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Mass transfer in bubbly flows is important in many engineering applications. Simulation of such processes on technical scales is feasible by the Euler-Euler two-fluid model, which relies on suitable closure relations describing interfacial exchange processes. In comparison with the pure fluid dynamics of bubbly flows however, modeling and simulation of bubbly flows including mass transfer is significantly less developed. In particular, previous studies have focused entirely on absorption in upward vertical flows, whereas the present study considers a larger variety of conditions including desorption and counter-current (downward) flow. Suitable experimental data for comparison are available from the classic work of Deckwer et al. [Canadian Journal of Chemical Engineering 56 (1978) 43-55]. In line with previous studies on the co-current absorption cases from that work, a monodisperse approximation is made. In addition, a class method to treat bubble shrinkage and growth is implemented in the OpenFOAM code and tested by showing the crossover between two monodisperse cases.

Mass transfer in bubbly flows is important in many engineering applications. Simulation of such processes on technical scales is feasible by the Euler-Euler two-fluid model, which relies on suitable closure relations describing interfacial exchange processes. In comparison with the pure fluid dynamics of bubbly flows however, modeling and simulation of bubbly flows including mass transfer is significantly less developed. In particular, previous studies have focused entirely on absorption in upward vertical flows, whereas the present study considers a larger variety of conditions including desorption and counter-current (downward) flow. Suitable experimental data for comparison are available from the classic work of Deckwer et al. [Canadian Journal of Chemical Engineering 56 (1978) 43-55]. In line with previous studies on the co-current absorption cases from that work, a monodisperse approximation is made. In addition, a class method to treat bubble shrinkage and growth is implemented in the OpenFOAM code and tested by showing the crossover between two monodisperse cases.

© 2008 Elsevier B.V. This work was financially supported by FP6 European Funds under Marie Curie project: AMERAC no. MTKD-CT-2004-509226. The authors gratefully acknowledge this financial support., Pervaporation is applied for acetone, acetonitrile and ethanol removal from water solutions. The separation of binary acetone-water, acetonitrile-water and ethanol-water mixtures was initially carried out. The effects of feed concentration and feed temperature on the pervaporation performance, total and partial permeate fluxes as well as organic selectivity, have been investigated. The overall mass transfer coefficients have been determined and discussed for each organic-water mixture at different conditions of feed temperature and initial organic feed concentrations. The overall and individual activation energies of water and each organic compound associated to the permeation process have been calculated. Finally, pervaporation was applied to wastewater solutions containing acetone, acetonitrile and ethanol at a temperature of 40 degrees C. The organic selectivity was found to be in the order of acetone > acetonitrile > ethanol., Unión Europea. FP6, Depto. de Estructura de la Materia, Física Térmica y Electrónica, Fac. de Ciencias Físicas, TRUE, pub

© 2008 Elsevier B.V. The authors of the present paper gratefully acknowledge the support of the Middle East Desalination Research Centre (MEDRC) through the project 04-AS-006 and the Spanish Ministry of Science and Education (MEC) (Project FIS2006-05323)., For the first time, a mathematical model is presented to validate the hydrophobic/hydrophilic composite membrane concept in membrane distillation (MD). This mathematical model aims at providing the optimal characteristics of both hydrophobic and hydrophilic layers as well as giving the guidelines to prepare highly efficient MD membranes. The model was tested by the experimental data obtained from four laboratory-made and two commercial membranes. A very good agreement between the experimental and theoretical values for the vapour fluxes was obtained. In addition, the effect of morphological characteristics of both hydrophobic top-layer and hydrophilic sub-layer was studied by simulating the permeate flux, when the membranes were used for direct contact membrane distillation (DCMD). Those characteristics include hydrophobic top-layer porosity and hydrophilic sub-layer porosity, thicknesses of the hydrophobic and hydrophilic layers and their thermal conductivity. Throughout the proposed model, a criterion parameter (f(i)) reflecting the hydrophobic top-layer and hydrophilic sub-layer morphology was identified. It was found that the criterion parameter (f(i)) should be lower than unity in order to improve the permeate flux by increasing the hydrophilic sub-layer thickness when the total membrane thickness is constant. All the tested membranes in this study satisfied this requirement. The simulation further indicated that, the calculated DCMD theoretical flux increased enormously with increasing the hydrophilic sub-layer thickness. Moreover, the theoretical flux increased with increasing both the hydrophobic and hydrophilic layers' porosities, but it was more pronounced for the hydrophobic top-layer porosity. It was also found that the permeate flux is highly enhanced by increasing the sub-layer thermal conductivity at infinite heat transfer coefficients, but this effect was less pronounced when the heat transfer coefficients are not infinity., Middle East Desalination Research Centre (MEDRC), Spanish Ministry of Science and Education (MEC), Depto. de Estructura de la Materia, Física Térmica y Electrónica, Fac. de Ciencias Físicas, TRUE, pub

Microbial electrosynthesis is an uprising concept for the combined carbon dioxide reduction and electricity storage in the form of green chemical compounds. Although several proof of principle studies show great promise, mass-transfer limitations of substrates, protons and products remains one of the issues that needs to be addressed to bring the systems towards greater scale applications. A previously tested solution formed force flow-through catholyte recirculation, but this set-up encountered difficulties with gas accumulation during start-up at higher current densities (∼ −10 kA/m3), creating the need for a bypass to release gas. In this study, start-up at high current density was achieved without a bypass by using an alternating flow-through regime. This regime decreased the operating energy input from 221 to 136 kWh per kg of produced hydrogen and reached acetate production within 10 days after start-up at high current density and elongation to n-caproate after 45 days. Mass-transfer studies were included by microsensor measurements of local conditions (hydrogen concentration, pH) combined with thermodynamic calculations at the start and end of 60-days biotic experiments. The microorganisms on the cathode decreased pH gradients and consumed the formed hydrogen. The presence of Clostridium sensu stricto 12 and Peptococcaceae species were related to chain elongation activity, and the presence of Methanobrevibacter was linked to methanogenesis activity. By identifying the effects of different flow-through strategies on local concentrations and functional microbial groups, this work provides insights on the optimal conditions for microbial CO2 conversion and highlight the application potential of microbial electrosynthesis.

