Search

The paper investigates two-dimensional, steady, nonlinear laminar boundary layer heat and mass transfer MHD flow past a stretching porous surface embedded in a porous medium under the action of internal heat generation with the consideration of viscous and joules heat dissipation in the presence of a transverse magnetic field. The two-dimensional governing equations are solved by using MATLAB built in bvp4c solver technique for different values of physical parameters. The numerical values of various flow parameters such as velocity, temperature, concentration are calculated numerically and analysed graphically for various values of the non-dimensional physical parameters of the problem followed by conclusions. The study concludes opposite behaviour of transverse and longitudinal velocity under the action of suction velocity in addition to the effects of heat source on fluid velocities, temperature and concentration.

Copyright of Chemical Industry / Hemijska Industrija is the property of Association of Chemical Engineers and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

The paper investigates two-dimensional, steady, nonlinear laminar boundary layer heat and mass transfer MHD flow past a stretching porous surface embedded in a porous medium under the action of internal heat generation with the consideration of viscous and joules heat dissipation in the presence of a transverse magnetic field. The two-dimensional governing equations are solved by using MATLAB built in bvp4c solver technique for different values of physical parameters. The numerical values of various flow parameters such as velocity, temperature, concentration are calculated numerically and analysed graphically for various values of the non-dimensional physical parameters of the problem followed by conclusions. The study concludes opposite behaviour of transverse and longitudinal velocity under the action of suction velocity in addition to the effects of heat source on fluid velocities, temperature and concentration. [ABSTRACT FROM AUTHOR]

The performance of receptor-based biosensors is often limited by either diffusion of the analyte causing unreasonable long assay times or a lack of specificity limiting the sensitivity due to the noise of nonspecific binding. Alternating current (AC) electrokinetics and its effect on biosensing is an increasing field of research dedicated to address this issue and can improve mass transfer of the analyte by electrothermal effects, electroosmosis, or dielectrophoresis (DEP). Accordingly, several works have shown improved sensitivity and lowered assay times by order of magnitude thanks to the improved mass transfer with these techniques. To realize high sensitivity in real samples with realistic sample matrix avoiding nonspecific binding is critical and the improved mass transfer should ideally be specific to the target analyte. In this paper we cover recent approaches to combine biosensors with DEP, which is the AC kinetic approach with the highest selectivity. We conclude that while associated with many challenges, for several applications the approach could be beneficial, especially if more work is dedicated to minimizing nonspecific bindings, for which DEP offers interesting perspectives. [ABSTRACT FROM AUTHOR]

Evaporation from free water surface is considered a very important constituent in both the energy and hydrologic cycles. Precise measurement of evaporation from the free water surface is almost impossible. This is why we need a calculation model for free water evaporation. In this study, a simple mass-transfer evaporation model was developed to be applicable over Lake Nasser in the hyper-arid region located in the south of Egypt. Measured meteorological data (2011–2014) at two stations, Aswan and Abu-Simbel, were used to calculate free water surface evaporation using Priestly–Taylor equation. Priestly–Taylor equation was used because it is the most appropriate equation for Lake Nasser evaporation according to the literature. Results from this model were used to develop a simple mass-transfer evaporation model. The statistical analysis for both calibration and validation periods were very good. The slope of the regression line is about 0.9, with a coefficient of determination of 0.98. The t value is 0.6, at p value of 0.544, which is much greater than 0.05. The developed model could be used with confidence at Aswan meteorological station or on the average of the two meteorological stations, while it should be used carefully on Abu-Simbel meteorological station.

In this work, the process of adhesive stamp mass-transfer of micro light-emitting diode (micro-LED) is optimized by a Support Vector Machine (SVM) model. The pick-up experiments have been performed repeatedly for hundreds of times from which the separation speed and the force between the stamp and the donor substrate are extracted as signal features. The SVM model with a Gaussian kernel function is designed to classify pick-up results into success and failure. In addition, the optimal cost parameter C as well as the Gaussian kernel function parameter gamma (γ) has been optimized, leading to the improvement of the classification by Particle Swarm Optimization (PSO) algorithm. Finally, an 85% classification accuracy is achieved based on the SVM model, implying that more sophisticated definition of signal features is demanded in future work.

The performance of receptor-based biosensors is often limited by either diffusion of the analyte causing unreasonable long assay times or a lack of specificity limiting the sensitivity due to the noise of nonspecific binding. Alternating current (AC) electrokinetics and its effect on biosensing is an increasing field of research dedicated to address this issue and can improve mass transfer of the analyte by electrothermal effects, electroosmosis, or dielectrophoresis (DEP). Accordingly, several works have shown improved sensitivity and lowered assay times by order of magnitude thanks to the improved mass transfer with these techniques. To realize high sensitivity in real samples with realistic sample matrix avoiding nonspecific binding is critical and the improved mass transfer should ideally be specific to the target analyte. In this paper we cover recent approaches to combine biosensors with DEP, which is the AC kinetic approach with the highest selectivity. We conclude that while associated with many challenges, for several applications the approach could be beneficial, especially if more work is dedicated to minimizing nonspecific bindings, for which DEP offers interesting perspectives.

