Peng,Robinson EOS for 392 compounds and achieved an accuracy of 43% in vapor pressure, 17% in liquid density, 5.4% in critical temperature, 11% in critical pressure, and 4% in critical volume. This method is, in principle, applicable to any chemical species and is especially useful for those whose experimental data are not available. © 2008 American Institute of Chemical Engineers AIChE J, 2008 [source]

Two-scale continuum model for simulation of wormholes in carbonate acidization

AICHE JOURNAL, Issue 12 2005
Mohan K. R. Panga
Abstract A two-scale continuum model is developed to describe transport and reaction mechanisms in reactive dissolution of a porous medium, and used to study wormhole formation during acid stimulation of carbonate cores. The model accounts for pore level physics by coupling local pore-scale phenomena to macroscopic variables (Darcy velocity, pressure and reactant cup-mixing concentration) through structure-property relationships (permeability-porosity, average pore size-porosity, and so on), and the dependence of mass transfer and dispersion coefficients on evolving pore scale variables (average pore size and local Reynolds and Schmidt numbers). The gradients in concentration at the pore level caused by flow, species diffusion and chemical reaction are described using two concentration variables and a local mass-transfer coefficient. Numerical simulations of the model on a two-dimensional (2-D) domain show that the model captures the different types of dissolution patterns observed in the experiments. A qualitative criterion for wormhole formation is developed and it is given by , , O(1), where , = . Here, keff is the effective volumetric dissolution rate constant, DeT is the transverse dispersion coefficient, and uo is the injection velocity. The model is used to examine the influence of the level of dispersion, the heterogeneities present in the core, reaction kinetics and mass transfer on wormhole formation. The model predictions are favorably compared to laboratory data. © 2005 American Institute of Chemical Engineers AIChE J, 2005 [source]

Modeling of protein breakthrough performance in cryogel columns by taking into account the overall axial dispersion

JOURNAL OF SEPARATION SCIENCE, JSS, Issue 15-16 2009
Junxian Yun
Abstract A model considering the overall axial dispersion for describing protein adsorption and breakthrough in monolithic cryogel beds has been developed. The microstructure of cryogels was characterized by tortuous capillaries with a normal diameter distribution but a constant pore wall thickness. The axial dispersion within cryogel columns was described by using the overall axial dispersion coefficient, which can be easily obtained by matching the experimental breakthrough curves without adsorption or measuring residence time distributions (RTDs). Experimental breakthrough curves of lysozyme within a metal-chelated affinity cryogel by Persson et al. (Biotechnol. Bioeng. 2004, 88, 224,236) and a cation-exchange cryogel by Yao et al. (J. Chromatogr. A 2007, 1157, 246,251) were employed as examples to test the model. The results showed that by using the axial dispersion coefficient and assuming uniform radial concentration profile at a given cross-section of the cryogel along the bed height, the model can describe the detailed behaviors of the in-bed overall axial dispersion, the in-pore mass transfer, as well as the protein adsorption and breakthrough. For a known overall axial dispersion coefficient, the lumped parameter of the mass transfer coefficient between the bulk liquid and the capillary wall can be determined by fitting the protein breakthrough curve at a known chromatographic condition. Once this parameter is determined, the model can be used to predict the protein breakthrough profiles under different conditions based on the basic physical parameters of the cryogel bed and the properties of the fluid and protein. The effective capillary diameters employed in the model are close to the actual pore sizes observed from the images by SEM. The model predictions of lysozyme breakthrough profiles at various flow rates are also in good agreement with the experimental data in both the metal-chelated affinity and cation-exchange cryogel columns. [source]

