Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 32

Search results for: rate constant

32 Speciation Analysis by Solid-Phase Microextraction and Application to Atrazine

Authors: K. Benhabib, X. Pierens, V-D Nguyen, G. Mimanne

Abstract:

The main hypothesis of the dynamics of solid phase microextraction (SPME) is that steady-state mass transfer is respected throughout the SPME extraction process. It considers steady-state diffusion is established in the two phases and fast exchange of the analyte at the solid phase film/water interface. An improved model is proposed in this paper to handle with the situation when the analyte (atrazine) is in contact with colloid suspensions (carboxylate latex in aqueous solution). A mathematical solution is obtained by substituting the diffusion coefficient by the mean of diffusion coefficient between analyte and carboxylate latex, and also thickness layer by the mean thickness in aqueous solution. This solution provides an equation relating the extracted amount of the analyte to the extraction a little more complicated than previous models. It also gives a better description of experimental observations. Moreover, the rate constant of analyte obtained is in satisfactory agreement with that obtained from the initial curve fitting.

Keywords: Pesticide, SPME methods, polyacrylate, steady state.

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31 Sorption of Congo Red from Aqueous Solution by Surfactant-Modified Bentonite: Kinetic and Factorial Design Study

Authors: B. Guezzen, M. A. Didi, B. Medjahed

Abstract:

An organoclay (HDTMA-B) was prepared from sodium bentonite (Na-B). The starting material was modified using the hexadecyltrimethylammonium ion (HDTMA+) in the amounts corresponding to 100 % of the CEC value. Batch experiments were carried out in order to model and optimize the sorption of Congo red dye from aqueous solution. The pseudo-first order and pseudo-second order kinetic models have been developed to predict the rate constant and the sorption capacity at equilibrium with the effect of temperature, the solid/solution ratio and the initial dye concentration. The equilibrium time was reached within 60 min. At room temperature (20 °C), optimum dye sorption of 49.4 mg/g (98.9%) was achieved at pH 6.6, sorbent dosage of 1g/L and initial dye concentration of 50 mg/L, using surfactant modified bentonite. The optimization of adsorption parameters mentioned above on dye removal was carried out using Box-Behnken design. The sorption parameters were analyzed statistically by means of variance analysis by using the Statgraphics Centurion XVI software.

Keywords: Adsorption, dye, factorial design, kinetic, organo-bentonite.

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30 Component Comparison of Polyaluminum Chloride Produced from Various Methods

Authors: Wen Po Cheng, Chia Yun Chung, Ruey Fang Yu, Chao Feng Chen

Abstract:

The main objective of this research was to study the differences of aluminum hydrolytic products between two PACl preparation methods. These two methods were the acidification process of freshly formed amorphous Al(OH)3 and the conventional alkalization process of aluminum chloride solution. According to Ferron test and 27Al NMR analysis of those two PACl preparation procedures, the reaction rate constant (k) values and Al13 percentage of acid addition process at high basicity value were both lower than those values of the alkaline addition process. The results showed that the molecular structure and size distribution of the aluminum species in both preparing methods were suspected to be significantly different at high basicity value.

Keywords: Polyaluminum chloride, Al13, amorphous aluminum hydroxide, Ferron test.

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29 Degradation of Amitriptyline Hydrochloride, Methyl Salicylate and 2-Phenoxyethanol in Water Systems by the Combination UV/Cl2

Authors: F. Javier Benitez, Francisco J. Real, Juan Luis Acero, Francisco Casas

Abstract:

Three emerging contaminants (amitriptyline hydrochloride, methyl salicylate and 2-phenoxyethanol) frequently found in waste-waters were selected to be individually degraded in ultra-pure water by the combined advanced oxidation process constituted by UV radiation and chlorine. The influence of pH, initial chlorine concentration and nature of the contaminants was firstly explored. The trend for the reactivity of the selected compounds was deduced: amitriptyline hydrochloride > methyl salicylate > 2-phenoxyethanol. A later kinetic study was carried out and focused on the specific evaluation of the first-order rate constants and the determination of the partial contribution to the global reaction of the direct photochemical pathway and the radical pathway. A comparison between the rate constant values among photochemical experiments without and with the presence of Cl2 reveals a clear increase in the oxidation efficiency of the combined process with respect to the photochemical reaction alone. In a second stage, the simultaneous oxidation of mixtures of the selected contaminants in several types of water (ultrapure water, surface water from a reservoir, and two secondary effluents) was also performed by the same combination UV/Cl2 under more realistic operating conditions. The efficiency of this combined system UV/Cl2 was compared to other oxidants such as the UV/S2O82- and UV/H2O2 AOPs. Results confirmed that the UV/Cl2 system provides higher elimination efficiencies among the AOPs tested.