The superior electrocatalytic hydrodechlorination (EHDC) performance on Pd/U-TiO 2 catalyst is attributed to the electron-rich Pd regulated by urchin-like yolk/shell TiO 2 support, enhanced adsorption and activation of 2,4-dichlorophenol, faster mass diffusion behavior and high current efficiency toward EHDC. [Display omitted] • Pd supported on urchin-like yolk/mesoporous shell TiO 2 (Pd/U-TiO 2) is prepared. • Pd/U-TiO 2 affords high efficiency and durability in EHDC of 2,4-DCP. • Pd/U-TiO 2 affords a higher H* utilization efficiency of 48.6 % than single Pd. • U-TiO 2 support boosts the mass diffusion of 2,4-DCP around Pd nanoparticles. • The pollutant adsorption and activation are enhanced on U-TiO 2 -supported Pd. Improving the utilization of hydrogen radicals (H*) is of great significance for effective Pd-mediated electrocatalytic hydrodechlorination (EHDC) in detoxifying chlorinated organic pollutants (COPs). However, the limited H* utilization by single Pd arises from its inadequate performance in adsorbing/activating COPs and inferior mass transfer of low-concentration COPs. In this study, an urchin-like yolk/shell TiO 2 spheres with mesoporous structure are developed for supporting Pd nanoparticles (Pd/U-TiO 2), which exhibits superior EHDC activity and selectivity for 2,4-DCP reduction. Notably, the prepared Pd/U-TiO 2 catalyst achieves a mass activity of 4.2 min−1 g Pd -1 and a specific activity of 1.94 min−1 mol Pd -1 when detoxifying 50 mg/L of 2,4-DCP at −0.85 V, surpassing the most reported catalysts. Furthermore, the Pd/U-TiO 2 catalyst consistently demonstrates higher H* utilization efficiency compared to single Pd, regardless of the 2,4-DCP concentration or reaction mode (batch or continuous-flow). This enhanced H* utilization efficiency is attributed to two key factors: the urchin-like and yolk/shell structure of U-TiO 2 enhances the mass diffusion of 2,4-DCP, and the strong interactions between Pd and U-TiO 2 generate electron-rich Pd species that enhance the adsorption and activation of COPs. Overall, this work highlights the synergistic effects of strong metal-support interactions and mass diffusion in enhancing atomic H* utilization. This study lays a significant experimental and theoretical foundation for designing efficient electrocatalysts for the detoxification of chlorinated organic pollutants and various other halogenated organic pollutants. [ABSTRACT FROM AUTHOR]

Heavy metal pollution treatment in industrial wastewater is crucial for protecting biological and environmental safety. However, the highly efficient and selective removal of heavy metal ions from multiple cations in wastewater is a significant challenge. This work proposed a pulse electrochemical method with a low-/high-voltage periodic appearance to selectively recover heavy metal ions from complex wastewater. It exhibited a higher recovery efficiency for heavy metal ions (100% for Pb 2+ and Cd 2+ , >98% for Mn 2+ ) than other alkali and alkaline earth metal ions (Na + , Ca 2+ , and Mg 2+ were kept below 3.6, 1.3, and 2.6%, respectively) in the multicomponent solution. The energy consumption was only 34-77% of that of the direct current electrodeposition method. The results of characterization and experiment unveil the mechanism that the low-/high-voltage periodic appearance can significantly suppress the water-splitting reaction and break the mass-transfer limitation between heavy metal ions and electrodes. In addition, the plant study demonstrates the feasibility of treated wastewater for agricultural use, further proving the high sustainability of the method. Therefore, it provides new insights into the selective recovery of heavy metals from industrial wastewater.

• A new model is proposed based on the lanoline conservation equations in the fluid and in the liquid phase. • The model depends on two parameters: the lanoline solubility and the mass-transfer coefficient. • The two 1st-order partial differential equations are solved together with parameter optimisation. • Extraction yields depend on time, flow rate, temperature, pressure, and wool packing factor. • Extraction yields are predicted with an average error of 2.18%. A new mathematical model is presented for the supercritical fluid extraction of lanoline from wool using near-critical ethanol-modified CO 2 , 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/C L , and a fluid-side mass-transfer coefficient, k G. For Re ∼1, K is independent of velocity and wool packing density, but increases with pressure (K = 4 − 15 × 10−4). k G is found to be independent of temperature; it increases with velocity, decreases with pressure, and increases with wool packing density. The values found are k G = 5.66 × 10-6 m/s (70 bar) and k G = 1.51 × 10-6 m/s (150 bar). [ABSTRACT FROM AUTHOR]

The application of lithium metal as an anode material for next generation high energy‐density batteries has to overcome the major bottleneck that is the seemingly unavoidable growth of Li dendrites caused by non‐uniform electrodeposition on the electrode surface. This problem must be addressed by clarifying the detailed mechanism. In this work the mass‐transfer of Li‐ions is investigated, a key process controlling the electrochemical reaction. By a phase field modeling approach, the Li‐ion concentration and the electric fields are visualized to reveal the role of three key experimental parameters, operating temperature, Li‐salt concentration in electrolyte, and applied current density, on the microstructure of deposited Li. It is shown that a rapid depletion of Li‐ions on electrode surface, induced by, e.g., low operating temperature, diluted electrolyte and a high applied current density, is the underlying driving force for non‐uniform electrodeposition of Li. Thus, a viable route to realize a dendrite‐free Li plating process would be to mitigate the depletion of Li‐ions on the electrode surface. The methodology and results in this work may boost the practical applicability of Li anodes in Li metal batteries and other battery systems using metal anodes. [ABSTRACT FROM AUTHOR]

A general and efficient method, involving sand‐milling pretreatment and base‐catalyzed transesterification of sucrose and fatty acid methyl ester (FAME), was presented for the solvent‐free synthesis of sucrose esters. A metastable homogeneous paste with a solid particle size of 13 μm (D50) was obtained by milling at 1000 rpm for 1 h. This reaction mixture generated a total SE yield of 88.2% with a methyl stearate (MS) conversion of 91.4% using K2CO3 as a catalyst at 135 °C for 3 h at a stirring rate of 500 rpm, while those without milling (D50, 153 μm) yielded a total sucrose fatty acid esters (SE) of 49.3% with a MS conversion of 83.1% under the same reaction conditions. The reaction kinetics revealed that the reaction mixture with milling pretreatment displays a shorter induction time and a faster reaction rate for the formation of SE. The promotion of the solvent‐free synthesis of SE in the current study could be attributed to the reduction of solid particle sizes and the increased compatibility of solid–liquid phases. We believe that this strategy could be used as a general way for strengthening other heterogeneous reactions in the organic synthesis. [ABSTRACT FROM AUTHOR]