This dataset contains cell potential measurements, local current/potential of cathode layers, local pH and hydrogen measurements, reactor checkup data and raw gas chromatography data, This dataset contains cell potential measurements, local current/potential of cathode layers, local pH and hydrogen measurements, reactor checkup data and raw gas chromatography data

Mass transfer in bubbly flows is a field of obvious technological importance. On industrially relevant scales it may be studied by simulations based on the Euler-Euler two-fluid model, which however requires closure models for the interfacial exchange processes. Despite recently increased efforts, modelling of the exchange of mass between the phases is still much less developed than the corresponding exchange of momentum. The present study compares several proposed models for the mass transfer coefficient using a previously established set of closure relations for the purely fluid dynamical part of the problem. A set of experimental data for the absorption of O2 into water in a bubbly mixing layer from the literature is used to assess their relative merits. A model for the pertinent material properties of this system has been assembled from available measurements. A rather sensitive dependence of the amount of absorbed O2 is found on the pressure, which varies with the hydrostatic head above the test section.

Mass transfer in bubbly flows is a field of obvious technological importance. On industrially relevant scales it may be studied by simulations based on the Euler-Euler two-fluid model, which however requires closure models for the interfacial exchange processes. Despite recently increased efforts, modelling of the exchange of mass between the phases is still much less developed than the corresponding exchange of momentum. The present study compares several proposed models for the mass transfer coefficient using a previously established set of closure relations for the purely fluid dynamical part of the problem. A set of experimental data for the absorption of O2 into water in a bubbly mixing layer from the literature is used to assess their relative merits. A model for the pertinent material properties of this system has been assembled from available measurements. A rather sensitive dependence of the amount of absorbed O2 is found on the pressure, which varies with the hydrostatic head above the test section.

Bubble column reactors are extensively used in a variety of industrial processes involving gas-liquid mass transfer along with chemical reactions. Despite intensive research, knowledge on the mass transfer is still limited in comparison with that on the fluid dynamics, which provides an open field of research. In this study, mass transfer of CO2 between air bubbles and water in a bubble column is investigated using Euler-Euler simulations in OpenFOAM. Previously validated fluid dynamics models are applied and focus is put on the description of the mass transfer. Experimental data to validate the results are taken from the study of Deckwer providing axial profiles of gas fraction, and carbon dioxide concentration in both phases. Previous work considering only cases with co-current absorption is extended to also include the cases with counter-current flow and desorption. Some simplifications are made in accordance with the previous work, i.e. taking the bubble diameter to be constant and using the experimentally determined values for the mass transfer coefficient. Despite these simplifications, the simulation results show a quite good agreement with the experimental data. As a second step, the change in bubble size due to the mass transfer is included in the simulations by means of a population balance equation discretized using the class method. The well-known model of Brauer is implemented as an example of a bubble size dependent mass transfer coefficient. Since experimental data including the development of bubble size are not available for comparison, an initial validation is provided by comparison of the polydisperse calculation with two monodisperse calculations corresponding to initial and final size in the former.

Bubble column reactors are extensively used in a variety of industrial processes involving gas-liquid mass transfer along with chemical reactions. Despite intensive research, knowledge on the mass transfer is still limited in comparison with that on the fluid dynamics, which provides an open field of research. In this study, mass transfer of CO2 between air bubbles and water in a bubble column is investigated using Euler-Euler simulations in OpenFOAM. Previously validated fluid dynamics models are applied and focus is put on the description of the mass transfer. Experimental data to validate the results are taken from the study of Deckwer providing axial profiles of gas fraction, and carbon dioxide concentration in both phases. Previous work considering only cases with co-current absorption is extended to also include the cases with counter-current flow and desorption. Some simplifications are made in accordance with the previous work, i.e. taking the bubble diameter to be constant and using the experimentally determined values for the mass transfer coefficient. Despite these simplifications, the simulation results show a quite good agreement with the experimental data. As a second step, the change in bubble size due to the mass transfer is included in the simulations by means of a population balance equation discretized using the class method. The well-known model of Brauer is implemented as an example of a bubble size dependent mass transfer coefficient. Since experimental data including the development of bubble size are not available for comparison, an initial validation is provided by comparison of the polydisperse calculation with two monodisperse calculations corresponding to initial and final size in the former.

With the technological advances in 3D printing technology, which are associated with ever-increasing printing resolution, additive manufacturing is now increasingly being used for rapid manufacturing of complex devices including microsystems development for laboratory applications. Personalized experimental devices or entire bioreactors of high complexity can be manufactured within few hours from start to finish. This study presents a customized 3D-printed micro bubble column reactor (3D-µBCR), which can be used for the cultivation of microorganisms (e.g., Saccharomyces cerevisiae) and allows online-monitoring of process parameters through integrated microsensor technology. The modular 3D-µBCR achieves rapid homogenization in less than 1 s and high oxygen transfer with kLa values up to 788 h−1 and is able to monitor biomass, pH, and DOT in the fluid phase, as well as CO2 and O2 in the gas phase. By extensive comparison of different reactor designs, the influence of the geometry on the resulting hydrodynamics was investigated. In order to quantify local flow patterns in the fluid, a three-dimensional and transient multiphase Computational Fluid Dynamics model was successfully developed and applied. The presented 3D-µBCR shows enormous potential for experimental parallelization and enables a high level of flexibility in reactor design, which can support versatile process development. © 2021, The Author(s).

Recent 1D core-collapse simulations indicate a nonmonotonicity of the explodability of massive stars with respect to their precollapse core masses, which is in contrast to commonly used prescriptions. In this work, we explore the implications of these results on the formation of coalescing black hole (BH)-neutron star (NS) binaries. Furthermore, we investigate the effects of natal kicks and the NS's radius on the synthesis of such systems and potential electromagnetic counterparts (EMCs) linked to them. Models based on 1D core-collapse simulations result in a BH-NS merger detection rate ( similar to 2.3 yr(-1)), 5-10 times larger than the predictions of "standard" prescriptions. This is primarily due to the formation of low-mass BHs via direct collapse, and hence no natal kicks, favored by the 1D simulations. The fraction of observed systems that will produce an EMC, with the supernova engine from 1D simulations, ranges from 2% to 25%, depending on the NS equation of state. Notably, in most merging systems with EMCs, the NS is the first-born compact object, as long as the NS's radius is less than or similar to 12 km. Furthermore, models with negligible kicks for low-mass BHs increase the detection rate of GW190426_152155-like events to similar to 0.6 yr(-1), with an associated probability of EMC

