Search results for: isotherms and kinetics models
Commenced in January 2007
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Edition: International
Paper Count: 2691

Search results for: isotherms and kinetics models

2661 Estimating Reaction Rate Constants with Neural Networks

Authors: Benedek Kovacs, Janos Toth

Abstract:

Solutions are proposed for the central problem of estimating the reaction rate coefficients in homogeneous kinetics. The first is based upon the fact that the right hand side of a kinetic differential equation is linear in the rate constants, whereas the second one uses the technique of neural networks. This second one is discussed deeply and its advantages, disadvantages and conditions of applicability are analyzed in the mirror of the first one. Numerical analysis carried out on practical models using simulated data, and our programs written in Mathematica.

Keywords: Neural networks, parameter estimation, linear regression, kinetic models, reaction rate coefficients.

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2660 Dissolution Leaching Kinetics of Ulexite in Disodium Hydrogen Phosphate Solutions

Authors: Betül Özgenç Kaya, Soner Kuslu, Sabri Çolak, Turan Çalban

Abstract:

Ulexite (Na2O.2CaO.5B2O3.16H2O) is boron mineral that is found in large quantities in the Turkey and world. In this study, the dissolution of this mineral in the disodium hydrogen phosphate solutions has been studied. Temperature, concentration, stirring speed, solid liquid ratio and particle size were selected as parameters. The experimental results were successfully correlated by linear regression using Statistica program. Dissolution curves were evaluated shrinking core models for solid-fluid systems. It was observed that increase in the reaction temperature and decrease in the solid/liquid ratio causes an increase the dissolution rate of ulexite. The activation energy was found to be 63.4 kJ/mol. The leaching of ulexite was controlled by chemical reaction.

Keywords: Disodium hydrogen phosphate, Leaching kinetics, Ulexite.

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2659 Equilibrium, Kinetic and Thermodynamic Studies of Simultaneous Co-Adsorptive Removal of Phenol and Cyanide Using Chitosan

Authors: Bhumica Agarwal, Priya Sengupta, Chandrajit Balomajumder

Abstract:

The present study analyses the potential of acid treated chitosan for simultaneous co-adsorptive removal of phenol and cyanide from a binary waste water solution. The effects of parameters like pH, temperature, initial concentration, adsorbent dose, and adsorbent size were studied. At an optimum pH of 8, temperature of 30⁰C, initial phenol and cyanide concentration of 200 mg/L and 20 mg/L respectively, adsorbent dose of 30 g/L and size between 0.4-0.6 mm the maximum percentage removal of phenol and cyanide was found to be 60.97% and 90.86% respectively. Amongst the adsorption isotherms applied extended Freundlich best depicted the adsorption of both phenol and cyanide based on lowest MPSD value. The kinetics depicted that chemisorption was the adsorption mechanism and intraparticle diffusion is not the only rate controlling step of the reaction. Thermodynamic studies revealed that phenol adsorption was exothermic and spontaneous whereas that of cyanide was an endothermic process.

 

Keywords: Chitosan, Co-adsorption, Cyanide, Phenol.

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2658 Effects of Li2O Thickness and Moisture Content on LiH Hydrolysis Kinetics in Slightly Humidified Argon

Authors: S. Xiao, M. B. Shuai, M. F. Chu

Abstract:

The hydrolysis kinetics of polycrystalline lithium hydride (LiH) in argon at various low humidities was measured by gravimetry and Raman spectroscopy with ambient water concentration ranging from 200 to 1200 ppm. The results showed that LiH hydrolysis curve revealed a paralinear shape, which was attributed to two different reaction stages that forming different products as explained by the 'Layer Diffusion Control' model. Based on the model, a novel two-stage rate equation for LiH hydrolysis reactions was developed and used to fit the experimental data for determination of Li2O steady thickness Hs and the ultimate hydrolysis rate vs. The fitted data presented a rise of Hs as ambient water concentration cw increased. However, in spite of the negative effect imposed by Hs increasing, the upward trend of vs remained, which implied that water concentration, rather than Li2O thickness, played a predominant role in LiH hydrolysis kinetics. In addition, the proportional relationship between vsHs and cw predicted by rate equation and confirmed by gravimetric data validated the model in such conditions.