• A model for NH 3 -SCR based on kinetics and computational fluid dynamics (CFD). • Model validation with SCR by monolithic Cu-ZSM-5. • Inhibition of effect of hydrocarbons in engine emission tests. A simple kinetic model for the standard NH 3 -SCR reaction by Cu-ZSM-5 catalysts has been developed by assuming three reaction steps: NH 3 adsorption (desorption), reactions of adsorbed NH 3 with O 2 (NH 3 oxidation) and NO (NH 3 -SCR). The model is based on Arrhenius parameters for NH 3 -SCR and NH 3 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 NH 3 -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. [ABSTRACT FROM AUTHOR]

• An open source algorithm was validated with theoretical and experimental results. • The analogy between mass and momentum transfer was successful. • RDE: the uniformity of mass-transfer is lost for turbulent conditions. • RCE: the interelectrode gap is the critical parameter on the mass-transfer conduct. Results of numerical calculations and their comparison with analytical expressions or experimental data under laminar and turbulent flow conditions are reported. It is predicted the transient and steady-state behaviour of mass-transfer coefficients and shear stresses in electrochemical reactors composed of rotating electrodes. Computational fluid dynamics (CFD) simulations were performed for both the rotating disc electrode (RDE) and the rotating cylinder electrode (RCE) considering the laminar or Reynolds-Averaged Navier-Stokes (RANS) equations. In this last case, it was assumed the Shear Stress Transport (SST) k-ω turbulence model sensitised by a correction term that accounts for streamline curvature and rotation. The hydrodynamics, coupled to the averaged diffusion-convection equation under transient conditions, was solved using the open source software OpenFOAM. A good agreement was attained between simulations and experimental or analytical results. In both rotating systems, a steady-state can be reached with an oscillatory behaviour that can be periodic in the case of laminar flow; depending on the Schmidt number, the interelectrode gap and the hydrodynamics. Also, the uniformity of the mass-transfer coefficient is lost under some circumstances. Finally, the full numerical code and a tutorial on how to use it, in order to perform simulations for the RDE or RCE, are supplied. [ABSTRACT FROM AUTHOR]

A standardised hydrocyclone is examined as an alternative reactor for the electrochemical processing of two-phase systems. Experimental measurements and computational predictions of residence time distributions demonstrate an appropriate hydrodynamics of the equipment. A main peak near the mean residence time was detected revealing that a fluid by-pass or dead regions are absent and the Peclet number, obtained by correlation of the experimental data, was higher than 9. Mass-transfer measurements made by using a segmented, or a grooved or a smooth cathode corroborate the good performance of the cylindrical body of the hydrocyclone. The presence of the gas phase has little influence on the residence time distribution as well as on the mass-transfer behaviour of this device. Sulphur dioxide reduction to colloidal sulphur was used as a test reaction to check the performance of the reactor. The best results were obtained at a cathodic potential of −0.5 V, against a saturated calomel electrode, where hydrogen evolution is not possible as a cathodic side reaction. Thus, a 56% current efficiency with a specific energy consumption of 20.4 kWh kg−1 and a space time yield of 10.4 kg m−3 h−1 were attained under a two-phase flow of 5% SO 2 in nitrogen. The sulphur particles obtained from the spigot present an average size of 6.7 μm being those carried by the overflow stream smaller, both of them of high purity. • The hydrocyclone has high mass-transfer conditions under single- or two-phase flow. • The reaction performance of the cylindrical part is better than in the conical section. • A modified hydrocyclone is suitable for electrochemical processing of two-phase systems. [ABSTRACT FROM AUTHOR]

Achieving and maintaining high yield during microLED display production requires integration of in‐process EL functional test into the mass‐transfer assembly process flow. Known Good Die (KGD) data from EL emission efficiency and color test of the source carrier substrate is key to directing mass‐transfer assembly of functionally good and matched microLED devices. Mass‐transfer approaches have varying compatibility with in‐process functional test data that can limit yield and throughput. This paper will analyze the issues and challenges of current microLED mass‐transfer technologies in production and compatibility with in‐process test. An optimized process flow utilizing KGD in‐process test and compatible mass‐transfer assembly methods is proposed. [ABSTRACT FROM AUTHOR]

Layer‐transferred high quality GaN and GaAs QMAT templates make LED efficiency enhancements for super thin (<2um) and ultra‐fine (<5um) microLED structures. Templates have pre‐patterns which minimize sidewall loss, eliminate dry etch damage, and intrinsically control street width and die size. [ABSTRACT FROM AUTHOR]

Abstract Natural gas + water-in-diesel emulsion + AA systems with and without wax were used to investigate the influence of wax crystals and their heat- and mass-transfer effect on hydrate formation from macroscopic and microscopic aspect in a flow system. Hydrate nucleation and initial growth were found to be a partially occurred phenomenon. Wax was found to prolong the hydrate induction time through two significant effects: one was the macroscopic heat-transfer effect produced by wax deposition with insulating effect, and the other was the microscopic mass-transfer resistance originating from the wax crystals that were adsorbed at or adjacent to the oil-water interface. Hydrate induction time shortened and became less scattered with the increasing initial pressure. Based on the heat-transfer theory of a flow system and the hydrate nucleation theory, an improved model for hydrate induction time prediction was developed by coupling calculation of hydraulics and heat-transfer and by introducing mass-transfer effect of adsorption of wax crystals. The findings of this work are meaningful for providing essential information and supports for the ongoing deep-sea oil and gas production and the application of hydrate-management strategies in the presence of wax crystals in a flow system. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Near-critical extraction of lanolin is well explained with a novel mass transfer model. • The more soluble lanolin is extracted first, followed by the less soluble fraction. • The solid-fluid mass transfer coefficient decreases with extraction pressure. Abstract This study deals with the modeling of the extraction of solid lanoline from raw wool under near-critical conditions using 5% ethanol in CO 2 , 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. [ABSTRACT FROM AUTHOR]