As a common constituent of metamorphic assemblages, rutile provides constraints on the timing and conditions of rock transformation at high resolution. However, very little is known about the links between trace element mobility and rutile microstructures that result from synmetamorphic deformation. To address this issue, here we combine in situ LA-ICP-MS and sensitive high-resolution ion microprobe trace element data with electron back-scatter diffraction microstructural analyses to investigate the links between rutile lattice distortions and Zr and U–Pb systematics. Furthermore, we apply this integrated approach to constrain further the temperature and timing of amphibolite facies metamorphism and deformation in the Bergen Arcs of southwestern Norway. In outcrop, the formation of porphyroblastic rutile in dynamically hydrated leucocratic domains of otherwise rutile-poor statically hydrated amphibolite provides key contextual information on both the ambient conditions of hydration and deformation and the composition of the reactive fluid. Rutile in amphibolite recorded ambient metamorphic temperatures of ~590–730°C during static hydration of the granulitic precursor. By contrast, rutile from leucocratic domains in the directly adjacent shear zone indicates that deformation was accompanied by a localized increase in temperature. These higher temperatures are recorded in strain-free rutile (~600–860°C) and by Zr concentration measurements on low-angle boundaries and shear bands (620–820°C). In addition, we also observe slight depletions of Zr and U along rutile low-angle boundaries relative to strain-free areas in deformed grains from the shear zone. This indicates that crystal–plastic deformation facilitated the compositional re-equilibration of rutile upon cooling to slightly below the peak temperature of deformation. Cessation of deformation at mid-crustal conditions near ~600°C is recorded by late stage growth of small (<150 µm) rutile in the high-strain zones. U

Metamorphic differentiation, resulting in segregated mineral bands, is commonly recorded in metamorphic rocks. Despite the ubiquitous nature of compositionally layered metamorphic rocks, the processes that are responsible for metamorphic differentiation receive very little attention. Here, detailed petrography, quantitative mineral chemistry and bulk rock analyses are applied to investigate compositional variations and assemblage microstructure. Furthermore, thermodynamic modelling is applied to provide additional constraints on the P-T-XH2O conditions of assemblage formation and mass transfer. The studied outcrop, located within the Bergen arcs of southwestern Norway, preserves the hydration of anorthositic granulite at amphibolite-facies conditions. The amphibolite-facies hydration is expressed as both a statically hydrated amphibolite and a shear zone lithology, defined by the interlayering of amphibolite with leucocratic domains. Within the granulite, quartz-lined fractures surrounded by amphibolite-facies alteration haloes represent relics of initial fluid infiltration associated with brittle failure. The fracture assemblage (quartz + plagioclase + zoisite + kyanite ± muscovite ± biotite) is identical to that occurring within leucocratic domains of the shear zone. Consequently, the compositional layering of the shear zone lithology is linked to fluid infiltration along localized zones of high permeability that result from fracturing. Mass-balance calculations indicate that quartz-lined fractures and compositional differentiation of the shear zone resulted from mass redistribution internal to the shear zone rather than partial melting or precipitation of minerals from externally derived fluid. The process of internal fractionation within the shear zone is driven by enhanced dissolution along highly permeable fracture planes resulting in the loss of MgO, Fetot and K2O from the leucocratic domains. Elements dissolved in the fluid are then transported and ultimatel

A class of optical transients known as Luminous Red Novae (LRNe) have recently been associated with mass ejections from binary stars undergoing common-envelope evolution. We use the population synthesis code COMPAS to explore [he impact of a range of assumptions about the physics of common-envelope evolution on the properties of LRNe. In particular, we investigate the influence of various models for the energetics of LRNe on the expected event rate and light curve characteristics, and compare with the existing sample. We find that the Galactic rate of LRNe is 0.2 yr-1, in agreement with the observed rate. In our models, the luminosity function of Galactic LRNe covers multiple decades in luminosity and is dominated by signals from stellar mergers, consistent with observational constraints from iPTF and the Galactic sample of LRNe. We discuss how observations of the brightest LRNe may provide indirect evidence for the existence of massive (>40 Mo) red supergiants. Such LRNe could be markers along the evolutionary pathway leading to the formation of double compact objects. We make predictions for the population of LRNe observable in future transient surveys with the Large Synoptic Survey Telescope and the Zwicky Transient Facility. In all plausible circumstances, we predict a selection-limited observable population dominated by bright, long-duration events caused by common envelope ejections. We show that the Large Synoptic Survey Telescope will observe 20-750 LRNe per year, quickly constraining the luminosity iction of LRNe and probing the physics of common-envelope events.

A class of optical transients known as Luminous Red Novae (LRNe) have recently been associated with mass ejections from binary stars undergoing common-envelope evolution. We use the population synthesis code COMPAS to explore [he impact of a range of assumptions about the physics of common-envelope evolution on the properties of LRNe. In particular, we investigate the influence of various models for the energetics of LRNe on the expected event rate and light curve characteristics, and compare with the existing sample. We find that the Galactic rate of LRNe is 0.2 yr-1, in agreement with the observed rate. In our models, the luminosity function of Galactic LRNe covers multiple decades in luminosity and is dominated by signals from stellar mergers, consistent with observational constraints from iPTF and the Galactic sample of LRNe. We discuss how observations of the brightest LRNe may provide indirect evidence for the existence of massive (>40 Mo) red supergiants. Such LRNe could be markers along the evolutionary pathway leading to the formation of double compact objects. We make predictions for the population of LRNe observable in future transient surveys with the Large Synoptic Survey Telescope and the Zwicky Transient Facility. In all plausible circumstances, we predict a selection-limited observable population dominated by bright, long-duration events caused by common envelope ejections. We show that the Large Synoptic Survey Telescope will observe 20-750 LRNe per year, quickly constraining the luminosity iction of LRNe and probing the physics of common-envelope events.