Keywords: Hydrolysis kinetics, ‘Layer Diffusion Control’ model, Lithium hydride

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2657 Investigation of Dissolution in Diammonium Hydrogen Phosphate Solutions of Gypsum

Authors: Turan Çalban, Nursel Keskin, Sabri Çolak, Soner Kuşlu

Abstract:

Gypsum (CaSO4.2H2O) is a mineral that is found in large quantities in the Turkey and in the World. In this study, the dissolution of this mineral in the diammonium hydrogen phosphate solutions has been studied. The dissolution and dissolution kinetics of gypsum in diammonium hydrogen phosphate solutions will be useful for evaluating of solid wastes containing gypsum. Parameters such as diammonium hydrogen phosphate concentration, temperature and stirring speed affecting on the dissolution rate of the gypsum in diammonium hydrogen phosphate solutions were investigated. In experimental studies have researched effectiveness of the selected parameters. The dissolution of gypsum were examined in two parts at low and high temperatures. The experimental results were successfully correlated by linear regression using Statistica program. Dissolution curves were evaluated shrinking core models for solidfluid systems. The activation energy was found to be 34.58 kJ/mol and 44.45 kJ/mol for the low and the high temperatures. The dissolution of gypsum was controlled by chemical reaction both low temperatures and high temperatures.

Keywords: Diammonium hydrogen phosphate, Dissolution, Gypsum, Kinetics.

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2656 Defluoridation of Water by Schwertmannite

Authors: Aparajita Goswami, Mihir K Purkait

Abstract:

In the present study Schwertmannite (an iron oxide hydroxide) is selected as an adsorbent for defluoridation of water. The adsorbent was prepared by wet chemical process and was characterized by SEM, XRD and BET. The fluoride adsorption efficiency of the prepared adsorbent was determined with respect to contact time, initial fluoride concentration, adsorbent dose and pH of the solution. The batch adsorption data revealed that the fluoride adsorption efficiency was highly influenced by the studied factors. Equilibrium was attained within one hour of contact time indicating fast kinetics and the adsorption data followed pseudo second order kinetic model. Equilibrium isotherm data fitted to both Langmuir and Freundlich isotherm models for a concentration range of 5-30 mg/L. The adsorption system followed Langmuir isotherm model with maximum adsorption capacity of 11.3 mg/g. The high adsorption capacity of Schwertmannite points towards the potential of this adsorbent for fluoride removal from aqueous medium.

Keywords: Adsorption, fluoride, isotherm study, kinetics, schwertmannite.

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2655 Removal of Ciprofloxazin and Carbamazepine by Adsorption on Functionalized Mesoporous Silicates

Authors: Patiparn Punyapalakul, Thitikamon Sitthisorn

Abstract:

Ciprofloxacin (CIP) and Carbamazepine (CBZ), nonbiodegradable pharmaceutical residues, were become emerging pollutants in several aquatic environments. The objectives of this research were to study the possibility to recover these pharmaceuticals residues from pharmaceutical wastewater by increasing the selective adsorption on synthesized functionalized porous silicate, comparing with powdered activated carbon (PAC). Hexagonal mesoporous silicate (HMS), functionalized HMSs (3- aminopropyltriethoxy, 3- mercaptopropyltrimethoxy and noctyldimethyl) were synthesized and characterized physico-chemical characteristics. Obtained adsorption kinetics and isotherms showed that 3-mercaptopropyltrimethoxy functional groups grafted on HMS provided highest CIP and CBZ adsorption capacities; however, it was still lower than that of PAC. The kinetic results were compatible with pseudo-second order. The hydrophobicity and hydrogen bonding might play a key role on the adsorption. Furthermore, the capacities were affected by varying pH values due to the strength of hydrogen bonding between targeted compounds and adsorbents. Electrostatic interaction might not affect the adsorption capacities.

Keywords: Adsorption, Carbamazepine, Ciprofloxazin, Mesoporous Silicates, Surface functional groups

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2654 Decolourization of Melanoidin Containing Wastewater Using South African Coal Fly Ash

Authors: V.O. Ojijo, M.S. Onyango, Aoyi Ochieng, F.A.O. Otieno

Abstract:

Batch adsorption of recalcitrant melanoidin using the abundantly available coal fly ash was carried out. It had low specific surface area (SBET) of 1.7287 m2/g and pore volume of 0.002245 cm3/g while qualitative evaluation of the predominant phases in it was done by XRD analysis. Colour removal efficiency was found to be dependent on various factors studied. Maximum colour removal was achieved around pH 6, whereas increasing sorbent mass from 10g/L to 200 g/L enhanced colour reduction from 25% to 86% at 298 K. Spontaneity of the process was suggested by negative Gibbs free energy while positive values for enthalpy change showed endothermic nature of the process. Non-linear optimization of error functions resulted in Freundlich and Redlich-Peterson isotherms describing sorption equilibrium data best. The coal fly ash had maximum sorption capacity of 53 mg/g and could thus be used as a low cost adsorbent in melanoidin removal.