Exact solutions of space,time dependent non-linear Schrödinger equations

MATHEMATICAL METHODS IN THE APPLIED SCIENCES, Issue 9 2004
Hang-yu Ruan
Abstract Using a general symmetry approach we establish transformations between different non-linear space,time dependent evolution equations of Schrödinger type and their respective solutions. As a special case we study the transformation of the standard non-linear Schrödinger equation (NLS)-equation to a NLS-equation with a dispersion coefficient which decreases exponentially with increasing distance along the fiber. By this transformation we construct from well known solutions of the standard NLS-equation some new exact solutions of the NLS-equation with dispersion. Copyright 2004 John Wiley & Sons, Ltd. [source]

Activated Carbon Adsorbent for the Aqueous Phase Adsorption of Amoxicillin in a Fixed Bed

CHEMICAL ENGINEERING & TECHNOLOGY (CET), Issue 4 2010
N. J. R. Ornelas
Abstract Equilibrium constant and mass transfer parameters are needed for the study of amoxicillin separation in any process involving adsorption in fixed beds. In this work, the adsorption of amoxicillin and 6-aminopenillanic acid in aqueous solution on activated carbon were studied using static adsorption tests. The adsorption capacity was found to be strongly dependent on the pH of the aqueous phase. The adsorption constants, overall mass transfer coefficients, and axial dispersion coefficients for amoxicillin and 6-aminopenillanic acid were determined, by moment analysis, from a series of step tests in a fixed bed packed with activated carbon. The total bed voidage and axial dispersion coefficient were estimated from blue dextran pulse test data at different flow rates. The results show that adsorption intensity increased with increasing temperature. Furthermore, the increasing trend of HETP with velocity suggests that axial dispersion and mass transfer resistance control the column efficiency. [source]

Application of Residence Time Distribution for Measuring the Fluid Velocity and Dispersion Coefficient

Determination of Transverse Dispersion Coefficients from Reactive Plume Lengths

Transient storage and downstream solute transport in nested stream reaches affected by beaver dams

Time-dependent density functional theory calculation of van der Waals coefficient of potassium clusters

Sorption of copper by a highly mineralized peat in batch and packed-bed systems

Fabrication by three-phase emulsification of pellicular adsorbents customised for liquid fluidised bed adsorption of bioproducts

JOURNAL OF CHEMICAL TECHNOLOGY & BIOTECHNOLOGY, Issue 11 2003
Mohsen Jahanshahi
Abstract A novel dense pellicular adsorbent, custom-designed for liquid fluidised bed adsorption of protein bioproducts, has been fabricated by coating zirconia,silica particles with agarose gel in a three-phase emulsification process. A slurry feedstock comprising solid zirconia,silica particles (120 µm average diameter) suspended in an aqueous solution of agarose was emulsified in an oil,surfactant mixture in a stirred vessel to yield composite droplets. These were subsequently stabilised by cooling to form spherical pellicular particles characterised by a porous, pellicular coat cast upon a solid core. The impact of agitation speed, surfactant concentration, oil viscosity and slurry composition upon the pellicle depth and overall particle diameter was investigated. Pellicle depth decreased with increasing impeller speed and decreased oil viscosity, whilst increased slurry viscosity enhanced that parameter. Initial increases from low concentrations of Span 80 surfactant (0.1% w/v oil) reduced the depth of the agarose pellicle, but the highest values investigated (1.5% w/v oil) promoted particle aggregation. The fluidisation behaviour of particles fabricated under various conditions was characterised by the measurement of expansion coefficients and axial dispersion coefficients for the liquid phase when operated in a standard fluidised bed contactor. Both parameters were found to be comparable or superior to those reported for conventional, composite fluidised bed adsorbents. The controlled coating of porous agarose upon a solid core to yield specific pellicular geometries is discussed in the context of the fabrication of adsorbents customised for the recovery of a variety of bioproducts (macromolecules, nanoparticulates) from complex particulate feedstocks (whole broths, cell disruptates and unclarified bio-extracts). Given the agreement between the size of the pellicular particles and the trends expected from theory, the large-scale manufacture of such particles for customised industrial use is recommended. Copyright © 2003 Society of Chemical Industry [source]

Improving the prediction of liquid back-mixing in trickle-bed reactors using a neural network approach

