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Number of results: 18
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Abstract

The paper focuses on the modelling of bromate formation. An axial dispersion model was proposed to integrate the non-ideal mixing, mass-transfer and a kinetic model that links ozone decomposition reactions fromthe Tomiyasu, Fukutomi and Gordon (TFG) ozone decaymodelwith direct and indirect bromide oxidation reactions, oxidation of natural organicmatter and its reactionswith aqueous bromine. To elucidate the role of ammonia an additional set of reactions leading to bromamine formation, oxidation and disproportionation was incorporated in the kinetic model. Sensitivity analysis was conducted to obtain information on reliability of the reaction rate constants used and to simplify the model.
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Abstract

Validation results of a theoretical model that describes the formation of bromate during ozonation of bromide-containing natural waters are presented. An axial dispersion model integrating the nonideal mixing, mass-transfer and a kinetic model that links ozone decomposition reactions from the Tomiyasu, Fukutomi and Gordon ozone decay model with direct and indirect bromide oxidation reactions, oxidation of natural organicmatter and reactions of dissolved organics and aqueous bromine was verified. Themodel was successfully validated with results obtained both at a laboratory and a full scale. Its applicability to different water supply systems was approved.
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Abstract

The quantitative description of an airlift bioreactor, in which aerobic biodegradation limited by carbonaceous substrate and oxygen dissolved in a liquid takes place, is presented. This process is described by the double-substrate kinetics. Mathematical models based on the assumption of plug flow and dispersion flow of liquid through the riser and the downcomer in the reactor were proposed. Calculations were performed for two representative hydrodynamic regimes of reactor operation, i.e. with the presence of gas bubbles only within the riser and for complete gas circulation. The analysis aimed at how the choice of a mathematical model of the process would enable detecting the theoretical occurrence of oxygen deficiency in the airlift reactor. It was demonstrated that the simplification of numerical calculations by assuming the “plug flow” model instead of dispersion with high Péclet numbers posed a risk of improper evaluation of the presence of oxygen deficiency zones. Conclusions related to apparatusmodelling and process design were drawn on the basis of the results obtained. The paper is a continuation of an earlier publication (Grzywacz, 2012a) where an analysis of single-substrate models of the airlift reactor was presented.
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Abstract

Kinetic resolution of (R)- and (S)-mandelic acid by its transesterification with vinyl acetate catalysed by Burholderia cepacia lipase has been studied. The influence of the initial substrate concentration on the kinetics of process has been investigated. A modified ping-pong bi-bi model of enzymatic transesterification of (S)-mandelic acid including substrate inhibition has been developed. The values of kinetic parameters of the model have been estimated. We have shown that the inhibition effect revealed over a certain threshold limit value of the initial concentration of substrate.
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Abstract

The study was aimed to determine the hydrodynamic of water seepage through a porous bed saturated with different amounts of high viscosity liquids. An attempt was made to describe the process of seepage through beds saturated with oils using the theory of outflow of a liquid from the tank. It was assumed that the discharge coefficient will represent changes of flow resistance during the process. It was found that the dependence of this factor on time is linear. In the second part of this work kinetics of the seepage process was investigated. Dependence of oil concentrations, eluted from the deposit with the flowing water, on time has been evaluated. Thanks to these studies it was possible to determine the effectiveness of an elution of high viscosity liquids from porous beds using water as the washing out liquid.
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Abstract

Periodic adsorption in a perfect mixing tank of a limited volume was considered. It was assumed that the adsorption rate is limited by diffusion resistance in a pellet. The approximate model of diffusion kinetics based on a continued fraction approximation was compared with the exact analytical solution. For the approximate model an algorithm was developed to determine a temporal variation of the adsorbate concentration in the pellet. The comparison was made for different values of the adsorbent load factor. In the numerical tests different shapes of pellets were considered. Both the numerical tests as well as our own experimental results showed that the approximate model provides results that are in good agreement with the exact solution. In the experimental part of this work adsorption of p-nitrophenol and acetic acid from aqueous solutions on cylindrical pellets of activated carbon was conducted.
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Abstract