The complex, stratified seaweeds within kelp forests provide habitat to a multitude of organisms and can alter the physical and chemical parameters of their surrounding environment. It is unclear, however, how patterns in the architecture of these beds change as the tide ebbs and floods. We investigate biomass distribution of floating and stipitate canopies within a kelp bed during low and high slack tides to determine how biomass interacts with common environmental parameters (nutrients, light, and mass-transfer). Floating canopy biomass remained consistent despite differences in depth, likely driven by an interaction between stipe density and individual biomass. Biomass was distributed inconsistently throughout the water column, in which biomass at the surface roughly doubled at low tide relative to high. Despite an increase in kelp biomass at the surface of the water column during low tide, more light reached the benthos than at high tide, suggesting that seawater optical properties independent of algal canopy better explain light attenuation. Seawater nutrients were consistent throughout the bed. Rates of mass-transfer decreased from the exterior to the interior of the bed and also attenuated with depth. This study highlights the structural complexity of kelp beds and the localized effects on important environmental variables. [ABSTRACT FROM AUTHOR]

Gassed biochemical reactor called Gassed reactor from now on is equipped by pneumatic mixing device per substitution of the electric motors and magnetic drivers or the aseptic mechanical seal to warrant asepsis and isolation conditions in biochemical applications; in particular, Gassed reactor is distinguished by higher mass-transfer rates in aerobic biochemical processes that take place under the enriched gas atmosphere of the reactor’s chamber. A maximum working gas-flow expands to the set allowable levels of liquid turbulence of the reactor’s chamber by experimental tests and the maximum reactor-scale to the set allowable value is found by mathematical simulation. The software and the user-interface are conceived to accomplish the reactor’s design and estimate the technical performance to the mixing processes on gas-liquid systems. Gassed reactor supports different geometrical rates to the standard reactor with single impeller at the slender vessels showing arrangements of impellers of different sizes; the sterile gas for the reactor’s operation is produced to the compression unit itself per substitution of the regular sterilization procedures. Gassed reactor is distinguished by mechanical breaking of the unwanted foams to avoiding the use of chemicals, the safe extraction of samplings and yields pressurizing the reactor’s chamber and the supply of suspensions on the working gas-stream; the reactor constitutes a new technological alternative of low-cost for small pharmaceutical productions, the works on labs and research purposes; significant technical and economical profits at reactors layouts are foreseen.

A useful aerosol model must be able to adequately resolve the chemical complexity and phase state of the wide particle size range arising from the many different secondary aerosol growth processes to assess their environmental and health impacts. Over the past two decades, significant advances in understanding of gas-aerosol partitioning have occurred, particularly with respect to the role of organic compounds, yet aerosol representations have changed little in air quality and climate models since the late 1990s and early 2000s. The gas-aerosol partitioning models which are still commonly used in air quality models are separate inorganics-only thermodynamics and secondary organic aerosol (SOA) formation based on absorptive partitioning theory with an assumption of well-mixed liquid-like particles that continuously maintain equilibrium with the gas phase. These widely used approaches in air quality models for secondary aerosol composition and growth based on separated inorganic and organic processes are inadequate. This review summarizes some of the important developments during the past two decades in understanding of gas aerosol mass transfer processes. Substantial increases in computer performance in the last decade justify increasing the process detail in aerosol models. Organics play a central role during post-nucleation growth into the accumulation mode and change the hygroscopic properties of sulfate aerosol. At present, combined inorganic-organic aerosol thermodynamics models are too computationally expensive to be used online in 3-D simulations without high levels of aggregation of organics into a small number of functional surrogates. However, there has been progress in simplified modeling of liquid-liquid phase separation (LLPS) and distinct chemical regimes within organic-rich and inorganic-rich phases. Additional limitations of commonly used thermodynamics models are related to lack of surface tension data for various aerosol compositions in the small size limit, and lack of a comprehensive representation of surface interaction terms such as disjoining pressure in the Gibbs free energy which become significant in the small size limit and which affect both chemical composition and particle growth. As a result, there are significant errors in modeling of hygroscopic growth and phase transitions for particles in the nucleation and Aitken modes. There is also increasing evidence of reduced bulk diffusivity in viscous organic particles and, therefore, traditional secondary organic aerosol models, which are typically based on the assumption of instantaneous equilibrium gas-particle partitioning and neglect the kinetic effects, are no longer tenable.