Two-scale continuum model for simulation of wormholes in carbonate acidization

Experimental investigation of the hydrodynamics in a liquid,solid riser

AICHE JOURNAL, Issue 3 2005
Shantanu Roy
Abstract Liquid,solid fluid dynamics has been investigated in a 6-in. (0.15 m) "cold-flow" circulating fluidized bed riser using non-invasive flow monitoring methods. Gamma-ray computed tomography (CT) was used to measure the time-averaged cross-sectional solids volume fraction distributions at several elevations. The time-averaged mean and "fluctuating" solids velocity fields were quantified using the computer-automated radioactive particle tracking (CARPT) technique. The experimental equipment, protocol of implementation, and data analysis have been discussed briefly, with particular emphasis on the specific features in the use of these techniques for studying high-density turbulent flows as in a liquid,solid riser. The experimental study examines nine operating conditions, that is, three liquid superficial velocities and three solids flow rates. The solids holdup profile is found to be relatively uniform across the cross section of the riser, with marginal segregation near the walls. The time-averaged solids velocity profiles are found to have a negative component at the walls, indicating significant solids backmixing. Detailed characterization of the solids velocity fields in terms of RMS velocities, kinetic energies, Hurst exponents, residence time distributions, trajectory length distributions, dispersion coefficients, and so forth are presented. Comparative and symbiotic analyses of the results were used to develop a coherent picture of the solids flow field. In addition, the work also serves to demonstrate the power and versatility of these flow-imaging techniques in studying highly turbulent and opaque multiphase systems. © 2005 American Institute of Chemical Engineers AIChE J, 51: 802,835, 2005 [source]

Axial liquid mixing in high-pressure bubble columns

AICHE JOURNAL, Issue 8 2003
G. Q. Yang
Axial dispersion coefficients of the liquid phase in bubble columns at high pressure are investigated using the thermal dispersion technique. Water and hydrocarbon liquids are used as the liquid phase. The system pressure varies up to 10.3 MPa and the superficial gas velocity varies up to 0.4 cm/s, which covers both the homogeneous bubbling and churn-turbulent flow regimes. Experimental results show that flow regime, system pressure, liquid properties, liquid-phase motion, and column size are the main factors affecting liquid mixing. The axial dispersion coefficient of the liquid phase increases with an increase in gas velocity and decreases with increasing pressure. The effects of gas velocity and pressure on liquid mixing can be explained based on the combined mechanism of global liquid internal circulation and local turbulent fluctuations. The axial liquid dispersion coefficient also increases with increasing liquid velocity due to enhanced liquid-phase turbulence. The scale-up effect on liquid mixing reduces as the pressure increases. [source]

Modelling the reciprocal water exchange between a river (Havel) and a lake (Tegeler See) during spring and autumn overturns

LAKES & RESERVOIRS: RESEARCH AND MANAGEMENT, Issue 3 2000
Karl-Erich Lindenschmidt
Abstract A finite volume computer model (current flow and transport) was used to simulate the reciprocal water exchange between a river (Havel) and a lake (Tegeler See) appendaged to the river in Berlin, Germany. The discretization of the model control volume is 2-D along the plane of the water surface, which restricts the modelling to time periods of complete overturn. The finite volume method does, however, allow a depth to be given for each volume cell. A k -, turbulence submodel was integrated into the model to calculate the distinct dispersion coefficients for each volume cell. As current flow measurements were unavailable, the model was verified indirectly by the transport simulation of dissolved chloride, a conservative substance. The results show that the Havel contributes up to 30% of the total inflow to Tegeler See when it is overturned. As the Havel is more heavily polluted with respect to phosphorus loading, this has negative implications to the water quality of Tegeler See. Suggestions are given for controlling the Havel inflow amount by increasing the output of the phosphate elimination facility, the second main inflow to Tegeler See. Its output has very low phosphorus concentrations and serves as a flushing function. [source]