Keywords: Adsorption, Isotherms, Melanoidin, South African coal fly ash.

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2653 Oxidation of Amitriptyline by Bromamine-T in Acidic Buffer Medium: A Kinetic and Mechanistic Approach

Authors: Chandrashekar, R. T. Radhika, B. M. Venkatesha, S. Ananda, Shivalingegowda, T. S. Shashikumar, H. Ramachandra

Abstract:

The kinetics of the oxidation of amitriptyline (AT) by sodium N-bromotoluene sulphonamide (C6H5SO2NBrNa) has been studied in an acidic buffer medium of pH 1.2 at 303 K. The oxidation reaction of AT was followed spectrophotometrically at maximum wavelength, 410 nm. The reaction rate shows a first order dependence each on concentration of AT and concentration of sodium N-bromotoluene sulphonamide. The reaction also shows an inverse fractional order dependence at low or high concentration of HCl. The dielectric constant of the solvent shows negative effect on the rate of reaction. The addition of halide ions and the reduction product of BAT have no significant effect on the rate. The rate is unchanged with the variation in the ionic strength (NaClO4) of the medium. Addition of reaction mixtures to be aqueous acrylamide solution did not initiate polymerization, indicating the absence of free radical species. The stoichiometry of the reaction was found to be 1:1 and oxidation product of AT is identified. The Michaelis-Menton type of kinetics has been proposed. The CH3C6H5SO2NHBr has been assumed to be the reactive oxidizing species. Thermodynamical parameters were computed by studying the reactions at different temperatures. A mechanism consistent with observed kinetics is presented.

Keywords: Amitriptyline, bromamine-T, kinetics, oxidation.

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2652 Kinetic Study of Thermal Degradation of a Lignin Nanoparticle-Reinforced Phenolic Foam

Authors: Juan C. Domínguez, Belén Del Saz-Orozco, María V. Alonso, Mercedes Oliet, Francisco Rodríguez

Abstract:

In the present study, the kinetics of thermal degradation of a phenolic and lignin reinforced phenolic foams, and the lignin used as reinforcement were studied and the activation energies of their degradation processes were obtained by a DAEM model. The average values for five heating rates of the mean activation energies obtained were: 99.1, 128.2, and 144.0 kJ.mol-1 for the phenolic foam; 109.5, 113.3, and 153.0 kJ.mol-1 for the lignin reinforcement; and 82.1, 106.9, and 124.4 kJ.mol-1 for the lignin reinforced phenolic foam. The standard deviation ranges calculated for each sample were 1.27-8.85, 2.22-12.82, and 3.17-8.11 kJ.mol-1 for the phenolic foam, lignin and the reinforced foam, respectively. The DAEM model showed low mean square errors (<1x10-5), proving that is a suitable model to study the kinetics of thermal degradation of the foams and the reinforcement.

Keywords: Kinetics, lignin, phenolic foam, thermal degradation.

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2651 Kinetics of Polyethylene Terephthalate (PET)and Polystyrene (PS) Dynamic Pyrolysis

Authors: S.M. Al-Salem, P. Lettieri

Abstract:

Thermo-chemical treatment (TCT) such as pyrolysis is getting recognized as a valid route for (i) materials and valuable products and petrochemicals recovery; (ii) waste recycling; and (iii) elemental characterization. Pyrolysis is also receiving renewed attention for its operational, economical and environmental advantages. In this study, samples of polyethylene terephthalate (PET) and polystyrene (PS) were pyrolysed in a microthermobalance reactor (using a thermogravimetric-TGA setup). Both polymers were prepared and conditioned prior to experimentation. The main objective was to determine the kinetic parameters of the depolymerization reactions that occur within the thermal degradation process. Overall kinetic rate constants (ko) and activation energies (Eo) were determined using the general kinetics theory (GKT) method previously used by a number of authors. Fitted correlations were found and validated using the GKT, errors were within ± 5%. This study represents a fundamental step to pave the way towards the development of scaling relationship for the investigation of larger scale reactors relevant to industry.

