Search results for: isotherms and kinetics models
Commenced in January 2007
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Edition: International
Paper Count: 2656

Search results for: isotherms and kinetics models

2656 Equilibrium, Kinetics and Thermodynamic Studies for Adsorption of Hg (II) on Palm Shell Powder

Authors: Shilpi Kushwaha, Suparna Sodaye, P. Padmaja

Abstract:

Palm shell obtained from coastal part of southern India was studied for the removal for the adsorption of Hg (II) ions. Batch adsorption experiments were carried out as a function of pH, concentration of Hg (II) ions, time, temperature and adsorbent dose. Maximum removal was seen in the range pH 4.0- pH 7.0. The palm shell powder used as adsorbent was characterized for its surface area, SEM, PXRD, FTIR, ion exchange capacity, moisture content, and bulk density, soluble content in water and acid and pH. The experimental results were analyzed using Langmuir I, II, III, IV and Freundlich adsorption isotherms. The batch sorption kinetics was studied for the first order reversible reaction, pseudo first order; pseudo second order reaction and the intra-particle diffusion reaction. The biomass was successfully used for removal Hg (II) from synthetic and industrial effluents and the technique appears industrially applicable and viable.

Keywords: Biosorbent, mercury removal, borassus flabellifer, isotherms, kinetics, palm shell.

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2655 Kinetics and Thermodynamics Adsorption of Phenolic Compounds on Organic-Inorganic Hybrid Mesoporous Material

Authors: Makhlouf Mourad, Messabih Sidi Mohamed, Bouchher Omar, Houali Farida, Benrachedi Khaled

Abstract:

Mesoporous materials are very commonly used as adsorbent materials for removing phenolic compounds. However, the adsorption mechanism of these compounds is still poorly controlled. However, understanding the interactions mesoporous materials/adsorbed molecules is very important in order to optimize the processes of liquid phase adsorption. The difficulty of synthesis is to keep an orderly and cubic pore structure and achieve a homogeneous surface modification. The grafting of Si(CH3)3 was chosen, to transform hydrophilic surfaces hydrophobic surfaces. The aim of this work is to study the kinetics and thermodynamics of two volatile organic compounds VOC phenol (PhOH) and P hydroxy benzoic acid (4AHB) on a mesoporous material of type MCM-48 grafted with an organosilane of the Trimethylchlorosilane (TMCS) type, the material thus grafted or functionalized (hereinafter referred to as MCM-48-G). In a first step, the kinetic and thermodynamic study of the adsorption isotherms of each of the VOCs in mono-solution was carried out. In a second step, a similar study was carried out on a mixture of these two compounds. Kinetic models (pseudo-first order, pseudo-second order) were used to determine kinetic adsorption parameters. The thermodynamic parameters of the adsorption isotherms were determined by the adsorption models (Langmuir, Freundlich). The comparative study of adsorption of PhOH and 4AHB proved that MCM-48-G had a high adsorption capacity for PhOH and 4AHB; this may be related to the hydrophobicity created by the organic function of TMCS in MCM-48-G. The adsorption results for the two compounds using the Freundlich and Langmuir models show that the adsorption of 4AHB was higher than PhOH. The values ​​obtained by the adsorption thermodynamics show that the adsorption interactions for our sample with the phenol and 4AHB are of a physical nature. The adsorption of our VOCs on the MCM-48 (G) is a spontaneous and exothermic process.

Keywords: Adsorption, kinetics, isotherm, mesoporous materials, TMCS, phenol, P-hydroxy benzoic acid.

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2654 The Effect of Modification and Initial Concentration on Ammonia Removal from Leachate by Zeolite

Authors: Fulya Aydın, Ayşe Kuleyin

Abstract:

The purpose of this study is to investigate the capacity of natural Turkish zeolite for NH4-N removal from landfill leachate. The effects of modification and initial concentration on the removal of NH4-N from leachate were also investigated. The kinetics of adsorption of NH4-N has been discussed using three kinetic models, i.e., the pseudo-second order model, the Elovich equation, the intraparticle diffuion model. Kinetic parameters and correlation coefficients were determined. Equilibrium isotherms for the adsorption of NH4-N were analyzed by Langmuir, Freundlich and Tempkin isotherm models. Langmuir isotherm model was found to best represent the data for NH4-N.

Keywords: Leachate, Ammonium, zeolite

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2653 Modelling of Hydric Behaviour of Textiles

Authors: A. Marolleau, F. Salaun, D. Dupont, H. Gidik, S. Ducept.

Abstract:

The goal of this study is to analyze the hydric behaviour of textiles which can impact significantly the comfort of the wearer. Indeed, fabrics can be adapted for different climate if hydric and thermal behaviors are known. In this study, fabrics are only submitted to hydric variations. Sorption and desorption isotherms obtained from the dynamic vapour sorption apparatus (DVS) are fitted with the parallel exponential kinetics (PEK), the Hailwood-Horrobin (HH) and the Brunauer-Emmett-Teller (BET) models. One of the major finding is the relationship existing between PEK and HH models. During slow and fast processes, the sorption of water molecules on the polymer can be in monolayer and multilayer form. According to the BET model, moisture regain, a physical property of textiles, show a linear correlation with the total amount of water taken in monolayer. This study provides potential information of the end uses of these fabrics according to the selected activity level.