A new mathematical model is presented for the supercritical fluid extraction of lanoline from wool using near-critical ethanol-modified CO2, using our previous experimental data. The model is intended to account for the extraction of lanoline at conditions well above its melting point (60–80 °C) and pressures up to 150 bar. The model parameters are a Henry-type fluid-to-liquid partition coefficient for lanoline, K = Cg/CL, and a fluid-side mass-transfer coefficient, kG. For Re ~1, K is independent of velocity and wool packing density, but increases with pressure (K = 4 - 15 × 10-4). kG is found to be independent of temperature; it increases with velocity, decreases with pressure, and increases with wool packing density. The values found are kG = 5.66 × 10-6 m/s (70 bar) and kG = 1.51 × 10-6 m/s (150 bar), Postprint (published version)

A simple kinetic model for the standard NH3-SCR reaction by Cu-ZSM-5 catalysts has been developed by assuming three reaction steps: NH3 adsorption (desorption), reactions of adsorbed NH3 with O2 (NH3 oxidation) and NO (NH3-SCR). The model is based on Arrhenius parameters for NH3-SCR and NH3 oxidation by a powder catalyst, combined with models for heat and mass transport and parameters of monolithic catalysts. The model is validated with the experimental results, not included in the estimation of the model, for NH3-SCR by monolithic catalysts with different parameters (catalyst loading and cell density). NOx removal from diesel exhaust, generated by engine bench, was also carried out by using monolithic Cu-ZSM-5 and Cu-AFX catalysts. The results suggest the poisoning effect of hydrocarbons in the exhaust emissions on NOx conversion is more significant for Cu-ZSM-5 than Cu-AFX.

A simple kinetic model for the standard NH3-SCR reaction by Cu-ZSM-5 catalysts has been developed by assuming three reaction steps: NH3 adsorption (desorption), reactions of adsorbed NH3 with O2 (NH3 oxidation) and NO (NH3-SCR). The model is based on Arrhenius parameters for NH3-SCR and NH3 oxidation by a powder catalyst, combined with models for heat and mass transport and parameters of monolithic catalysts. The model is validated with the experimental results, not included in the estimation of the model, for NH3-SCR by monolithic catalysts with different parameters (catalyst loading and cell density). NOx removal from diesel exhaust, generated by engine bench, was also carried out by using monolithic Cu-ZSM-5 and Cu-AFX catalysts. The results suggest the poisoning effect of hydrocarbons in the exhaust emissions on NOx conversion is more significant for Cu-ZSM-5 than Cu-AFX.

This communication demonstrates the relevance of membrane sealing in a test cell to its performance. Membranes need to be sealed, and therefore a more or less significant (depending on the test cell design) peripheral part of the membrane is supported directly by the cell body (instead of a permeate spacer). Although it may seem that there should be no filtration through the membrane when it is supported by an impermeable surface, this communication demonstrates that this is not generally true due to filtration along the membrane porous support. To confirm this, experiments were performed with a cross-flow test cell (GE SEPA™ CF II), blocking the membrane hydraulically from beneath in order to simulate the effect of having the membrane supported by an impermeable surface. The results show that the trans-membrane volume flux obtained in all cases is only slightly affected by the membrane blocking. In view of this, in the cell design, care should be taken to reduce such peripheral parts of the membrane to a minimum because it may be technically very difficult to have there the same conditions of concentration polarization as over the membrane part supported by the permeate spacer, Peer Reviewed, Postprint (published version)

This study deals with the modeling of the extraction of solid lanoline from raw wool under near-critical conditions using 5% ethanol in CO2, using our previous experimental data. A mass-transfer model is developed to explain the extraction results at T¿=¿30¿°C, below the melting point of lanoline (36–42¿°C). Two variables are studied, the extraction pressure and the solvent mass flowrate. Our model depends on three parameters: the solubilities of the two lanoline fractions and the lanoline mass transfer coefficient. The model is a set of first-order partial differential equations, that is solved by orthogonal collocation in combination of optimization of the parameters. The fluid-side mass-transfer coefficient decreases with extraction pressure and is about 5¿×¿10-6 m/s for Re < 1 (at 70–150¿bar) and depends on fluid velocity. The solubilities of lanoline fractions, independent of flowrate, agree very well with those previously reported, Postprint (published version)

CFD simulations of dispersed bubbly flow on the scale of technical equipment are feasible within the Eulerian two-fluid framework of interpenetrating continua. However, accurate numerical predictions rely on suitable closure models. To achieve predictive capability, all details of the closure models have to be fixed in advance without reference to any measured data. Concerning the fluid dynamics of bubbly flows a baseline model has recently been proposed to this end and shown to work for a range of different applications in a unified manner1,2. This provides a reliable background which is well suited to add more complex physics. Concerning mass transfer in bubbly flows only few studies have been performed to date3. For the mass transfer coefficient, a variety of entirely different closures have been applied in rather similar situations. To facilitate predictive applications, a standard model which is validated for a broad range of conditions yet has to be developed. The present contribution considers two test cases from the literature, where mass transfer takes place during the absorption of oxygen into water. The first case is a bubbly mixing layer4, the second is concerned with co-current bubble column flow5. The above mentioned baseline model is used for the fluid dynamical part of the simulation model. Two different correlations for the mass transfer coefficient are considered6, which had been used in previous work. Sources of uncertainty in both, models and data, are discussed. Taking into account possible measurement errors, reasonable agreement between simulations and measurements is found for the present situations. Needs for further experimental data to facilitate qualification of a generally applicable model are specified.

CFD simulations of dispersed bubbly flow on the scale of technical equipment are feasible within the Eulerian two-fluid framework of interpenetrating continua. However, accurate numerical predictions rely on suitable closure models. To achieve predictive capability, all details of the closure models have to be fixed in advance without reference to any measured data. Concerning the fluid dynamics of bubbly flows a baseline model has recently been proposed to this end and shown to work for a range of different applications in a unified manner1,2. This provides a reliable background which is well suited to add more complex physics. Concerning mass transfer in bubbly flows only few studies have been performed to date3. For the mass transfer coefficient, a variety of entirely different closures have been applied in rather similar situations. To facilitate predictive applications, a standard model which is validated for a broad range of conditions yet has to be developed. The present contribution considers two test cases from the literature, where mass transfer takes place during the absorption of oxygen into water. The first case is a bubbly mixing layer4, the second is concerned with co-current bubble column flow5. The above mentioned baseline model is used for the fluid dynamical part of the simulation model. Two different correlations for the mass transfer coefficient are considered6, which had been used in previous work. Sources of uncertainty in both, models and data, are discussed. Taking into account possible measurement errors, reasonable agreement between simulations and measurements is found for the present situations. Needs for further experimental data to facilitate qualification of a generally applicable model are specified.