Keywords: Emerging contaminants, amitriptyline, methyl salicylate, 2-phenoxyethanol, chlorination, photolysis, rate constants, UV/chlorine advanced oxidation process.

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28 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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27 Continuous Fixed Bed Reactor Application for Decolourization of Textile Effluent by Adsorption on NaOH Treated Eggshell

Authors: M. Chafi, S. Akazdam, C. Asrir, L. Sebbahi, B. Gourich, N. Barka, M. Essahli

Abstract:

Fixed bed adsorption has become a frequently used industrial application in wastewater treatment processes. Various low cost adsorbents have been studied for their applicability in treatment of different types of effluents. In this work, the intention of the study was to explore the efficacy and feasibility for azo dye, Acid Orange 7 (AO7) adsorption onto fixed bed column of NaOH Treated eggshell (TES). The effect of various parameters like flow rate, initial dye concentration, and bed height were exploited in this study. The studies confirmed that the breakthrough curves were dependent on flow rate, initial dye concentration solution of AO7 and bed depth. The Thomas, Yoon–Nelson, and Adams and Bohart models were analysed to evaluate the column adsorption performance. The adsorption capacity, rate constant and correlation coefficient associated to each model for column adsorption was calculated and mentioned. The column experimental data were fitted well with Thomas model with coefficients of correlation R2 ≥0.93 at different conditions but the Yoon–Nelson, BDST and Bohart–Adams model (R2=0.911), predicted poor performance of fixed-bed column. The (TES) was shown to be suitable adsorbent for adsorption of AO7 using fixed-bed adsorption column.

Keywords: Adsorption models, acid orange 7, bed depth, breakthrough, dye adsorption, fixed-bed column, treated eggshell.

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26 Investigating the Process Kinetics and Nitrogen Gas Production in Anammox Hybrid Reactor with Special Emphasis on the Role of Filter Media

Authors: Swati Tomar, Sunil Kumar Gupta

Abstract:

Anammox is a novel and promising technology that has changed the traditional concept of biological nitrogen removal. The process facilitates direct oxidation of ammonical nitrogen under anaerobic conditions with nitrite as an electron acceptor without addition of external carbon sources. The present study investigated the feasibility of Anammox Hybrid Reactor (AHR) combining the dual advantages of suspended and attached growth media for biodegradation of ammonical nitrogen in wastewater. Experimental unit consisted of 4 nos. of 5L capacity AHR inoculated with mixed seed culture containing anoxic and activated sludge (1:1). The process was established by feeding the reactors with synthetic wastewater containing NH4-H and NO2-N in the ratio 1:1 at HRT (hydraulic retention time) of 1 day. The reactors were gradually acclimated to higher ammonium concentration till it attained pseudo steady state removal at a total nitrogen concentration of 1200 mg/l. During this period, the performance of the AHR was monitored at twelve different HRTs varying from 0.25-3.0 d with increasing NLR from 0.4 to 4.8 kg N/m3d. AHR demonstrated significantly higher nitrogen removal (95.1%) at optimal HRT of 1 day. Filter media in AHR contributed an additional 27.2% ammonium removal in addition to 72% reduction in the sludge washout rate. This may be attributed to the functional mechanism of filter media which acts as a mechanical sieve and reduces the sludge washout rate many folds. This enhances the biomass retention capacity of the reactor by 25%, which is the key parameter for successful operation of high rate bioreactors. The effluent nitrate concentration, which is one of the bottlenecks of anammox process was also minimised significantly (42.3-52.3 mg/L). Process kinetics was evaluated using first order and Grau-second order models. The first-order substrate removal rate constant was found as 13.0 d-1. Model validation revealed that Grau second order model was more precise and predicted effluent nitrogen concentration with least error (1.84±10%). A new mathematical model based on mass balance was developed to predict N2 gas in AHR. The mass balance model derived from total nitrogen dictated significantly higher correlation (R2=0.986) and predicted N2 gas with least error of precision (0.12±8.49%). SEM study of biomass indicated the presence of heterogeneous population of cocci and rod shaped bacteria of average diameter varying from 1.2-1.5 mm. Owing to enhanced NRE coupled with meagre production of effluent nitrate and its ability to retain high biomass, AHR proved to be the most competitive reactor configuration for dealing with nitrogen laden wastewater.