Keywords: Kinetics, PET, PS, Pyrolysis, Recycling, Petrochemicals.

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2650 Investigation of Drying Kinetics of Viscose Yarn Bobbins

Authors: Ugur Akyol, Dinçer Akal, Ahmet Cihan, Kamil Kahveci

Abstract:

This study is concerned with the investigation of the suitability of several empirical and semi-empirical drying models available in the literature to define drying behavior of viscose yarn bobbins. For this purpose, firstly, experimental drying behaviour of viscose bobbins was determined on an experimental dryer setup which was designed and manufactured based on hot-air bobbin dryers used in textile industry. Afterwards, drying models considered were fitted to the experimentally obtained moisture ratios. Drying parameters were drying temperature and bobbin diameter. The fit was performed by selecting the values for constants in the models in such a way that these values make the sum of the squared differences between the experimental and the model results for moisture ratio minimum. Suitability of fitting was specified as comparing the correlation coefficient, standard error and mean square deviation. The results show that the most appropriate model in describing the drying curves of viscose bobbins is the Page model.

Keywords: Drying, moisture ratio, Page model, viscose

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2649 Students’ Perception of Using Dental e-Models in an Inquiry-Based Curriculum

Authors: Yanqi Yang, Chongshan Liao, Cheuk Hin Ho, Susan Bridges

Abstract:

Aim: To investigate students’ perceptions of using e-models in an inquiry-based curriculum. Approach: 52 second-year dental students completed a pre- and post-test questionnaire relating to their perceptions of e-models and their use in inquiry-based learning. The pre-test occurred prior to any learning with e-models. The follow-up survey was conducted after one year's experience of using e-models. Results: There was no significant difference between the two sets of questionnaires regarding students’ perceptions of the usefulness of e-models and their willingness to use e-models in future inquiry-based learning. Most students preferred using both plaster models and e-models in tandem. Conclusion: Students did not change their attitude towards e-models and most of them agreed or were neutral that e-models are useful in inquiry-based learning. Whilst recognizing the utility of 3D models for learning, students' preference for combining these with solid models has implications for the development of haptic sensibility in an operative discipline.

Keywords: E-models, inquiry-based curriculum, education.

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2648 Kinetics Studies on Biological Treatment of Tannery Wastewater Using Mixed Culture

Authors: G.Durai, N.Rajamohan, C.Karthikeyan, M.Rajasimman

Abstract:

In this study, aerobic digestion of tannery industry wastewater was carried out using mixed culture obtained from common effluent treatment plant treating tannery wastewater. The effect of pH, temperature, inoculum concentration, agitation speed and initial substrate concentration on the reduction of organic matters were found. The optimum conditions for COD reduction was found to be pH - 7 (60%), temperature - 30ÔùªC (61%), inoculum concentration - 2% (61%), agitation speed - 150rpm (65%) and initial substrate concentration - 1560 mg COD/L (74%). Kinetics studies were carried by using Monod model, First order, Diffusional model and Singh model. From the results it was found that the Monod model suits well for the degradation of tannery wastewater using mixed microbial consortium.

Keywords: Tannery, Wastewater, Biological treatment, Aerobic, Mixed culture, Kinetics.

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2647 The Study of Chain Initiation Effect on the Direct Initiation of Detonation

Authors: Masoud Afrand, Saeid Farahat, Mehdi Alamkar

Abstract:

In this research, effect of combustion reaction mechanism on direct initiation of detonation has been studied numerically. For this purpose, reaction mechanism has been simulated by using a three-step chemical kinetics model. The reaction scheme consists sequentially of a chain-initiation and chainbranching step, followed by a temperature -independent chaintermination. In a previous research, the effect of chain-branching on the direct initiation of detonation is studied. In this research effect of chain-initiation on direct initiation of detonation is investigated. For the investigation, first a characteristic time (τ) for each step of mechanism, which includes effect of different kinetics parameters, is defined. Then the effect of characteristic time of chain-initiation (τI) on critical initiation energy is studied. It is seen that increasing τI, causes critical initiation energy to be increased. Drawing detonation's shock pressure diagrams for different cases, shows that in small value of τI , kinetics has more important effect on the behavior of the wave.

Keywords: Detonation initiation, Initiation energy, Reaction rate, Characteristic time.