Models proposed to describe the liquid side mass transfer coefficient in absorption prosesses differ widely in such basic questions as on which of the local flow variables they are based. Comparison of different alternatives with experimental data taken from the literature suggests that there are two basic mechanisms, a laminar and a turbulent one, each of which dominates under suitable conditions. A dimensionless number that allows to identify the corresponding regimes is suggested together with a preliminary model encompassing both. New experiments will be needed to come to a final conclusion.

Models proposed to describe the liquid side mass transfer coefficient in absorption prosesses differ widely in such basic questions as on which of the local flow variables they are based. Comparison of different alternatives with experimental data taken from the literature suggests that there are two basic mechanisms, a laminar and a turbulent one, each of which dominates under suitable conditions. A dimensionless number that allows to identify the corresponding regimes is suggested together with a preliminary model encompassing both. New experiments will be needed to come to a final conclusion.

For practical applications the Euler-Euler two-fluid model relies on suitable closure relations describing interfacial exchange processes. Concerning pure fluid dynamics of dispersed gas-liquid multiphase flow, an ongoing effort has led to a validated set of closures that is applicable under a rather broad range of conditions. Similar results for the technologically even more important field of mass transfer remain to be achieved. Progress so far has been hampered by a lack of local data including measurements of concentration which are suitable for CFD model validation. In addition, correlations proposed to describe the mass transfer coefficient differ widely. Here, a preliminary study of axial concentration profiles in a bubble column is given based on the available experimental data found in the literature. For this purpose simplified assumption of a constant mass transfer coefficient throughout the column is made and experimentally determined values are used. New measurements will be needed to come to a final conclusion.

CFD simulations of dispersed bubbly flow on the scale of technical equipment are feasible within the Eulerian two-fluid framework of interpenetrating continua. However, accurate numerical predictions rely on suitable closure models. Concerning the fluid dynamics of bubbly flows a certain degree of predictive capability has been reached recently. However, concerning mass transfer only few studies have been performed to date. The present contribution gives an overview over the available results on closure relations for physical absorption/desorption, i.e. mass transfer without chemical reactions. Unsolved issues are highlighted, in particular on which parameters a suitable correlation for the mass transfer coefficient should be based. In addition, a preliminary study on model validation is presented which makes use of experimentally determined mass transfer coefficients. The need for and requirements on suitable data for this purpose are emphasized.

CFD simulations of dispersed bubbly flow on the scale of technical equipment are feasible within the Eulerian two-fluid framework of interpenetrating continua. However, accurate numerical predictions rely on suitable closure models. To achieve predictive capability all details of the closure models have to be fixed in advance without reference to any measured data. Concerning the fluid dynamics of bubbly flows a baseline model has recently been proposed to this end and is shown to work for a range of different applications in a unified manner. This provides a reliable background which is well suited to add more complex physics. The content of the present contribution is such an extension to include also mass-transfer from / to the bubbles to the surrounding liquid. Shrinking / growth of the bubbles is taken into account within the inhomogeneous MUSIG model. A preliminary validation is provided using constant values for the mass transfer coefficient and the bubble size, but comparison is made with a set of experimental data providing axially resolved measurements. This contrasts previous works where comparison has been made only with integral data. A verification of the implementation is provided for the case with shrinking bubbles. The need for and requirements on suitable data for validation of a more refined model is emphasized.

CFD simulations of dispersed bubbly flow on the scale of technical equipment are feasible within the Eulerian two-fluid framework of interpenetrating continua. However, accurate numerical predictions rely on suitable closure models. Concerning the fluid dynamics of bubbly flows a certain degree of predictive capability has been reached recently. However, concerning mass transfer only few studies have been performed to date. The present contribution gives an overview over the available results on closure relations for physical absorption/desorption, i.e. mass transfer without chemical reactions. Unsolved issues are highlighted, in particular on which parameters a suitable correlation for the mass transfer coefficient should be based. In addition, a preliminary study on model validation is presented which makes use of experimentally determined mass transfer coefficients. The need for and requirements on suitable data for this purpose are emphasized.

Groundwater is becoming an increasingly important drinking water source. However, the use of groundwater for potable purposes can lead to chronic human exposure to geogenic contaminants, for example, uranium. Nanofiltration (NF) and reverse osmosis (RO) processes are used for drinking water purification, and it is important to understand how contaminants interact with membranes since accumulation of contaminants to the membrane surface can lead to fouling, performance decline and possible breakthrough of contaminants. During the current study laboratory experiments were conducted using NF (TFC-SR2) and RO (BW30) membranes to establish the behavior of uranium across pH (3-10) and pressure (5-15 bar) ranges. The results showed that important determinants of uranium membrane sorption interactions were (1) the uranium speciation (uranium species valence and size in relation to membrane surface charge and pore size) and (ii) concentration polarization, depending on the pH values. The results show that it is important to monitor sorption of uranium to membranes, which is controlled by pH and concentration polarization, and, if necessary, adjust those parameters controlling uranium sorption., QC 20160715

CFD simulations of dispersed bubbly flow on the scale of technical equipment are feasible within the Eulerian two-fluid framework of interpenetrating continua. However, accurate numerical predictions rely on suitable closure models. Concerning the fluid dynamics of bubbly flows a certain degree of predictive capability has been reached recently. However, concerning mass transfer only few studies have been performed to date. The present contribution gives an overview over the available results on closure relations for physical absorption/desorption, i.e. mass transfer without chemical reactions. Unsolved issues are highlighted, in particular on which parameters a suitable correlation for the mass transfer coefficient should be based. In addition, a preliminary study on model validation is presented which makes use of experimentally determined mass transfer coefficients. The need for and requirements on suitable data for this purpose are emphasized.

CFD simulations of dispersed bubbly flow on the scale of technical equipment are feasible within the Eulerian two-fluid framework of interpenetrating continua. However, accurate numerical predictions rely on suitable closure models. Concerning the fluid dynamics of bubbly flows a certain degree of predictive capability has been reached recently. However, concerning mass transfer only few studies have been performed to date. The present contribution gives an overview over the available results on closure relations for physical absorption/desorption, i.e. mass transfer without chemical reactions. Unsolved issues are highlighted, in particular on which parameters a suitable correlation for the mass transfer coefficient should be based. In addition, a preliminary study on model validation is presented which makes use of experimentally determined mass transfer coefficients. The need for and requirements on suitable data for this purpose are emphasized.