Keywords: Anammox, filter media, kinetics, nitrogen removal.

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25 Modeling the Time-Dependent Rheological Behavior of Clays Used in Fabrication of Ceramic

Authors: L. Hammadi, N. Boudjenane, R. Houdjedje, R. Reffis, M. Belhadri

Abstract:

In this study, we investigated the thixotropic behavior of two clays used in fabrication of ceramic. The structural kinetic model (SKM) was used to characterize the thixotropic behavior of two different kinds of clays used in fabrication of ceramic. The SKM postulates that the change in the rheological behavior is associated with shear-induced breakdown of the internal structure of the clays. This model for the structure decay with time at constant shear rate assumes nth order kinetics for the decay of the material structure with a rate constant.

Keywords: Ceramic, clays, structural kinetic model, thixotropy, viscosity.

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24 Kinetic and Removable of Amoxicillin Using Aliquat336 as a Carrier via a HFSLM

Authors: Teerapon Pirom, Ura Pancharoen

Abstract:

Amoxicillin is an antibiotic which is widely used to treat various infections in both human beings and animals. However, when amoxicillin is released into the environment, it is a major problem. Amoxicillin causes bacterial resistance to these drugs and failure of treatment with antibiotics. Liquid membrane is of great interest as a promising method for the separation and recovery of the target ions from aqueous solutions due to the use of carriers for the transport mechanism, resulting in highly selectivity and rapid transportation of the desired metal ions. The simultaneous processes of extraction and stripping in a single unit operation of liquid membrane system are very interesting. Therefore, it is practical to apply liquid membrane, particularly the HFSLM for industrial applications as HFSLM is proved to be a separation process with lower capital and operating costs, low energy and extractant with long life time, high selectivity and high fluxes compared with solid membranes. It is a simple design amenable to scaling up for industrial applications. The extraction and recovery for (Amoxicillin) through the hollow fiber supported liquid membrane (HFSLM) using aliquat336 as a carrier were explored with the experimental data. The important variables affecting on transport of amoxicillin viz. extractant concentration and operating time were investigated. The highest AMOX- extraction percentages of 85.35 and Amoxicillin stripping of 80.04 were achieved with the best condition at 6 mmol/L [aliquat336] and operating time 100 min. The extraction reaction order (n) and the extraction reaction rate constant (kf) were found to be 1.00 and 0.0344 min-1, respectively.

Keywords: Aliquat336, amoxicillin, HFSLM, kinetic.

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23 Pulse Generator with Constant Pulse Width

Authors: Hanif Che Lah, Wee Leong Son, Rozita Borhan

Abstract:

This paper is about method to produce a stable and accurate constant output pulse width regardless of the amplitude, period and pulse width variation of the input signal source. The pulse generated is usually being used in numerous applications as the reference input source to other circuits in the system. Therefore, it is crucial to produce a clean and constant pulse width to make sure the system is working accurately as expected.

Keywords: Amplitude, Constant Pulse Width, Frequency Divider, Pulse Generator.

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22 Estimation of Bio-Kinetic Coefficients for Treatment of Brewery Wastewater

Authors: Abimbola M. Enitan, Josiah Adeyemo

Abstract:

Anaerobic modeling is a useful tool to describe and simulate the condition and behaviour of anaerobic treatment units for better effluent quality and biogas generation. The present investigation deals with the anaerobic treatment of brewery wastewater with varying organic loads. The chemical oxygen demand (COD) and total suspended solids (TSS) of the influent and effluent of the bioreactor were determined at various retention times to generate data for kinetic coefficients. The bio-kinetic coefficients in the modified Stover–Kincannon kinetic and methane generation models were determined to study the performance of anaerobic digestion process. At steady-state, the determination of the kinetic coefficient (K), the endogenous decay coefficient (Kd), the maximum growth rate of microorganisms (μmax), the growth yield coefficient (Y), ultimate methane yield (Bo), maximum utilization rate constant Umax and the saturation constant (KB) in the model were calculated to be 0.046 g/g COD, 0.083 (d¯¹), 0.117 (d-¹), 0.357 g/g, 0.516 (L CH4/gCODadded), 18.51 (g/L/day) and 13.64 (g/L/day) respectively. The outcome of this study will help in simulation of anaerobic model to predict usable methane and good effluent quality during the treatment of industrial wastewater. Thus, this will protect the environment, conserve natural resources, saves time and reduce cost incur by the industries for the discharge of untreated or partially treated wastewater. It will also contribute to a sustainable long-term clean development mechanism for the optimization of the methane produced from anaerobic degradation of waste in a close system.