Mass transfer was studied at the external electrode of a cylindrical electrochemical reactor with decaying swirling flow using a single phase electrolyte and also a dispersion of a gas phase in the solution. The local mass-transfer coefficients were measured with a segmented cathode using the reduction of ferricyanide as test reaction. Two strategies were used to introduce the gas phase. In the first case the gas was fed by three holes symmetrically drilled at the bottom of the central anode tube and in the second one by means of a tee fitting at the reactor inlet. The best performance was obtained with the single phase electrolyte giving 0.78 as the exponent of the Reynolds number and the mass-transfer distribution along the reactor length is more uniform than that reported for a parallel plate electrochemical reactor under laminar flow conditions. The mass-transfer enhancement factor related to an annular duct with axial developing flow ranges from 8 to 11. This high value is the consequence of two factors: (i) the intensive forced convection produced by the swirling flow at the outer electrode and (ii) the sudden expansion of the flow at the entrance due to the small tangential inlet. The fed of a gas phase in the reactor has scarce influence on the mass-transfer performance. A comparison of mass-transfer results with previous studies is made. [ABSTRACT FROM AUTHOR]

Advances in layer‐transfer methods are making large‐area growth templates a reality for GaN and GaAs compound semiconductors. QMAT will introduce its layer‐transfer technology tuned for microLED applications integrating functional layers that simplify printability and testability. MicroLED yield and test challenges will also be discussed. [ABSTRACT FROM AUTHOR]

Advances in layer‐transfer methods are making large‐area growth templates a reality for GaN and GaAs compound semiconductors. QMAT will introduce its layer‐transfer technology tuned for microLED applications integrating functional layers that simplify printability and testability. MicroLED yield and test challenges will also be discussed. [ABSTRACT FROM AUTHOR]

Ultrasonic is well-known to be helpful for the improvement of chemical reactions due to its acoustic cavitation. This work reports for the first time the use of ultrasonic to enhance micromixing and mass-transfer in a rotating packed bed (RPB) reactor. The ultrasonic probes were installed as stators on the cover of the RPB reactor. Comparisons of micromixing efficiency, effective interfacial area, and volumetric liquid-side mass-transfer coefficient in the RPB reactor with and without ultrasonic were investigated systematically. A discussion for the micromixing and mass-transfer improvement in the RPB reactor was given. Feasibility studies indicated that the relative segregation index decreasing, the relative effective interfacial area increasing, and the relative volumetric liquid-side mass-transfer coefficient increasing are 13.8%, 3.7%, and 5.5%, respectively. [ABSTRACT FROM AUTHOR]

In order to develop an electrochemical technology with low-energy consumption for water treatment applications, we fabricated a novel reactive electrochemical membrane (REM) operated in cross-flow filtration mode. The REM with three-dimensional ordered macroporous PbO 2 (3DEM-PbO 2 ) film was synthesized via templated deposition that was based on a porous Ti substrate. Compared to conventional flat Ti/PbO 2 (F-Ti/PbO 2 ) electrode, the 3DEM-PbO 2 possessed larger specific surface area (38.89 m 2 g −1 ), higher oxygen evolution potential (OEP, 1.9 V), larger Voltammetric charge (238 mC cm −2 ) and smaller electron transfer resistance (1.43 Ω). Furthermore, advection-enhanced mass transfer was obtained when the 3DEM-PbO 2 REM is operated in an electrochemical filtration reactor (EFR), relative to a traditional batch reactor (BR). The electrochemical mineralization experiments with flutriafol (FTF) demonstrated that the 3DEM-PbO 2 REM operated in the EFR was active for FTF and TOC removal at a low current density of 5 mA cm −2 . The oxidation current efficiency of REM operated in a EFR was much higher than that of conventional electrochemical system, and the corresponding energy consumption was lower (0.0505 kWh g −1 FTF, at FTF removal of 75%). The hydroxyl radicals (·OH) production and its utilization rate of the REM was significantly improved, resulting from a combination of the strong catalytic activity of 3DEM-PbO 2 and the enhanced mass transfer by filtration mode. Furthermore, computational fluid dynamics (CFD) method was carried out to help explain the improvement of oxidation performance with 3DEM-PbO 2 REM in a EFR. Eventually, the electrocatalysis experiments of practical wastewater demonstrated the extreme promise of 3DEM-PbO 2 REM for tailwater advanced treatment applications. [ABSTRACT FROM AUTHOR]

This work presents a two-dimensional analytical solution of the governing differential equation for falling film vapour-absorption around a plain horizontal tube. The solution of the species transport equation gives the LiBr mass fraction distribution within the liquid absorptive film flowing along the tube surface and can be used to characterize the mass transfer performance of falling film absorbers or generators. By means of the inclusion of partial wetting effects at reduced solution mass flowrates, this study obtains an analytical expression of the mass transfer coefficient of these devices applicable over an extended range of operative conditions. The hypotheses of small penetration for physical absorption and constant heat flux condition are applied at the film interface to reach a closed-form solution. Fourier method is used to solve the problem and the eigenvalues obtained from the characteristic equation depend on Lewis number, Biot number and the dimensionless heat of absorption. Given the boundary condition at the wall, the two-dimensional mass fraction field of the laminar film can be expressed analytically as a function of Schmidt, Reynolds numbers, the tube dimensionless diameter and the ratio of the wetted area to the total exchange surface. Finally, mass transfer coefficient and absorbed mass flux are locally and globally investigated as functions of the influent dimensionless groups to clarify their effects on the physical process and screen the potentiality of the model. Results show notable qualitative and quantitative agreement with previous numerical solutions and experimental results from previous literature. This model constitutes a widely applicable and time-saving tool for actual system simulations, design and control. [ABSTRACT FROM AUTHOR]

Three volatile organic compounds (VOC) with no acidic or basic function (butanol, butyraldehyde, methylethylketone), encountered at low concentrations in odorous effluents, were absorbed in water in a compact wet scrubber. This gas-liquid contactor consisted of a wire mesh packing structure where the gas phase flows at high velocity (>12 m s −1 ). A very turbulent two-phase downward flow could be observed in the scrubber with dispersed fine droplets (around 10 μm). For compounds showing a good affinity for water, such as butanol, removal efficiencies up to 90% were measured for a short contactor length of 32 cm leading to a gas residence time of 20 ms. However, the removal efficiency of butyraldehyde, which is poorly soluble in water, ranged between 10 and 30%. Mass-transfer modeling was achieved and underlined that working with several small scrubbers in series, fed with an unloaded solution, is effective to improve the removal efficiency. The influences of the VOC/solvent affinity, the contactor length, and the mass-transfer and hydrodynamic parameters on the removal efficiency were evaluated through a sensitivity analysis. [ABSTRACT FROM AUTHOR]