The article presents a few recent developments advanced by the authors in a few key areas of stochastic modeling of solute transport in heterogeneous aquifers. First, a brief review of the Lagrangian approach to modeling plumes longitudinal mass distribution and temporal (the breakthrough curve) mass arrival, is presented. Subsequently, transport in highly heterogeneous aquifers is analyzed by using a recently developed predictive model. It relates the non-Gaussian BTC to the permeability univariate pdf and integral scale, with application to the MADE field observations. Next, the approach is extended to transport of reactive solute, combinnig the effects of the random velocity field and multirate mass transfer on the BTC, with application to mass attenuation. The following topic is modeling of the local concentration field as affected by mixing and dilution due to pore scale dispersion. The results are applied to the analysis of concentration measurements at the Cape Cod field experiment. The last section incorporates the results of the preceding ones in health risk assessment by analyzing the impact of concentration prediction on risk uncertainty. It is illustrated by assessing the effect of identification of macrodispersivity from field characterization and transport modeling, upon the probability of health risk., QC 20151117

The analysis of breakthrough curves (BTCs) is of interest in hydrogeology as a way to parameterize and explain processes related to anomalous transport. Classical BTCs assume the presence of a single peak in the curve, where the location and size of the peak and the slope of the receding limb has been of particular interest. As more information is incorporated into BTCs (for example, with high-frequency data collection, supercomputing efforts), it is likely that classical definitions of BTC shapes will no longer be adequate descriptors for contaminant transport problems. We contend that individual BTCs may display multiple local peaks depending on the hydrogeologic conditions and the solute travel distance. In such cases, classical definitions should be reconsidered. In this work, the presence of local peaks in BTCs is quantified from high-resolution numerical simulations in synthetic fields with a particle tracking technique and a kernel density estimator to avoid either overly jagged or smoothed curves that could mask the results. Individual BTCs from three-dimensional heterogeneous hydraulic conductivity fields with varying combinations of statistical anisotropy, heterogeneity models, and local dispersivity are assessed as a function of travel distance. The number of local peaks, their corresponding slopes, and a transport connectivity index are shown to strongly depend on statistical anisotropy and travel distance. Results show that the choice of heterogeneity model also affects the frequency of local peaks, but the slope is less sensitive to model selection. We also discuss how solute shearing and rerouting can be determined from local peak quantification., Peer Reviewed, Postprint (published version)

It is a focus to reduce the energy consumption and operating cost of CO2 capture from low-pressure flue gas streams of power plants using an aqueous amine-based absorbent. In this study, CO2 capture experiments were conducted in an absorption-desorption loop system using amine-based absorbents. The gas mixture containing CO2, O-2, SO2, and N-2 in the composition range of flue gas from coal-fired power plant after flue gas desulfurization was selected as the feed gas. For an aqueous amine solution, the largest contribution to monoethanolamine (MEA) loss was made by evaporation during desorption, followed by the formation of sulfate and heat-stable salts. To reduce MBA loss and meanwhile decrease the energy consumption during CO2 desorption, an aqueous amine solution mixed with ionic liquid (30 wt % MBA + 40 wt % [bmim][BF4] + 30 wt % H2O) was proposed. The energy consumption of the mixed ionic liquid solution for absorbent regeneration was 37.2% lower than that of aqueous MEA solution. The MEA loss per ton of captured CO2 for the mixed solution was 1.16 kg, which is much lower than that of 3.55 kg for the aqueous amine solution. No ionic liquid loss was detected. In addition, the mixed ionic liquid solution showed a low viscosity of 3.54 mPa s at 323 K, indicating that the ionic liquid disadvantage of high viscosity can be overcome for absorbent delivery of CO2 capture., QC 20140331

A Lagrangian framework for material transport along hydrological pathways is presented and consequences of statistically stationary space-time flow velocity variations on advective transport are investigated. The two specific questions addressed in this work are: How do temporal fluctuations affect forward and backward water travel time distributions when combined with spatial variability? and Can mass transfer processes be quantified using conditional probabilities in spatially and temporally variable flow? Space-time trajectories are studied for generic conditions of flow, with fully ergodic or only spatially ergodic velocity. It is shown that forward and backward distributions of advective water travel time coincide for statistically stationary space-time variations. Temporal variability alters the statistical structure of the Lagrangian velocity fluctuations. Once this is accounted for, integration of the memory function with the travel time distribution is applicable for quantifying retention. Further work is needed to better understand the statistical structure of space-time velocity variability in hydrological transport, as well as its impact on tracer retention and attenuation., QC 20230630

The aim of the paper is to gain a better insight into heat and moisture transfer in refrigerator and to do fundamental study for water evaporation and condensation in refrigeration application. The governing transport equations (continuity, momentum, energy and concentration equations) in 3D Cartesian coordinates are firstly introduced. As the mixed convection is simulated in the paper, buoyancy forces caused by both temperature and concentration gradient are considered and are also included in momentum equation. Numerical results are carried out by using Termofluids code. The pressure-velocity linkage is solved by means of an explicit finite volume fractional step procedure. In order to validate the code, a humid air flowing in a horizontal 3D rectangular duct case is carried out and compared with the published numerical and experimental results. The contour of temperature and vapor density of air at a cross section is provided and analyzed. Finally, the heat and mass transfer process during the moist air flow through complicated geometry is simulated and temperature and humidity distributions are obtained., Peer Reviewed, Postprint (published version)

Purpose With the predicted climate change, it is expected that the chances of river flooding increase. During flood events, sediments will resuspend and when sediments are polluted, contaminants can be transferred to the surrounding water. In this paper we discuss a numerical intraparticle diffusion model that simulates desorption of dieldrin from a suspension of contaminated porous sediment particles with a well-characterized particle size distribution. The objective of this study was to understand the desorption rate (flux) of dieldrin from a suspension of field-aged sediment at different hydraulic retention times (HRT) of the aqueous phase and to elaborate the effect of particle-size distribution on mass transfer. Materials and methods Desorption kinetics of dieldrin, a persistent organic pollutant (POP), were experimentally measured and described in a separate paper using field-contaminated sediment. A radial diffusion model, accommodating intraparticle reversible sorption kinetics, aqueous phase pore diffusion, and a sink term for bulk aqueous phase refreshment was used to describe the experimental data. Results and discussion We observed rapid equilibrium of contaminants between small particles (10 µm) and the surrounding water even though the sorption affinity of dieldrin towards organic matter was high. On the contrary, for the larger particles (84 µm), calculations show that desorption was limited by intraparticle diffusion. Combining small and larger particles in our radial diffusion model resulted in the biphasic desorption behavior often observed even when using a linear isotherm. Conclusions Flood events will result in an increase of desorption rate of POPs from sediments to the surrounding water. HRT and the particle-size distribution determine the desorption rate. We conclude that nonstationary diffusion within organic matter is the main process of mass transfer. Particle size distributions are very valuable to understand the phenomenology related to