Keywords: Brewery wastewater, methane generation model, environment, anaerobic modeling.

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21 A Numerical Model to Study the Rapid Buffering Approximation near an Open Ca2+ Channel for an Unsteady State Case

Authors: Leena Sharma

Abstract:

Chemical reaction and diffusion are important phenomena in quantitative neurobiology and biophysics. The knowledge of the dynamics of calcium Ca2+ is very important in cellular physiology because Ca2+ binds to many proteins and regulates their activity and interactions Calcium waves propagate inside cells due to a regenerative mechanism known as calcium-induced calcium release. Buffer-mediated calcium diffusion in the cytosol plays a crucial role in the process. A mathematical model has been developed for calcium waves by assuming the buffers are in equilibrium with calcium i.e., the rapid buffering approximation for a one dimensional unsteady state case. This model incorporates important physical and physiological parameters like dissociation rate, diffusion rate, total buffer concentration and influx. The finite difference method has been employed to predict [Ca2+] and buffer concentration time course regardless of the calcium influx. The comparative studies of the effect of the rapid buffered diffusion and kinetic parameters of the model on the concentration time course have been performed.

Keywords: Calcium Profile, Rapid Buffering Approximation, Influx, Dissociation rate constant.

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20 Kinetics of Cu (II) Transport through Bulk Liquid Membrane with Different Membrane Materials

Authors: Siu Hua Chang, Ayub Md Som, Jagannathan Krishnan

Abstract:

The kinetics of Cu(II) transport through a bulk liquid membrane with different membrane materials was investigated in this work. Three types of membrane materials were used: fresh cooking oil, waste cooking oil and kerosene, each of which was mixed with di-2-ethylhexylphosphoric acid (carrier) and tributylphosphate (modifier). Kinetic models derived from the kinetic laws of two consecutive irreversible first-order reactions were used to study the facilitated transport of Cu(II) across the source, membrane and receiving phases of bulk liquid membrane. It was found that the transport kinetics of Cu(II) across the source phase was not affected by different types of membrane materials but decreased considerably when the membrane materials changed from kerosene, waste cooking oil to fresh cooking oil. The rate constants of Cu(II) removal and recovery processes through the bulk liquid membrane were also determined.

Keywords: Transport kinetics, Cu(II), bulk liquid membrane, waste cooking oil.

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19 Potential of Agro-Waste Extracts as Supplements for the Continuous Bioremediation of Free Cyanide Contaminated Wastewater

Authors: Seteno K. O. Ntwampe, Bruno A. Q. Santos

Abstract:

Different agricultural waste peels were assessed for their suitability to be used as primary substrates for the bioremediation of free cyanide (CN-) by a cyanide-degrading fungus Aspergillus awamori isolated from cyanide containing wastewater. The bioremediated CN- concentration were in the range of 36 to 110 mg CN-/L, with Orange (C. sinensis) > Carrot (D. carota) > Onion (A. cepa) > Apple (M. pumila), being chosen as suitable substrates for large scale CN- degradation processes due to: 1) the high concentration of bioremediated CN-, 2) total reduced sugars released into solution to sustain the biocatalyst, and 3) minimal residual NH4- N concentration after fermentation. The bioremediation rate constants (k) were 0.017h-1 (0h < t < 24h), with improved bioremediation rates (0.02189h-1) observed after 24h. The averaged nitrilase activity was ~10 U/L.

Keywords: Agricultural waste, Bioremediation, Cyanide, Wastewater.

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18 The Influence of Low Power Microwave Radiation on the Growth Rate of Listeria Monocytogenes

Authors: Renzo Carta, Francesco Desogus

Abstract:

Variations in the growth rate constant of the Listeria monocytogenes bacterial species were determined at 37°C in irradiated environments and compared to the situation of a nonirradiated environment. The bacteria cells, contained in a suspension made of a nutrient solution of Brain Heart Infusion, were made to grow at different frequency (2.30e2.60 GHz) and power (0e400 mW) values, in a plug flow reactor positioned in the irradiated environment. Then the reacting suspension was made to pass into a cylindrical cuvette where its optical density was read every 2.5 minutes at a wavelength of 600 nm. The obtained experimental data of optical density vs. time allowed the bacterial growth rate constant to be derived; this was found to be slightly influenced by microwave power, but not by microwave frequency; in particular, a minimum value was found for powers in the 50e150 mW field.