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2646 Removal of Textile Dye from Industrial Wastewater by Natural and Modified Diatomite

Authors: Hakim Aguedal, Abdelkader Iddou, Abdallah Aziz, Djillali Reda Merouani, Ferhat Bensaleh, Saleh Bensadek

Abstract:

The textile industry produces high amount of colored effluent each year. The management or treatment of these discharges depends on the applied techniques. Adsorption is one of wastewater treatment techniques destined to treat this kind of pollution, and the performance and efficiency predominantly depend on the nature of the adsorbent used. Therefore, scientific research is directed towards the development of new materials using different physical and chemical treatments to improve their adsorption capacities. In the same perspective, we looked at the effect of the heat treatment on the effectiveness of diatomite, which is found in abundance in Algeria. The textile dye Orange Bezaktiv (SRL-150) which is used as organic pollutants in this study is provided by the textile company SOITEXHAM in Oran city (west Algeria). The effect of different physicochemical parameters on the adsorption of SRL-150 on natural and modified diatomite is studied, and the results of the kinetics and adsorption isotherms were modeled.

Keywords: Wastewater treatment, diatomite, adsorption, dye pollution, kinetic, Isotherm.

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2645 Kinetics Study for the Recombinant Cellulosome to the Degradation of Chlorella Cell Residuals

Authors: C.-C. Lin, S.-C. Kan, C.-W. Yeh, C.-I Chen, C.-J. Shieh, Y.-C. Liu

Abstract:

In this study, lipid-deprived residuals of microalgae were hydrolyzed for the production of reducing sugars by using the recombinant Bacillus cellulosome, carrying eight genes from the Clostridium thermocellum ATCC27405. The obtained cellulosome was found to exist mostly in the broth supernatant with a cellulosome activity of 2.4 U/mL. Furthermore, the Michaelis-Menten constant (Km) and Vmax of cellulosome were found to be 14.832 g/L and 3.522 U/mL. The activation energy of the cellulosome to hydrolyze microalgae LDRs was calculated as 32.804 kJ/mol.

Keywords: Lipid-deprived residuals of microalgae, cellulosome, cellulose, reducing sugars, kinetics.

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2644 Experimental Evaluation of Methane Adsorptionon Granular Activated Carbon (GAC) and Determination of Model Isotherm

Authors: M. Delavar, A.A. Ghoreyshi, M. Jahanshahi, M. Irannejad

Abstract:

This study investigates the capacity of granular activated carbon (GAC) for the storage of methane through the equilibrium adsorption. An experimental apparatus consist of a dual adsorption vessel was set up for the measurement of equilibrium adsorption of methane on GAC using volumetric technique (pressure decay). Experimental isotherms of methane adsorption were determined by the measurement of equilibrium uptake of methane in different pressures (0-50 bar) and temperatures (285.15-328.15°K). The experimental data was fitted to Freundlich and Langmuir equations to determine the model isotherm. The results show that the experimental data is equally well fitted by the both model isotherms. Using the experimental data obtained in different temperatures the isosteric heat of methane adsorption was also calculated by the Clausius-Clapeyron equation from the Sips isotherm model. Results of isosteric heat of adsorption show that decreasing temperature or increasing methane uptake by GAC decrease the isosteric heat of methane adsorption.

Keywords: Methane adsorption, Activated carbon, Modelisotherm, Isosteric heat

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2643 Optimization and Kinetic Study of Gaharu Oil Extraction

Authors: Muhammad Hazwan H., Azlina M.F., Hasfalina C.M., Zurina Z.A., Hishamuddin J

Abstract:

Gaharu that produced by Aquilaria spp. is classified as one of the most valuable forest products traded internationally as it is very resinous, fragrant and highly valuable heartwood. Gaharu has been widely used in aromatheraphy, medicine, perfume and religious practices. This work aimed to determine the factors affecting solid liquid extraction of gaharu oil using hexane as solvent under experimental condition. The kinetics of extraction was assumed and verified based on a second-order mechanism. The effect of three main factors, which were temperature, reaction time and solvent to solid ratio were investigated to achieve maximum oil yield. The optimum condition were found at temperature 65°C, 9 hours reaction time and solvent to solid ratio of 12:1 with 14.5% oil yield. The kinetics experimental data agrees and well fitted with the second order extraction model. The initial extraction rate (h) was 0.0115 gmL-1min-1; the extraction capacity (Cs) was 1.282gmL-1; the second order extraction constant (k) was 0.007 mLg-1min-1 and coefficient of determination, R2 was 0.945.