Mass transfer of light non-aqueous phase liquids (LNAPLs) trapped in porous media is a complex phenomenon. Water table fluctuations have been identified as responsible for generating significant variations in the concentration of dissolved hydrocarbons. Based on field evidence, this work presents a conceptual model and a numerical solution for mass transfer from entrapped LNAPL to groundwater controlled by both LNAPL saturation and seasonal water table fluctuations within the LNAPL smear zone. The numerical approach is capable of reproducing aqueous BTEX concentration trends under three different scenarios – water table fluctuating within smear zone, above the smear zone and partially within smear zone, resulting in in-phase, out-of-phase and alternating in-phase and out-of-phase BTEX concentration trend with respect to water table oscillation, respectively. The results demonstrate the model's applicability under observed field conditions and its ability to predict source zone depletion. [ABSTRACT FROM AUTHOR]

[Display omitted] • Alternating flow-through regime allows hydrogen distribution to cathodic biofilm. • Alternating flow-through regime removes high local pH (6.8) at cathode. • CO 2 conversion to n -caproate within 45 days after start-up in single system. • Clostridium sensu stricto 12 and Peptococcaceae main chain elongaters. 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 CO 2 conversion and highlight the application potential of microbial electrosynthesis. [ABSTRACT FROM AUTHOR]

• Mass-transfer in bubbly flows is simulated in OpenFOAM. • Absorption and desorption as well as co- and counter-current flows are considered. • Comparison is made with literature data including concentration measurements. • Constant bubble size and mass transfer coefficient are taken from the experiment. • A demonstration of a polydisperse simulation is given. 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. [ABSTRACT FROM AUTHOR]

The kinetic modeling of NH 3 -SCR with a Cu-ion-exchanged chabazite (Cu-CHA) catalyst in steady-state reactions was investigated by a combination of flow reactor experiments and kinetic modeling with an in-house computational code. Here H-CHA and Cu-CHA monolith cylindrical catalyst specimens were used to identify the reactions at both Brønsted (H+) acid sites and Cu sites. Based on the proposals in the literature for NH 3 -SCR mechanism, a scheme for SCR and side reactions incorporating 17 reactions is proposed, and some of the reactions were verified by the experimental results here for the adsorption/desorption of NH 3 , unsteady-state reactions of the adsorbed NH 3 with NO 2 over the Cu-CHA and H-CHA, and NH 3 oxidation over Cu-CHA. The Arrhenius parameters for Standard, Fast, and Slow SCR reactions, NH 3 oxidation, NO oxidation to NO 2 , NO 2 decomposition to NO, and NH 3 desorption were obtained by kinetic experiments. This report develops a quantitative simulation model for SCR and side reactions, and the model was validated by experimental data for adsorption/desorption of NH 3 and NO 2 , steady-state SCR reactions (Standard, Fast, and Slow SCR), and side reactions (NH 3 and NO oxidation). The simulation model developed in this study can predict the steady-state SCR data and adsorption/desorption of NH 3 and NO 2 under unsteady-state. [Display omitted] • Investigations of reactions over Brønsted and Lewis acid sites by Cu-CHA and H-CHA catalysts. • The identified 17 kinds of important reactions were suggested through experiments. • Ammonia nitrate (NH 4 NO 3) production in Fast and Slow SCR reactions. • The developments of a kinetic SCR model considering energy transport, mass transport, diffusion, and chemical reactions. [ABSTRACT FROM AUTHOR]

Different values describing both the efficiency of rectification column and the efficiency of mass-transfer are represented in the brief literature review. It is also showed that the approach used for the calculation of mass-transfer efficiency characteristics in binary mixtures is not very acceptable for multi-component mixtures.

• available models for the mass transfer coefficient are assessed. • a rather complete set of measurements from the literature is used. • fluid dynamical properties are predicted quite well. • prediction of mass transfer still has some deficiencies. • pressure is found to have a significant effect which has not been highlighted before. 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 O 2 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 O 2 is found on the pressure, which varies with the hydrostatic head above the test section. [ABSTRACT FROM AUTHOR]

• New Swell-Cavity Ratio parameter was used to characterize transport channel changes. • A model was built about the Hansen solubility parameter and Swell-Cavity Ratio. • Membrane mass transfer mechanism greatly affects the trend of the Swell-Cavity Ratio. • The model can accurately calculate the membranes pore changes in organic solvents. • The model is instructive for the application agility of membrane in organic solvents. The relationship between swelling, the difference (Δδ) in theoretical Hansen solubility parameters (HSP) between the two substances, and the change of membrane mass-transfer channel has been controversial. In this work, a completely new parameter, Swell-Cavity Ratio (SCR), defined as the ratio of membrane molecular weight cut off (MWCO), was introduced to characterize the changes in mass transfer channels before and after membrane swelling. Models of the relationship between Δδ and SCR were successfully constructed for nanoporous glassy (SCR = 0.19 × Δδ0.40) and rubbery (SCR = 17.7 × Δδ-0.93) membranes, using the swelling as a bridge. Based on this contradiction in models, we speculate that SCR variation is strongly related to the separation mechanism of the membranes. The theoretical model accurately calculates the influence of the solvent on the membrane mass transfer channel, allowing for the selection of the best membrane material and pretreatment process to maximize treatment efficiency. [ABSTRACT FROM AUTHOR]

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 spatially resolved 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 the 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. [ABSTRACT FROM AUTHOR]