Balance, thermodynamic and mainly kinetic approaches using methods of process engineering enable to determine conditions under which iron technology can actually work in limiting technological states, at the lowest reachable fuel consumption (reducing factor) and the highest reachable productivity accordingly. Kinetic simulation can be also used for variant prognostic calculations. The paper deals with thermodynamics and kinetics of iron making process. It presents a kinetic model of iron oxide reduction in a low temperature area. In the experimental part it deals with testing of iron ore feedstock properties. The theoretical and practical limits determined by heat conditions, feedstock reducibility and kinetics of processes are calculated.
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Abstract

This study manufactured a SiC coating layer using the vacuum kinetic spray process and investigated its microstructure and wear properties. SiC powder feedstock with a angular shape and average particle size of 37.4 μm was used to manufacture an SiC coating layer at room temperature in two different process conditions (with different degrees of vacuum). The thickness of the manufactured coating layers were approximately 82.4 μm and 129.4 μm, forming a very thick coating layers. The SiC coating layers consisted of α-SiC and β-SiC phases, which are identical to the feedstock. Cross-sectional observation confirmed that the SiC coating layer formed a dense structure. In order to investigate the wear properties, ball crater tests were performed. The wear test results confirmed that the SiC coating layer with the best wear resistance achieved approximately 4.16 times greater wear resistance compared to the Zr alloy. This study observed the wear surface of the vacuum kinetic sprayed SiC coating layer and identified its wear mechanism. In addition, the potential applications of the SiC coating layer manufactured using the new process were also discussed.
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Abstract

The sorption isotherm and sorption kinetics of NH4+ by the Fen River reservoir sediment were investigated for a better understanding of the NH4+ sorption characteristics and parameters. The results showed that Q (adsorption content) increased with the increase of Ceq (equilibrium concentration), sorption isotherms could be described by Freundlich equation (R2 from 0.97 to 0.99). Cation exchange capacity (CEC) had a significant correlation with the parameters K and n (R2 was 0.85 and 0.95, respectively). The ENC0 (Ceq as Q was zero) of S1, S2, S3 and S4 was 1.25, 0.57, 1.15 and 1.14 mg L-1, respectively, and they were less than the NH4+ concentrations in reservoir water. The sediments released NH4+ to the Fen River reservoir water and acted as a pollution source, in the form of complex and heterogeneous adsorbents. The NH4+ adsorption kinetic process was composed of ‘fast’ and ‘slow’ reaction patterns and could be fitted using both Elovich equation and Pseudo second-equation. More than one-step may be involved in the NH4+ sorption processes, and interior diffusion was not dominant ion action.
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Abstract

We present a review of recent technical developments in Lattice Boltzmann Equations, as applied to single-phase flows with and without slip lenghts at the wall and for multi-phase flows in presence of hydrophobic walls. The interplay between roughness and hydrophobicity is discussed for microfluidics application. The issue of finite Knudsen effects is also addressed.
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Abstract

Experimental investigations and numerical simulations have been conducted in this study to derive and test the values of kinetic parameters describing oxidation and gasification reactions between char carbon and O2 and CO2 occurring at standard air and oxy-fuel combustion conditions. Experiments were carried out in an electrically heated drop-tube at heating rates comparable to fullscale pulverized fuel combustion chambers. Values of the kinetic parameters, obtained by minimization of the difference between the experimental and modeled values of char burnout, have been derived and CFD simulations reproducing the experimental conditions of the drop tube furnace confirmed proper agreement between numerical and experimental char burnout.
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Abstract

The homogeneous stirred reactor designed for kinetic studies of the combustion of hydrocarbons with intensive internal recirculation in high temperature combustion chamber is described. The originality of our reactor lies in its construction which allows to intensively mix fuel and flue gases, measure gas temperature as well as obtain samples which can be used to investigate diffusion flames. The cylindrical construction enables to use the reactor in laboratory cylindrical electrically heated ovens. The CFD analysis of the reactors, the mixing parameters (turbulent Peclet number and mixing level) and the volume average temperature in the reactors were elaborated on the basis of the typical dimensions of classical reactors to kinetics research as well as the own reactor design. The results of the analysis allow to reveal advantages of our construction.
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Abstract