Technology to precisely control Mg content has been developed to improve hot-workability of NW2201 Ni alloy. Relatively high standard deviation of Mg contents, 0.007, out of average Mg content of 0.02 mass% was problem among heats. This brought poor hot-workability leading to sliver-like surface defects on the strip when Mg content was relatively high or low. Laboratory-scale experiments were performed to understand the behavior of Mg in terms of equilibrium and mass-transfer of the slag/metal reaction of 3(MgO)+2Al=(Al2O3)+3Mg. Experiments were firstly carried out to understand Mg content in molten Ni equilibrated with CaO-Al2O3-MgO-CaF, system slags. It was found that Mg content in liquid Ni depended on Al content and C/A (CaO/Al2O3 ratio in mass%) in the slag. The measured Mg contents mostly agreed with thermodynamic calculation. Further, kinetic analysis was also undertaken experimentally by approaching from both higher and lower Mg contents to the equilibrium Mg content. As a result, mass-transfer of Mg in molten Ni is considered as the rate-determining step for the above reaction. By applying the countermeasures, introduced from the view points of both equilibrium and kinetics, for practice, the standard deviation of Mg content was improved from 0.007 to 0.003 among heats. Consequently, the defects have been improved successfully., QC 20101222

In situ methane enrichment in anaerobic digestion of sewage sludge has been investigated by experiments and by modelling. Sludge from a full scale digester was fed to a pilot scale bubble column having 0.3 m diameter for preferential desorption of carbon dioxide. In this second part, a model describing the steady-state performance of the bubble column for desorption of carbon dioxide and methane has been developed. The column is assumed to operate in the homogeneous flow regime, and with respect to carbon dioxide and methane both phases are described by the axial dispersion model.. The model treats the chemical reaction equilibrium between carbon dioxide and bicarbonate as being slow and the bicarbonate concentration as being constant. The model is correlated to previously reported experimental, results to determine the liquid side mass transfer coefficient in each experiment. A simple power law model is used to correlate, the mass transfer coefficient to the gas flow rate. In general, the model allows for a reasonable qualitative description of the behaviour of the bubble column performance but the quantitative agreement with experimental results is not satisfactory. It is believed, though that the main. problem is actually not in the model but is related to experimental uncertainties concerning inlet concerttrations of liquid phase methane and bicarbonate.., QC 20100525

[1] Transport and retention of sorbing tracers in a single, altered crystalline rock fracture on a 5 m scale is investigated. We evaluate the results of a comprehensive field study ( referred to as Tracer Retention Understanding Experiments, first phase ( TRUE- 1)), at a 400 m depth of the Aspo Hard Rock Laboratory ( Sweden). A total of 16 breakthrough curves are analyzed, from three test configurations using six radioactive tracers with a broad range of sorption properties. A transport- retention model is proposed, and its applicability is assessed based on available data. We find that the conventional model with an asymptotic power law slope of - 3/ 2 ( one- dimensional diffusion into an unlimited rock matrix) is a reasonable approximation for the conditions of the TRUE- 1 tests. Retention in the altered rock of the rim zone appears to be significantly stronger than implied by retention properties inferred from generic ( unaltered) rock samples. The effective physical parameters which control retention ( matrix porosity and retention aperture) are comparable for all three test configurations. The most plausible in situ ( rim zone) porosity is in the range 1% - 2%, which constrains the effective retention aperture to the range 0.2 - 0.7 mm. For all sorbing tracers the estimated in situ sorption coefficient appears to be larger by at least a factor of 10, compared to the value inferred from through- diffusion tests using unaltered rock samples., QC 20100525

The inclusion characteristics were studied during vacuum degassing by interrupting the operation at five different times after the start of operation. Slag and steel samples were collected and thereafter assessed with respect to steel and slag composition, total oxygen content, size distribution of inclusions and chemical composition of inclusions. The main conclusion is that the number of inclusions in the different size classes as well as the total oxygen content seem to reach a minimum value after around ten minutes of vacuum degassing. Furthermore, it seems to be a consistent trend that, during vacuum degassing, the top slag influences the inclusion composition., QC 20100525

Liquid-side-controlled drying by convection of a multicomponent liquid film is studied. Interactive diffusion in liquid phase is considered the main mechanism for mass transfer. Assuming an isothermal drying process and a constant matrix of multicomponent diffusion coefficients, an analytical solution of the diffusion equation is developed. The equations are decoupled by a similarity transformation and solved by the method of variable separation. The solution is applied to the drying of ternary mixtures, one of them containing a component of negligible volatility. The variation of diffusion coefficients along the process trajectory was taken into account by a piecewise application of the solution in time intervals with averaged coefficients from previous time steps. Despite the simplifications made, the analytical solution gives a god insight into the selectivity of the drying process and is computationally fast. The limitations of the analytical solution and the prospect of applying the solution to the description of a nonisothermal process are discussed. It would introduce an important computational economy since the rigorous treatment of multicomponent drying leads to partial differential equations with variable coefficients, which can only be solved by time-consuming iterative procedures., QC 20100525 QC 20111017

The facilitated transport of Pd(II) from chloride media has been investigated through a hollow-fiber supported liquid membrane using nonylthiourea (NTH) as a carrier. The influence of the chemical conditions on the permeability of Pd(II) is reported. A model is presented that describes the transport mechanism, consisting of diffusion through a feed aqueous diffusion layer, a fast interfacial chemical reaction, and diffusion of carrier and its metal complex through the organic membrane. The diffusion resistances through organic membrane (Delta(org)) and through aqueous layer (Delta(aq)), respectively, have been calculated from the proposed model. The permeability of Pd(II) seems to be governed by the diffusion of Pd(II) species through the hollow fiber supported liquid membrane with PdCl2(NTH)(2) as a predominant carrier and PdCl2(NTH)to a lesser extent, though both have similar diffusion coefficients., QC 20100525 QC 20110922