Previous particle-tracking (PT) algorithms for chemical reaction conceptualize each particle being composed of one species. Reactions occur by either complete or partial birth/death processes between interacting particles. Here we extend the method by placing any number of chemical species on each particle. The particle/particle interaction is limited to mass exchange. After exchange, reactions of any sort are carried out independently on each particle. The novel components of the algorithms are verified against analytic solutions where possible. [ABSTRACT FROM AUTHOR]

Models proposed to describe the liquid side mass transfer coefficient in absorption processes 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. [ABSTRACT FROM AUTHOR]

Open cell foams are regarded with interest for applications as catalytic substrates for combustion, reformers and after-treatment converters for the pollutant emissions control. In this context, CFD represents a reliable and convenient tool for investigating and understanding the physical phenomena occurring at the micro-scale, in order to design and optimize these substrates. A CFD model for the simulation of the catalytic reactions occurring over the surface of open-cell foams is implemented and validated. The approach is based on a coupled finite-volume/finite-area strategy capable to describe the fluid-dynamic and the chemical phenomena occurring in both the fluid phase and solid phases. The adsorption/desorption of the reactants on the active sites and the surface reaction is modeled on the basis of a Langmuir–Hinshelwood mechanism. The model is able to describe the reactants conversion under both kinetics and diffusion control, allowing to predict the light-off curve characterizing the catalyst-coated foam substrate. [ABSTRACT FROM AUTHOR]

Copyright of Journal of China University of Petroleum is the property of China University of Petroleum and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

A simple dynamic absorption procedure to assess the mass-transfer performances of a solvent toward a selected gaseous solute is presented. Absorption was operated semi-continuously at transient state until the equilibrium was reached without solvent recirculation. Four volatile organic compounds (VOC) more or less hydrophobic (toluene, acetone, dichloromethane, isopropanol) were absorbed in water and two heavy organic solvents (Bis(2-ethylhexyl) adipate DEHA and polydimethylsiloxane PDMS). A numerical resolution procedure was developed to simulate the gas–liquid mass-transfer and to deduce the VOC partition coefficients, expressed as the Henry’s law constants, as well as the overall liquid-phase mass-transfer coefficients. The overall liquid-phase mass-transfer coefficients were correlated to the diffusion coefficients using the Higbie penetration theory. The results confirm the high selectivity of water whereas the two organic solvents, especially DEHA, exhibit rather good affinity with all VOC even if the Henry’s law constants of the most soluble and the less soluble compounds for those solvents differ by 1 or 2 orders of magnitude. The liquid-film mass-transfer coefficients in the two organic solvents, even being more viscous, are larger than in water which confirms their good potential for hydrophobic VOC treatment. [ABSTRACT FROM AUTHOR]

Microfluidic fabrication of helical microfibers is still a big challenge. The reason is that this always includes designing the necessary geometrical channels and chemical conditions to first form a flowing liquid jet, which has to be continually reacting and rapidly evolving in time from viscous liquid to a flexible solid to maintain the helical structure inside the microfluidic channels. In this report, dextran aqueous solution and liquid PEG400 are infused separately into the inner and outer channels of a simple single emulsion microfluidic device, respectively. The formed two phase stream then enters a widening collection tube, where automatically formation of dextran helical fiber happened due to water shifting and widening of the channel cooperatively induced buckling. Various experimental conditions that influence the amplitudes, wavelengths, and diameters of the formed helical fibers are discussed. [ABSTRACT FROM AUTHOR]

In this work, the concept of “s” shape distillation column and its elliptical tray were proposed to break up the stagnation in research focusing on enhancing the development of distillation tower internals. On the basis of conventional distillation experience, the advantages and disadvantages of an “s” shape distillation column and its elliptical tray were analyzed respectively. To investigate the performance of the “s” shape distillation column, it is necessary to first understand the properties of its elliptical tray. Three 3D two phase flow models were developed respectively in the Eulerian–Eulerian framework to predict hydraulics, residence time distribution and mass-transfer performance of the elliptical sieve tray (EST) and the circular sieve tray (CST). In particular, with ingenious design, we for the first time successfully applied the up-step change method in CFD to investigate the residence time distribution on trays. The results show that EST has less channeling, recirculation and stagnant zones as well as longer average residence time than CST. Consequently, EST has better tray efficiency than CST at the same operating conditions. It indicates that the elliptical outline has a positive influence on the performance of trays. [ABSTRACT FROM AUTHOR]

Several approximate solutions are derived to predict the concentration polarization effect in a shell-and-tube Pd-membrane empty separator with permeate flow either in the tube or in the shell. The first two approximations (Nekhamkina and Sheintuch (2015) [22] ) are governed by ODEs describing the axial profiles of the average variables coupled with algebraic relations that describe the radial profiles of velocity components and species concentrations. The hydrogen membrane flux is approximated by a mass transfer coefficient k=D (∂ c H2 /∂ r ) w /(〈 c H2 〉− c H2 w ) expressed via the Sherwood number Sh = kd/D which is a geometry-dependent parameter ( D is hydrogen diffusivity, c H2 w = p H 2 , w r e t / RT is its membrane wall concentration and d a characteristic length). Here Sh is obtained by 2-D CFD simulations in a wide range of parameters and when plotted vs the separator length, it reaches an asymptotic value that matches the predicted values and is independent of operating conditions. The third approximation reduces the polarization effect to an algebraic equation by approximating the effectiveness factor η =[( p H 2 , w r e t ) 0.5 −( p H 2 p e r ) 0.5 ]/[〈( p H 2 r e t )〉 0.5 −( p H 2 p e r ) 0.5 ] which depends mainly on the ratio of the mass-transfer coefficient to the membrane permeance parameter Γ = Γ ( Sh ). This expression can be used for fast design of separators that avoids or accounts for polarization effects. The three approximations offer a trade-off between accuracy and ease of application. [ABSTRACT FROM AUTHOR]