The demand for a net reduction of carbon dioxide and restrictions on energy efficiency make thermal conversion of biomass a very attractive alternative for energy production. However, sulphur dioxide emissions are of major environmental concern and may lead to an increased corrosion rate of boilers in the absence of sulfatation reactions. Therefore, the objective of the present study is to evaluate the kinetics of formation of sulphur dioxide during switchgrass combustion. Experimental data that records the combustion process and the emission formation versus time, carried out by the National Renewable Energy Institute in Colorado (US), was used to evaluate the kinetic data. The combustion of switchgrass is described sufficiently accurate by the Discrete Particle Method (DPM). It predicts all major processes such as heating-up, pyrolysis, combustion of switchgrass by solving the differential conservation equations for mass and energy. The formation reactions of sulphur dioxide are approximated by an Arrhenius-like expression including a pre-exponential factor and an activation energy. Thus, the results predicted by the Discrete Particle Method were compared to measurements and the kinetic parameters were subsequently corrected by the least square method until the deviation between measurements and predictions was minimised. The determined kinetic data yielded good agreement between experimental data and predictions.
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Abstract

Nanoparticles are very fascinating area of science not only due to their unique properties but also possibility of producing new more complex materials, which may find an application in modern chemistry, engineering and medicine. In process of nanoparticles formation very important aspect is a rate of individual stage i.e. reduction, nucleation and autocatalytic growth, because this knowledge allows for proper materials design, morphology manipulation, stability. The last one aspect can be realized using proper electrostatic, steric and electrosteric stabilization. However until now nobody reports and measures kinetic rates of all stages during process of particles formation in the presence of steric stabilizers. Thus, the main contribution of this paper is determination of individual rate constants for nanoparticles formation in the presence of steric stabilizers and their comparison to the system without stabilizer. For this purpose, an aqueous solution of Au(III) and Pt(IV) ions were mixed with steric stabilizers like PVA and PVP, and reduced using L-ascorbic acid as a mild and sodium borohydride as a strong reductant. As a results stable nanoparticles were formed and process of their formation was registered spectrophotometrically. From obtained kinetic curves the values of observed rate constants for reduction metal ions, slow nucleation and fast autocatalytic growth were determined using Watzky-Finke model. It was found that the addition of polymer affects the rate of the individual stages. The addition of steric stabilizers to gold ions reduced with L-ascorbic acid causes that the process of nucleation and autocatalytic growth slows down and the value of observed rate constants for nucleation changes from 3.79·10–3 (without polymer) to 7.15·10–5s–1 (with PVA) and for growth changes from 1.15·103 (without polymer) to 0.48·102s–1M–1 (with PVA). However, the rate of the reduction reaction of Au(III) ions is practically unchanged. In case of using strong reductant the addition of polymer effects on the shape of kinetic curve for reduction of Au(III) and it suggests that mechanism is changed. In case of Pt(IV) ions reduction with L-ascorbic acid, the process speeds up a little when PVA was added. Determined values of observed rate constants for nucleation and growth platinum nanoparticles decrease twice comparing to the system without polymer. The reduction of Pt(IV) ions with sodium borohydride accelerates when PVP was added and slows down when PVA was used. Moreover, the size of obtained colloidal gold and platinum was also analysed using DLS method. Obtained results (rate constants) may be useful in the process of nanomaterials synthesis, in particular in microflow.
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Abstract

In this paper, the computer modelling application based on the modal expansion method is developed to study the influence of a sound source location on a steady-state response of coupled rooms. In the research, an eigenvalue problem is solved numerically for a room system consisting of two rectangular spaces connected to one another. A numerical procedure enables the computation of shape and frequency of eigenmodes, and allows one to predict the potential and kinetic energy densities in a steady-state. In the first stage, a frequency room response for several source positions is investigated, demonstrating large deformations of this response for strong and weak modal excitations. Next, a particular attention is given to studying how the changes in a source position influence the room response when a source frequency is tuned to a resonant frequency of a strongly localized mode.
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Abstract