Keywords: Gaharu, solid liquid extraction, optimization, kinetics.

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2642 Kinetic Studies on Microbial Production of Tannase Using Redgram Husk

Authors: S. K. Mohan, T. Viruthagiri, C. Arunkumar

Abstract:

Tannase (tannin acyl hydrolase, E.C.3.1.1.20) is an important hydrolysable enzyme with innumerable applications and industrial potential. In the present study, a kinetic model has been developed for the batch fermentation used for the production of tannase by A.flavus MTCC 3783. Maximum tannase activity of 143.30 U/ml was obtained at 96 hours under optimum operating conditions at 35oC, an initial pH of 5.5 and with an inducer tannic acid concentration of 3% (w/v) for a fermentation period of 120 hours. The biomass concentration reaches a maximum of 6.62 g/l at 96 hours and further there was no increase in biomass concentration till the end of the fermentation. Various unstructured kinetic models were analyzed to simulate the experimental values of microbial growth, tannase activity and substrate concentration. The Logistic model for microbial growth , Luedeking - Piret model for production of tannase and Substrate utilization kinetic model for utilization of substrate were capable of predicting the fermentation profile with high coefficient of determination (R2) values of 0.980, 0.942 and 0.983 respectively. The results indicated that the unstructured models were able to describe the fermentation kinetics more effectively.

Keywords: Aspergillus flavus, Batch fermentation, Kinetic model, Tannase, Unstructured models.

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2641 Non-Isothermal Kinetics of Crystallization and Phase Transformation of SiO2-Al2O3-P2O5-CaO-CaF Glass

Authors: Bogdan Il. Bogdanov, Plamen S. Pashev, Yancho H. Hristov, Dimitar P.Georgiev, Irena G. Markovska

Abstract:

The crystallization kinetics and phase transformation of SiO2.Al2O3.0,56P2O5.1,8CaO.0,56CaF2 glass have been investigated using differential thermal analysis (DTA), x-ray diffraction (XRD), and scanning electron microscopy (SEM). Glass samples were obtained by melting the glass mixture at 14500С/120 min. in platinum crucibles. The mixture were prepared from chemically pure reagents: SiO2, Al(OH)3, H3PO4, CaCO3 and CaF2. The non-isothermal kinetics of crystallization was studied by applying the DTA measurements carried out at various heating rates. The activation energies of crystallization and viscous flow were measured as 348,4 kJ.mol–1 and 479,7 kJ.mol–1 respectively. Value of Avrami parameter n ≈ 3 correspond to a three dimensional of crystal growth mechanism. The major crystalline phase determined by XRD analysis was fluorapatite (Ca(PO4)3F) and as the minor phases – fluormargarite (CaAl2(Al2SiO2)10F2) and vitlokite (Ca9P6O24). The resulting glass-ceramic has a homogeneous microstructure, composed of prismatic crystals, evenly distributed in glass phase.

Keywords: glass-ceramic, crystallization, non-isothermalkinetics, Avrami parameter

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2640 Modeling and Simulating Reaction-Diffusion Systems with State-Dependent Diffusion Coefficients

Authors: Paola Lecca, Lorenzo Dematte, Corrado Priami

Abstract:

The present models and simulation algorithms of intracellular stochastic kinetics are usually based on the premise that diffusion is so fast that the concentrations of all the involved species are homogeneous in space. However, recents experimental measurements of intracellular diffusion constants indicate that the assumption of a homogeneous well-stirred cytosol is not necessarily valid even for small prokaryotic cells. In this work a mathematical treatment of diffusion that can be incorporated in a stochastic algorithm simulating the dynamics of a reaction-diffusion system is presented. The movement of a molecule A from a region i to a region j of the space is represented as a first order reaction Ai k- ! Aj , where the rate constant k depends on the diffusion coefficient. The diffusion coefficients are modeled as function of the local concentration of the solutes, their intrinsic viscosities, their frictional coefficients and the temperature of the system. The stochastic time evolution of the system is given by the occurrence of diffusion events and chemical reaction events. At each time step an event (reaction or diffusion) is selected from a probability distribution of waiting times determined by the intrinsic reaction kinetics and diffusion dynamics. To demonstrate the method the simulation results of the reaction-diffusion system of chaperoneassisted protein folding in cytoplasm are shown.

Keywords: Reaction-diffusion systems, diffusion coefficient, stochastic simulation algorithm.