Application of commercial electrochemical oxidation reactor for industry discharge water was limited by the inefficient mass transfer of molecule. For this case, a functional electrocatalytic reactor was designed to enhance the mass transfer of the electrochemical oxidation. The reactor is composed of a tubular porous Ti-RuO 2 electrode and a stainless steel tube. The electrode was fabricated by loading an electrocatalytic membrane of RuO 2 on a porous Ti tube. Characterization of the electrode was analyzed by FE-SEM, XRD, XPS and bubble point method. The results show that the electrode consisted of micropore structure which pore size and porosity were 0.98 μm and 27%, respectively. Further, the results of cyclic voltammetry method have proved that porous electrode has larger electrochemical surface area than plate electrode with the same geometrical area. In addition, the steady-state of chronoamperometry measurements by the reactor was as twice as that of plate electrode, indicating a significant enhancement of mass transfer. Electrochemical oxidation of tricyclazole was investigated with reactor and plate electrode under different initial concentration and current density. By the comparison with plate electrode, the reactor has higher removal rate and current efficiency. The high performance of electrocatalytic reactor based on the tubular porous Ti-RuO 2 electrode in the electrochemical oxidation is mainly attributed to mass transfer enhancement via the pump and larger electrochemical surface area due to porous structure. [ABSTRACT FROM AUTHOR]

Gassed biochemical reactor called Gassed reactor from now on is equipped by pneumatic mixing device per substitution of the electric motors and magnetic drivers or the aseptic mechanical seal to warrant asepsis and isolation conditions in biochemical applications; in particular, Gassed reactor is distinguished by higher masstransfer rates in aerobic biochemical processes that take place under the enriched gas atmosphere of the reactor's chamber. A maximum working gas-flow expands to the set allowable levels of liquid turbulence of the reactor's chamber by experimental tests and the maximum reactor-scale to the set allowable value is found by mathematical simulation. The software and the user-interface are conceived to accomplish the reactor's design and estimate the technical performance to the mixing processes on gas-liquid systems. Gassed reactor supports different geometrical rates to the standard reactor with single impeller at the slender vessels showing arrangements of impellers of different sizes; the sterile gas for the reactor's operation is produced to the compression unit itself per substitution of the regular sterilization procedures. Gassed reactor is distinguished by mechanical breaking of the unwanted foams to avoiding the use of chemicals, the safe extraction of samplings and yields pressurizing the reactor's chamber and the supply of suspensions on the working gas-stream; the reactor constitutes a new technological alternative of low-cost for small pharmaceutical productions, the works on labs and research purposes; significant technical and economical profits at reactors layouts are foreseen. [ABSTRACT FROM AUTHOR]

A continuous-flow adsorption/desorption process for the recovery of phenolic compounds (PCs) from olive mill wastewaters (OMWs) was developed in a 0.53 m packed column, using a previously selected resin (Amberlite XAD16) and an actual OMW. The main goals of the study were (i) to evaluate the PC adsorption/desorption performances of XAD16 by means of adsorption isotherms and adsorption/desorption breakthrough tests, and (ii) to develop a reliable model of the process. A combination of centrifugation and microfiltration resulted necessary to attain a high suspended solid removal (98.5%) and thus avoid clogging of the packed bed. The quality of two packing procedures was evaluated by means of frontal analysis tests. XAD16 performed well in terms of both adsorption yield at 20% breakthrough (87–88%) and PC/COD selectivity (PC/COD adsorption constant = 7–9). The desorption solvent (acidified ethanol) was effectively regenerated by vacuum distillation. The adsorption breakthrough curves were successfully simulated with a 1-D convection/dispersion model with mass-transfer ( R 2 = 0.95–0.99; k L a = 0.8–2.5 · 10 −3 1/s), whereas an equilibrium adsorption model with dispersion failed to predict the experimental data. In the perspective of a process scale-up, the simulation of the best-performing operational condition was used to evaluate the process performances for different column lengths (0.5–10 m). A precise and automated HPLC method for total PC measurement was developed and compared to the traditional Folin–Ciocalteu methodology. Further research is needed to optimize the desorption step, to scale up the process and to evaluate the long-term resin performances. [ABSTRACT FROM AUTHOR]

Models of the mass-transfer in a stirred tank bioreactor depending on general indexes of the processes of aeration and mixing in concrete simplifications of the hydrodynamic structure of the flows are developed. The offered combined model after parameters identification is used for optimization of the parameters of the apparatus construction. The optimization problem is solved by using of the fuzzy sets theory and in this way the unspecified as a result of the model simplification are read. In conclusion an optimal control of a fed-batch fermentation process of E. coli is completed by using Neuro-Dynamic programming. The received results after optimization show a considerable improvement of the mass-transfer indexes and the quantity indexes at the end of the process.

Solvent impregnated resins are promising for the removal of polar organic compounds from aqueous streams, but have low mass-transfer rates. A thorough understanding of the phenomena occurring inside the pores of the solvent impregnated resin is therefore required. In this study a mathematical model was developed to describe the simultaneous diffusion and reaction. The diffusion was described using the Maxwell–Stefan approach towards multi-component diffusion and included the volume-expansion of the organic phase. The model was validated using experimental data from the literature on the extraction of phenol by Cyanex923 impregnated in macro-porous polypropylene. The model described the experimental data as function of temperature and initial concentration accurately with an R 2 >0.96 and a regressed reaction rate constant with a confidence interval of ±6%. Analysis of the model results revealed that multi-component effects as described by the Maxwell–Stefan model were of limited importance whereas the volume expansion was essential to accurately describe the experimental data. [ABSTRACT FROM AUTHOR]