Keywords: Growth rate constant, irradiated environment, Listeria monocytogenes, microwaves, plug flow reactor.

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17 Equilibrium, Kinetic and Thermodynamic Studies on Biosorption of Cd (II) and Pb (II) from Aqueous Solution Using a Spore Forming Bacillus Isolated from Wastewater of a Leather Factory

Authors: Sh. Kianfar, A. Moheb, H. Ghaforian

Abstract:

The equilibrium, thermodynamics and kinetics of the biosorption of Cd (II) and Pb(II) by a Spore Forming Bacillus (MGL 75) were investigated at different experimental conditions. The Langmuir and Freundlich, and Dubinin-Radushkevich (D-R) equilibrium adsorption models were applied to describe the biosorption of the metal ions by MGL 75 biomass. The Langmuir model fitted the equilibrium data better than the other models. Maximum adsorption capacities q max for lead (II) and cadmium (II) were found equal to 158.73mg/g and 91.74 mg/g by Langmuir model. The values of the mean free energy determined with the D-R equation showed that adsorption process is a physiosorption process. The thermodynamic parameters Gibbs free energy (ΔG°), enthalpy (ΔH°), and entropy (ΔS°) changes were also calculated, and the values indicated that the biosorption process was exothermic and spontaneous. Experiment data were also used to study biosorption kinetics using pseudo-first-order and pseudo-second-order kinetic models. Kinetic parameters, rate constants, equilibrium sorption capacities and related correlation coefficients were calculated and discussed. The results showed that the biosorption processes of both metal ions followed well pseudo-second-order kinetics.

Keywords: biosorption, kinetics, Metal ion removal, thermodynamics

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16 Bioconversion of Biodiesel Derived Crude Glycerol by Immobilized Clostridium pasteurianum: Effect of Temperature

Authors: Swati Khanna, Arun Goyal, Vijayanand S. Moholkar

Abstract:

Batch fermentation of 5, 10 and 25 g/L biodiesel derived crude glycerol was carried out at 30, 37 and 450C by Clostridium pasteurianum cells immobilized on silica. Maximum yield of 1,3-propanediol (PDO) (0.60 mol/mol), and ethanol (0.26 mol/mol) were obtained from 10 g/L crude glycerol at 30 and 370C respectively. Maximum yield of butanol (0.28 mol/mol substrate added) was obtained at 370C with 25 g/L substrate. None of the three products were detected at 45oC even after 10 days of fermentation. Only traces of ethanol (0.01 mol/mol) were detected at 450C with 5 g/L substrate. The results obtained for 25 g/L substrate utilization were fitted in first order rate equation to obtain the values of rate constant at three different temperatures for bioconversion of glycerol. First order rate constants for bioconversion of glycerol at 30, 37 and 45oC were found to be 0.198, 0.294 and 0.029/day respectively. Activation energy (Ea) for crude glycerol bioconversion was calculated to be 57.62 kcal/mol.

Keywords: activation energy, Clostridium pasteurianum, crude glycerol, immobilization

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15 Removal of Iron from Groundwater by Sulfide Precipitation

Authors: H. Jusoh, N. Sapari, R.Z. Raja Azie

Abstract:

Iron in groundwater is one of the problems that render the water unsuitable for drinking. The concentration above 0.3 mg/L is common in groundwater. The conventional method of removal is by precipitation under oxic condition. In this study, iron removal under anaerobic conditions was examined by batch experiment as a main purpose. The process involved by purging of groundwater samples with H2S to form iron sulfide. Removal up to 83% for 1 mg/L iron solution was achieved. The removal efficiency dropped to 82% and 75% for the higher initial iron concentrations 3.55 and 5.01 mg/L, respectively. The average residual sulfide concentration in water after the process was 25*g/L. The Eh level during the process was -272 mV. The removal process was found to follow the first order reaction with average rate constant of 4.52 x 10-3. The half-life for the concentrations to reduce from initial values was 157 minutes.