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2639 Pyrolysis Characteristics and Kinetics of Macroalgae Biomass Using Thermogravimetric Analyzer

Authors: Zhao Hui, Yan Huaxiao, Zhang Mengmeng, Qin Song

Abstract:

The pyrolysis characteristics and kinetics of seven marine biomass, which are fixed Enteromorpha clathrata, floating Enteromorpha clathrata, Ulva lactuca L., Zosterae Marinae L., Thallus Laminariae, Asparagus schoberioides kunth and Undaria pinnatifida (Harv.), were studied with thermogravimetric analysis method. Simultaneously, cornstalk, which is a grass biomass, and sawdust, which is a lignocellulosic biomass, were references. The basic pyrolysis characteristics were studied by using TG- DTG-DTA curves. The results showed that there were three stages (dehydration, dramatic weight loss and slow weight loss) during the whole pyrolysis process of samples. The Tmax of marine biomass was significantly lower than two kinds of terrestrial biomass. Zosterae Marinae L. had a relatively high stability of pyrolysis, but floating Enteromorpha clathrata had lowest stability of pyrolysis and a good combustion characteristics. The corresponding activation energy E and frequency factor A were obtained by Coats-Redfern method. It was found that the pyrolysis reaction mechanism functions of three kinds of biomass are different.

Keywords: macroalgae biomass, pyrolysis, thermogravimetric analysis, thermolysis kinetics.

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2638 Kinetics of Aggregation in Media with Memory

Authors: A. Brener, B. Balabekov, N. Zhumataev

Abstract:

In the paper we submit the non-local modification of kinetic Smoluchowski equation for binary aggregation applying to dispersed media having memory. Our supposition consists in that that intensity of evolution of clusters is supposed to be a function of the product of concentrations of the lowest orders clusters at different moments. The new form of kinetic equation for aggregation is derived on the base of the transfer kernels approach. This approach allows considering the influence of relaxation times hierarchy on kinetics of aggregation process in media with memory.

Keywords: Binary aggregation, Media with memory, Non-local model, Relaxation times

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2637 Chemical Leaching of Metals from Landfill’s Fine Fraction

Authors: E. Balkauskaitė, A. Bučinskas, R. Ivanauskas, M. Kriipsalu, G. Denafas

Abstract:

Leaching of heavy metals (chromium, zinc, copper) from the fine fraction of the Torma landfill (Estonia) was investigated. The leaching kinetics studies have determined the dependence of some metal’s concentration on the leaching time. Metals were leached with Aqua Regia, distilled water and EDTA (Ethylenediaminetetraacetic acid); process was most intensive 2 hours after the start of the experiment, except for copper with EDTA (0.5 h) and lead with EDTA (4 h). During leaching, steady concentrations of Fe, Mn, Cd and Pb were fully stabilized after 8 h; however concentrations of Cu and Ni were not stabilized after 10 h.

Keywords: Landfills, fine fraction, leached metals, leaching kinetics.

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2636 Reaction Kinetics of Biodiesel Production from Refined Cottonseed Oil Using Calcium Oxide

Authors: Ude N. Callistus, Amulu F. Ndidi, Onukwuli D. Okechukwu, Amulu E. Patrick

Abstract:

Power law approximation was used in this study to evaluate the reaction orders of calcium oxide, CaO catalyzed transesterification of refined cottonseed oil and methanol. The kinetics study was carried out at temperatures of 45, 55 and 65 oC. The kinetic parameters such as reaction order 2.02 and rate constant 2.8 hr-1g-1cat, obtained at the temperature of 65 oC best fitted the kinetic model. The activation energy, Ea obtained was 127.744 KJ/mol. The results indicate that the transesterification reaction of the refined cottonseed oil using calcium oxide catalyst is approximately second order reaction.

Keywords: Refined cottonseed oil, transesterification, CaO, heterogeneous catalysts, kinetic model.