A measurement system for current distribution mapping for a PEFC has been developed. The segmented anode is constructed so as to have high thermal conductivity in order to prevent the formation of large temperature gradients between the electrodes. The construction is therefore feasible for use at high current densities. Both segmented and unsegmented gas diffusion layers are used. The effect of inlet humidification and gas composition at the cathode side is studied. In addition, two different flow geometries are studied. The results show that the measurement system is able to distinguish between current distribution originating from differences in proton conductivity, species concentration and gas diffusion layer properties., QC 20100525 QC 20111101

This paper analyzes the transport of sorbing solutes by extending the advective storage path model developed for longitudinal transport of inert solutes in streams coupled with flow-induced uptake in the hyporheic zone. Independent observations of a conservative (H-3) and a reactive (Cr-51) tracer in both the stream water and the hyporheic zone were used to differentiate between hydraulic and sorption processes. The method of temporal moments was found to be inadequate for parameter determination, whereas fitting versus the entire tracer breakthrough curves with special emphasis on the tail indicates that the proposed model could be used to represent both conservative and reactive transport. Information on the tracer inventory of the conservative tracer in the hyporheic zone was found to be of vital importance to the evaluation of the hydraulic exchange. A model evaluation based on stream water data alone can yield predictions of a wash-out in the hyporheic zone that deviates markedly from the observed wash-out. This prohibits long-term predictions of the wash-out from the hyporheic zone as well as the evaluation of sorption properties. The sorption in the hyporheic zone was found to follow a two-step model, where the first step is instantaneous and the second kinetic. A model with a single-step sorption process could not reproduce the observed breakthrough curves. An evaluation of the relative importance of including sorption kinetics in solute stream transport models is elucidated by means of the analytical expressions for the temporal moments. The omission of the kinetics in the second sorption step in the hyporheic zone will result in relative errors in the moments of second order or higher. The error will increase with decreasing residence time in the hyporheic zone. Especially, long-term predictions of the wash-out from the hyporheic zone require consideration of the rate-limited sorption., QC 20100525

A transient storage model is evaluated using results from a tracer experiment, where a conservative and a reactive tracer (H-3 and Cr-51(III)) were injected simultaneously and monitored in stream water and bed sediment. About 76% of the chromium was lost from the stream water on the reach 30 km downstream of the injection point directly after the passage of the pulse in the flowing water. The bed sediment hosted the main part of the retained chromium. The time to washout 75% of the maximum solute uptake in the sediment was similar to 85 times longer for chromium than for tritium (i.e. similar to 45 days). It was possible to describe the sediment-water exchange with a diffusive flux formulation that could be evaluated using tritium breakthrough curves in the stream water or the tritium inventory breakthrough curves in the sediment. This experiment revealed further that observations of chromium concentrations in the sediment were essential for the quantifying of sorption properties, as it was not possible to catch accurately the time scale of sorption within the duration of the breakthrough curves in the stream water. There was a clear need for a rate-limited description of the sorption of chromium in the sediment. We found that a first-order kinetic description of the sorption process could acceptably describe the breakthrough curves in both the stream water and the bed sediment., QC 20100525

The diffusive properties of anaerobic methanogenic and sulfidogenic aggregates present in wastewater treatment bioreactors were studied using diffusion analysis by relaxation time-separated pulsed-field gradient nuclear magnetic resonance (NMR) spectroscopy and NMR imaging. NMR spectroscopy measurements were performed at 22degreesC with 10 ml of granular sludge at a magnetic field strength of 0.5 T (20 MHz resonance frequency for protons). Self-diffusion coefficients of H2O in the investigated series of mesophilic aggregates were found to be 51 to 78% lower than the self-diffusion coefficient of free water. Interestingly, self-diffusion coefficients of H2O were independent of the aggregate size for the size fractions investigated. Diffusional transport occurred faster in aggregates growing under nutrient-rich conditions (e.g., the bottom of a reactor) or at high (55degreesC) temperatures than in aggregates cultivated in nutrient-poor conditions or at low (10degreesC) temperatures. Exposure of aggregates to 2.5% glutaraldehyde or heat (70 or 90degreesC for 30 min) modified the diffusional transport up to 20%. In contrast, deactivation of aggregates by HgCl2 did not affect the H2O self-diffusion coefficient in aggregates. Analysis of NMR images of a single aggregate shows that methanogenic aggregates possess a spin-spin relaxation time and self-diffusion coefficient distribution, which are due to both physical (porosity) and chemical (metal sulfide precipitates) factors.

To obtain reliable estimates for the loss of polycyclic aromatic hydrocarbons (PAHs) from contaminated soils, one has to distinguish between (i) losses due to release and solute transport and (ii) losses resulting from degradation. We studied the interplay of these processes in a column experiment representing a typical soil contamination scenario: in the upper part of the column was a contaminated layer, spiked with 9-13C-labelled anthracene, and beneath it uncontaminated pristine soil. The experimental course comprised a steady-state flow phase (constant irrigation for 4 months) followed by several periods during which flow was halted. The effects of varied residence time on anthracene biodegradation and on anthracene mass transfer were investigated. We monitored labelled anthracene and its transformation products, dissolved organic carbon, electric conductivity (EC), pH, and inorganic carbonate content in the column effluent, and the CO2 evolved. Under steady-state flow, pH, dissolved organic C, and EC approached steady states after 350 pore volumes. Concentrations of anthracene in the effluent, however, increased continuously and levelled off after 800 pore volumes. This marked retardation reflects the great affinity of anthracene to soil organic matter. The response to interruptions in the flow revealed that mass is transferred without equilibrium between solid and liquid phase for both anthracene and dissolved organic C. Thus, residence time is one factor controlling the concentration of anthracene in the effluent and therefore the export of contaminant to the aquifer. In the course of the experiment several labelled anthracene degradation products appeared in the effluent. At least three of them were identified as transformation products showing a dramatic increase in mobility relative to the parent compound. A third of the overall anthracene loss from the column was due to solute transport, and biodegradation was responsible for the remaining two th