Keywords: Anaerobic, chemical kinetics, hydrogen sulfide, iron, rate constant

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14 Optimization of Reaction Rate Parameters in Modeling of Heavy Paraffins Dehydrogenation

Authors: Leila Vafajoo, Farhad Khorasheh, Mehrnoosh Hamzezadeh Nakhjavani, Moslem Fattahi

Abstract:

In the present study, a procedure was developed to determine the optimum reaction rate constants in generalized Arrhenius form and optimized through the Nelder-Mead method. For this purpose, a comprehensive mathematical model of a fixed bed reactor for dehydrogenation of heavy paraffins over Pt–Sn/Al2O3 catalyst was developed. Utilizing appropriate kinetic rate expressions for the main dehydrogenation reaction as well as side reactions and catalyst deactivation, a detailed model for the radial flow reactor was obtained. The reactor model composed of a set of partial differential equations (PDE), ordinary differential equations (ODE) as well as algebraic equations all of which were solved numerically to determine variations in components- concentrations in term of mole percents as a function of time and reactor radius. It was demonstrated that most significant variations observed at the entrance of the bed and the initial olefin production obtained was rather high. The aforementioned method utilized a direct-search optimization algorithm along with the numerical solution of the governing differential equations. The usefulness and validity of the method was demonstrated by comparing the predicted values of the kinetic constants using the proposed method with a series of experimental values reported in the literature for different systems.

Keywords: Dehydrogenation, Pt-Sn/Al2O3 Catalyst, Modeling, Nelder-Mead, Optimization

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13 Oxidation of Selected Pharmaceuticals in Water Matrices by Bromine and Chlorine

Authors: Juan L. Acero, F. Javier Benitez, Francisco J. Real, Gloria Roldan, Francisco Casas

Abstract:

The bromination of five selected pharmaceuticals (metoprolol, naproxen, amoxicillin, hydrochlorotiazide and phenacetin) in ultrapure water and in three water matrices (a groundwater, a surface water from a public reservoir and a secondary effluent from a WWTP) was investigated. The apparent rate constants for the bromination reaction were determined as a function of the pH, and the sequence obtained for the reaction rate was amoxicillin > naproxen >> hydrochlorotiazide ≈ phenacetin ≈ metoprolol. The proposal of a kinetic mechanism, which specifies the dissociation of bromine and each pharmaceutical according to their pKa values and the pH allowed the determination of the intrinsic rate constants for every elementary reaction. The influence of the main operating conditions (pH, initial bromine dose, and the water matrix) on the degradation of pharmaceuticals was established. In addition, the presence of bromide in chlorination experiments was investigated. The presence of bromide in wastewaters and drinking waters in the range of 10 to several hundred μg L-1 accelerated slightly the oxidation of the selected pharmaceuticals during chorine disinfection.

Keywords: Pharmaceuticals, bromine, chlorine, apparent andintrinsic rate constants, water matrices, degradation rates

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12 Congo Red Photocatalytic Decolourization using Modified Titanium

Authors: A. López–Vásquez, D. Santamaría, M. Tibatá, C. Gómez

Abstract:

A study concerning the photocatalytic decolourization of Congo red (CR) dye, over artificial UV irradiation is presented. Photocatalysts based on a commercial titanium dioxide (TiO2) modified with transition metals (Ni, Cu and Zn) were used. The dopage method used was wet impregnation. A TiO2 sample without salt was subjected to the same hydrothermal treatment to be used as reference. Congo red solutions to several pH conditions (natural and basic) were used to evaluate photocatalytic performance of each doped catalysts. Photodecolourization percentage was measured spectrofotrometically after 3 h of treatment to 499 nm as response variable. Kinetics investigations of photodegradation indicated that reactions obey to Langmuir-Hinshelwood model and pseudo–first order law. The rate constant studies of photocatalytic decolourization reactions for Zn–TiO2 and Cu–TiO2 photocatalysts indicated that in all cases the rate constant of the reaction was higher than that of TiO2 undoped. These results show that nature of the metal modifying the TiO2 influence on the efficiency of the photocatalyst evaluated in process. Ni does not present an additional effect compared with TiO2, while Zn enhances the photoactivity due to its electronic properties.

Keywords: Congo red, Dopage, Photodecolourization, Titanium dioxide.

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11 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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10 The Kinetic of Biogas Production Rate from Cattle Manure in Batch Mode

Authors: Budiyono, I N. Widiasa, S. Johari, Sunarso

Abstract:

In this study, the kinetic of biogas production was studied by performing a series laboratory experiment using rumen fluid of animal ruminant as inoculums. Cattle manure as substrate was inoculated by rumen fluid to the anaerobic biodigester. Laboratory experiments using 400 ml biodigester were performed in batch operation mode. Given 100 grams of fresh cattle manure was fed to each biodigester and mixed with rumen fluid by manure : rumen weight ratio of 1:1 (MR11). The operating temperatures were varied at room temperature and 38.5 oC. The cumulative volume of biogas produced was used to measure the biodigester performance. The research showed that the rumen fluid inoculated to biodigester gave significant effect to biogas production (P<0.05). Rumen fluid inoculums caused biogas production rate and efficiency increase two to three times in compare to manure substrate without rumen fluid. With the rumen fluid inoculums, gave the kinetic parameters of biogas production i.e biogas production rate constants (U), maximum biogas production (A), and minimum time to produce biogas (λ) are 3.89 ml/(gVS.day); 172.51 (ml/gVS); dan 7.25 days, respectively. While the substrate without rumen fluid gave the kinetic parameters U, A, and λ are 1.74 ml/(gVS.day); 73.81 (ml/gVS); dan 14.75 days, respectively. The future work will be carried out to study the dynamics of biogas production if both the rumen inoculums and manure are fed in the continuous system.

Keywords: rumen fluid, inoculums, anaerobic digestion, biogasproduction.

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9 Removal of Phenylurea Herbicides from Waters by using Chemical Oxidation Treatments

Authors: F. Javier Benitez, Carolina Garcia, Juan Luis Acero, Francisco J. Real

Abstract:

Four phenylurea herbicides (isoproturon, chlortoluron, diuron and linuron) were dissolved in different water matrices in order to study their chemical degradation by using UV radiation, ozone and some advanced oxidation processes (UV/H2O2, O3/H2O2, Fenton reagent and the photo- Fenton system). The waters used were: ultra-pure water, a commercial mineral water, a groundwater and a surface water taken from a reservoir. Elimination levels were established for each herbicide and for several global quality parameters, and a kinetic study was performed in order to determine basic kinetic parameters of each reaction between the target phenylureas and these oxidizing systems.

Keywords: Phenylurea herbicides, UV radiation; Ozone, Fenton reagent, Hydroxyl radicals, Rate constants, Quantum yields

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8 Catalytic Decomposition of Potassium Monopersulfate. The Kinetics

Authors: Olga Gimeno, Javier Rivas, Maria Carbajo, Teresa Borralho

Abstract:

Potassium monopersulfate has been decomposed in aqueous solution in the presence of Co(II). The process has been simulated by means of a mechanism based on elementary reactions. Rate constants have been taken from literature reports or, alternatively, assimilated to analogous reactions occurring in Fenton's chemistry. Several operating conditions have been successfully applied.

Keywords: Monopersulfate, Oxone®, Sulfate radicals, Water treatment

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7 An Experimental Study on the Effect of Premixed and Equivalence Ratios on CO and HC Emissions of Dual Fuel HCCI Engine

Authors: M. Ghazikhani, M. R. Kalateh, Y. K. Toroghi, M. Dehnavi

Abstract:

In this study, effects of premixed and equivalence ratios on CO and HC emissions of a dual fuel HCCI engine are investigated. Tests were conducted on a single-cylinder engine with compression ratio of 17.5. Premixed gasoline is provided by a carburetor connected to intake manifold and equipped with a screw to adjust premixed air-fuel ratio, and diesel fuel is injected directly into the cylinder through an injector at pressure of 250 bars. A heater placed at inlet manifold is used to control the intake charge temperature. Optimal intake charge temperature results in better HCCI combustion due to formation of a homogeneous mixture, therefore, all tests were carried out over the optimum intake temperature of 110-115 ºC. Timing of diesel fuel injection has a great effect on stratification of in-cylinder charge and plays an important role in HCCI combustion phasing. Experiments indicated 35 BTDC as the optimum injection timing. Varying the coolant temperature in a range of 40 to 70 ºC, better HCCI combustion was achieved at 50 ºC. Therefore, coolant temperature was maintained 50 ºC during all tests. Simultaneous investigation of effective parameters on HCCI combustion was conducted to determine optimum parameters resulting in fast transition to HCCI combustion. One of the advantages of the method studied in this study is feasibility of easy and fast transition of typical diesel engine to a dual fuel HCCI engine. Results show that increasing premixed ratio, while keeping EGR rate constant, increases unburned hydrocarbon (UHC) emissions due to quenching phenomena and trapping of premixed fuel in crevices, but CO emission decreases due to increase in CO to CO2 reactions.

Keywords: Dual fuel HCCI engine, premixed ratio, equivalenceratio, CO and UHC emissions.