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2635 Competitive Adsorption of Heavy Metals onto Natural and Activated Clay: Equilibrium, Kinetics and Modeling

Authors: L. Khalfa, M. Bagane, M. L. Cervera, S. Najjar

Abstract:

The aim of this work is to present a low cost adsorbent for removing toxic heavy metals from aqueous solutions. Therefore, we are interested to investigate the efficiency of natural clay minerals collected from south Tunisia and their modified form using sulfuric acid in the removal of toxic metal ions: Zn(II) and Pb(II) from synthetic waste water solutions. The obtained results indicate that metal uptake is pH-dependent and maximum removal was detected to occur at pH 6. Adsorption equilibrium is very rapid and it was achieved after 90 min for both metal ions studied. The kinetics results show that the pseudo-second-order model describes the adsorption and the intraparticle diffusion models are the limiting step. The treatment of natural clay with sulfuric acid creates more active sites and increases the surface area, so it showed an increase of the adsorbed quantities of lead and zinc in single and binary systems. The competitive adsorption study showed that the uptake of lead was inhibited in the presence of 10 mg/L of zinc. An antagonistic binary adsorption mechanism was observed. These results revealed that clay is an effective natural material for removing lead and zinc in single and binary systems from aqueous solution.

Keywords: Lead, zinc heavy metal, activated clay, kinetic study, competitive adsorption, modeling.

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2634 A Kinetic Study on the Adsorption of Cd(II) and Zn(II) Ions from Aqueous Solutions on Zeolite NaA

Authors: Dimitar Georgiev, Bogdan Bogdanov, Irena Markovska, Yancho Hristov, Dencho Stanev

Abstract:

The present paper reports the removal of Cd(II) and Zn(II) ions using synthetic Zeolit NaA. The adsorption capacity of the sorbent (Zeolite NaA) strongly depends on simultaneous or not simultaneous (concurrent) presence of Cd(II) and Zn(II) in the sorbate. When Cd(II) and Zn(II) are present simultaneously (concurrently) in the sorbate, Zn(II) ions were sorbed at higher rate. Equilibrium data fitted Langmuir, Freundlich and Tempkin isotherms well. The applicability of the isotherm equation to describe the adsorption process was judged by the correlation coefficients R2. The Langmuir model yielded the best fit with R2 values equal to or higher than 0.970, as compared to the Freundlich and Tempkin models. The fact that 1/n values range from 0.322 to 0.755 indicates that the adsorption of Cd(II) and Zn(II) ions from aqueous solutions also favored by the Freundlich model.

Keywords: Adsorption, adsorption capacity, kinetic sorption, Zeolite NaA

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2633 Removal of Boron from Waste Waters by Ion- Exchange in a Batch System

Authors: Pelin Demirçivi, Gülhayat Nasün-Saygılı

Abstract:

Boron minerals are very useful for various industrial activities, such as glass industry and detergent industry, due to its mechanical and chemical properties. During the production of boron compounds, many of these are introduced into the environment in the form of waste. Boron is also an important micro nutrient for the plants to vegetate but if it exists in high concentrations, it could have toxic effects. The maximum boron level in drinking water for human health is given as 0.3 mg/L in World Health Organization (WHO) standards. The toxic effects of boron should be noted especially for dry regions, thus, in recent years, increasing attention has been paid to remove the boron from waste waters. In this study, boron removal is implemented by ion exchange process using Amberlite IRA-743 resin. Amberlite IRA-743 resin is a boron specific resin and it belongs to the polymerizate sorbent group within the aminopolyol functional group. Batch studies were performed to investigate the effects of various experimental parameters, such as adsorbent dose, initial concentration and pH, on the removal of boron. It is found that, when the adsorbent dose increases removal of boron from the liquid phase increases. However, an increase in the initial concentration decreases the removal of boron. The effective pH values for removal of boron are determined between 8.5 and 9. Equilibrium isotherms were also analyzed by Langmuir and Freundlich isotherm models. The Langmuir isotherm is obeyed better than the Freundlich isotherm.

Keywords: Amberlite resin, boron removal, ion exchange, isotherm models.

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2632 Comparative Kinetic Study on Alkylation of p-cresol with Tert-butyl Alcohol using Different SO3-H Functionalized Ionic Liquid Catalysts

Authors: Pandian Elavarasan, Kishore Kondamudi, Sreedevi Upadhyayula

Abstract:

Ionic liquids are well known as green solvents, reaction media and catalysis. Here, three different sulfonic acid functional ionic liquids prepared in the laboratory are used as catalysts in alkylation of p-cresol with tert-butyl alcohol. The kinetics on each of the catalysts was compared and a kinetic model was developed based on the product distribution over these catalysts. The kinetic parameters were estimated using Marquadt's algorithm to minimize the error function. The Arrhenius plots show a curvature which is best interpreted by the extended Arrhenius equation.

Keywords: Alkylation, p-cresol, tert-butyl alcohol, kinetics, activation parameter, extended Arrhenius equation.

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