The use of torrefied biomass as a substitute for untreated biomass may decrease some technological barriers that exist in biomass co-firing technologies e.g. low grindability, high moisture content, low energy density and hydrophilic nature of raw biomass. In this study the TG-MS-FTIR analysis and kinetic analysis of willow (Salix viminalis L.) and samples torrefied at 200, 220, 240, 260, 280 and 300 °C (TSWE 200, 220, 240, 260, 280 and 300), were performed. The TG-DTG curves show that in the case of willow and torrefied samples TSWE 200, 220, 240 and 260 there are pyrolysis and combustion stages, while in the case of TSWE 280 and 300 samples the peak associated with the pyrolysis process is negligible, in contrast to the peak associated with the combustion process. Analysis of the TG-MS results shows m/z signals of 18, 28, 29 and 44, which probably represent H2O, CO and CO2. The gaseous products were generated in two distinct ranges of temperature. H2O, CO and CO2 were produced in the 500 K to 650 K range with maximum yields at approximately 600 K. In the second range of temperature, 650 K to 800 K, only CO2 was produced with maximum yields at approximately 710 K as a main product of combustion process. Analysis of the FTIR shows that the main gaseous products of the combustion process were H2O, CO2, CO and some organics including bonds: C=O (acids, aldehydes and ketones), C=C (alkenes, aromatics), C-O-C (ethers) and C-OH. Lignin mainly contributes hydrocarbons (3000-2800 cm−1), while cellulose is the dominant origin of aldehydes (2860-2770 cm−1) and carboxylic acids (1790-1650 cm−1). Hydrocarbons, aldehydes, ketones and various acids were also generated from hemicellulose (1790-1650 cm−1). In the kinetic analysis, the two-steps first order model (F1F1) was assumed. Activation energy (Ea) values for the first stage (pyrolysis) increased with increasing torrefaction temperature from 93 to 133 kJ/mol, while for the second stage (combustion) it decreased from 146 to 109 kJ/mol for raw willow, as well as torrefied willow at the temperature range of 200-260°C. In the case of samples torrefied at 280 and 300°C, the Ea values of the first and second stage were comparable to Ea of untreated willow and torrefied at 200°C. It was also found that samples torrefied at a higher temperature, had a higher ignition point and also a shorter burning time.
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Abstract

Reduction of three industrial nickel oxides (Goro, Tokyo and Sinter 75) with a hydrogen bearing gas was revisited in the temperature interval from 523 to 673 K (250 to 400°C). A pronounced incubation period is observed in the temperature interval tested. This period decreases as the reduction temperature increases. Thermogravimetric data of these oxides were fitted using the Avrami-Erofeyev kinetic model. The reduction of these oxides is controlled by a nucleation and growth mechanism of metallic nickel over the oxides structure. Rate kinetic constants were re-evaluated and the activation energy for the reduction of these oxides was re-calculated.
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Abstract

In this work, a design equation was presented for a batch-recirculated photoreactor composed of a packed bed reactor (PBR) with immobilised TiO2-P25 nanoparticle thin films on glass beads, and a continuous-flow stirred tank (CFST). The photoreactor was studied in order to remove C.I. Acid Orange 7 (AO7), a monoazo anionic dye from textile industry, by means of UV/TiO2 process. The effect of different operational parameters such as the initial concentration of contaminant, the volume of solution in CFST, the volumetric flow rate of liquid, and the power of light source in the removal efficiency were examined. A rate equation for the removal of AO7 is obtained by mathematical kinetic modelling. The results of reaction kinetic analysis indicate the conformity of removal kinetics with Langmuir-Hinshelwood model (kL-H = 0.74 mg L-1 min-1, Kads = 0.081 mg-1 L). The represented design equation obtained from mathematical kinetic modelling can properly predict the removal rate constant of the contaminant under different operational conditions (R2 = 0.963). Thus the calculated and experimental results are in good agreement with each other.
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