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6 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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5 Kinetic, Thermodynamic and Process Modeling of Synthesis of UV Curable Glyceryl and Neopentyl Glycol Acrylates

Authors: R. D. Kulkarni, Mayur Chaudhari, S. Mishra

Abstract:

Curing of paints by exposure to UV radiations is emerging as one of the best film forming technique as an alternative to traditional solvent borne oxidative and thermal curing coatings. The composition and chemistry of UV curable coatings and role of multifunctional and monofunctional monomers, oligomers, and photoinitiators have been discussed. The limitations imposed by thermodynamic equilibrium and tendency for acrylic double bond polymerizations during synthesis of multifunctional acrylates have been presented. Aim of present investigation was thus to explore the reaction variables associated with synthesis of multifunctional acrylates. Zirconium oxychloride was evaluated as catalyst against regular acid functional catalyst. The catalyzed synthesis of glyceryl acrylate and neopentyl glycol acrylate was conducted by variation of following reaction parameters: two different reactant molar ratios- 1:4 and 1:6; catalyst usage in % by moles on polyol- 2.5, 5.0 and 7.5 and two different reaction temperatures- 45 and 75 0C. The reaction was monitored by determination of acid value and hydroxy value at regular intervals, besides TLC, HPLC, and FTIR analysis of intermediates and products. On the basis of determination of reaction progress over 1-60 hrs, the esterification reaction was observed to follow 2nd order kinetics with rate constant varying from 1*10-4 to 7*10-4. The thermal and catalytic components of second order rate constant and energy of activation were also determined. Uses of these kinetic and thermodynamic parameters in design of reactor for manufacture of multifunctional acrylate ester have been presented. The synthesized multifunctional acrylates were used to formulate and apply UV curable clear coat followed by determination of curing characteristics and mechanical properties of cured film. The overall curing rates less than 05 min. were easily attained indicating economical viability of radiation curable system due to faster production schedules

Keywords: glyceryl acrylate, neopentyl glycol acrylate, kinetic modeling, zirconium oxychloride.

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4 Study of Kinetics Incorporation of Ag with TCPP

Authors: Rahmatollah Rahimi, Fariba Moharrami

Abstract:

The Kinetics formation of labile Complex Ag (I) tetra (p-carboxyphenyl) porphyrin, was investigated at 25oC and I=0.1M (NaNO3). By spectrophotometric titration, the composition ratio of the complex was established to be 2:1 (Ag : H2TCPP). The equilibrium constant, K, was found to be log 10-6.53. Binding of the first Ag (I) was found to be rate determining step with rate constant, k1= 4.67×102 . A plausible mechanism is discussed. We discus theoretically why Ag(I)2TCPP is unstable.

Keywords: Kinetics, Silver, TCPP, Sitting-atop, Theoretical study

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3 Stochastic Simulation of Reaction-Diffusion Systems

Authors: Paola Lecca, Lorenzo Dematte

Abstract:

Reactiondiffusion systems are mathematical models that describe how the concentration of one or more substances distributed in space changes under the influence of local chemical reactions in which the substances are converted into each other, and diffusion which causes the substances to spread out in space. The classical representation of a reaction-diffusion system is given by semi-linear parabolic partial differential equations, whose general form is ÔêétX(x, t) = DΔX(x, t), where X(x, t) is the state vector, D is the matrix of the diffusion coefficients and Δ is the Laplace operator. If the solute move in an homogeneous system in thermal equilibrium, the diffusion coefficients are constants that do not depend on the local concentration of solvent and of solutes and on local temperature of the medium. In this paper a new stochastic reaction-diffusion model in which the diffusion coefficients are function of the local concentration, viscosity and frictional forces of solvent and solute is presented. Such a model provides a more realistic description of the molecular kinetics in non-homogenoeus and highly structured media as the intra- and inter-cellular spaces. The movement of a molecule A from a region i to a region j of the space is described as a first order reaction Ai k- → Aj , where the rate constant k depends on the diffusion coefficient. Representing the diffusional motion as a chemical reaction allows to assimilate a reaction-diffusion system to a pure reaction system and to simulate it with Gillespie-inspired stochastic simulation algorithms. 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 specific speed of reaction and diffusion events. Redi is the software tool, developed to implement the model of reaction-diffusion kinetics and dynamics. It is a free software, that can be downloaded from http://www.cosbi.eu. To demonstrate the validity of the new reaction-diffusion model, the simulation results of the chaperone-assisted protein folding in cytoplasm obtained with Redi are reported. This case study is redrawing the attention of the scientific community due to current interests on protein aggregation as a potential cause for neurodegenerative diseases.

Keywords: Reaction-diffusion systems, Fick's law, stochastic simulation algorithm.

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