Keywords: Comfort, hydric properties, modelling, underwear.

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2652 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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2651 Adsorption of Methylene Blue from Aqueous Solution on the Surface of Znapso-34 Nanoporous Material

Authors: B. Abbad, A. Lounis, Tassalit Djilali

Abstract:

The effects of equilibrium time, solution pH, and sorption temperature of cationic methylene blue (MB) adsorption on nanoporous metallosilicoaluminophosphate ZnAPSO-34 was studied using a batch equilibration method. UV–VIS spectroscopy was used to obtain the adsorption isotherms at 20° C. The optimum period for adsorption was 300 min. However, MB removal increased from 81,82 % to 94,81 %. The equilibrium adsorption data was analyzed by using Langmuir, Freundlich and Temkin isotherm models. Langmuir isotherm was found to be the better-fitting model and the process followed pseudo second–order kinetics. The results showed that ZnAPSO-34 could be employed as an effective material and could be an attractive alternative for the removal of dyes and colors from aqueous solutions.

Keywords: Adsorption, Dye, Metallosilicoaluminophosphate, Methylene Blue.

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2650 Use of Agricultural Waste for the Removal of Nickel Ions from Aqueous Solutions: Equilibrium and Kinetics Studies

Authors: Manjeet Bansal, Diwan Singh, V.K.Garg, Pawan Rose

Abstract:

The potential of economically cheaper cellulose containing natural materials like rice husk was assessed for nickel adsorption from aqueous solutions. The effects of pH, contact time, sorbent dose, initial metal ion concentration and temperature on the uptake of nickel were studied in batch process. The removal of nickel was dependent on the physico-chemical characteristics of the adsorbent, adsorbate concentration and other studied process parameters. The sorption data has been correlated with Langmuir, Freundlich and Dubinin-Radush kevich (D-R) adsorption models. It was found that Freundlich and Langmuir isotherms fitted well to the data. Maximum nickel removal was observed at pH 6.0. The efficiency of rice husk for nickel removal was 51.8% for dilute solutions at 20 g L-1 adsorbent dose. FTIR, SEM and EDAX were recorded before and after adsorption to explore the number and position of the functional groups available for nickel binding on to the studied adsorbent and changes in surface morphology and elemental constitution of the adsorbent. Pseudo-second order model explains the nickel kinetics more effectively. Reusability of the adsorbent was examined by desorption in which HCl eluted 78.93% nickel. The results revealed that nickel is considerably adsorbed on rice husk and it could be and economic method for the removal of nickel from aqueous solutions.

Keywords: Adsorption, nickel, SEM, EDAX.

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2649 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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2648 Investigation and Evalution of Swelling Kinetics Related to Biocopolymers Based on CMC poly(AA-co BuMC)

Authors: Mohammad Sadeghi, Behrouz Heidari, Korush Montazeri

Abstract:

In this paper, we have focused on study of swelling kinetics and salt-sensitivity behavior of a superabsorbing hydrogel based on carboxymethylcellulose (CMC) and acrylic acid and 2- Buthyl methacrylate. The swelling kinetics of the hydrogels with various particle sizes was preliminary investigated as well. The swelling of the hydrogel showed a second order kinetics of swelling in water. In addition, swelling measurements of the synthesized hydrogels in various chloride salt solutions was measured. Results indicated that a swelling-loss with an increase in the ionic strength of the salt solutions.

Keywords: Carboxymethylcellulose, swelling kinetics, 2-hydroxypropylmetacrylate, acrylic acid.

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2647 Recycling Poultry Feathers for Pb Removal from Wastewater: Kinetic and Equilibrium Studies

Authors: G. de la Rosa, H. E. Reynel-Avila, A. Bonilla-Petriciolet, I. Cano-Rodríguez, C. Velasco-Santos, and A. L. Martínez-Hernández

Abstract:

Chicken feathers were used as biosorbent for Pb removal from aqueous solution. In this paper, the kinetics and equilibrium studies at several pH, temperature, and metal concentration values are reported. For tested conditions, the Pb sorption capacity of this poultry waste ranged from 0.8 to 8.3 mg/g. Optimal conditions for Pb removal by chicken feathers have been identified. Pseudo-first order and pseudo-second order equations were used to analyze the experimental data. In addition, the sorption isotherms were fitted to classical Langmuir and Freundlich models. Finally, thermodynamic parameters for the sorption process have been determined. In summary, the results showed that chicken feathers are an alternative and promising sorbent for the treatment of effluents polluted by Pb ions.

Keywords: Sorption, chicken feathers, Pb, water treatment.

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2646 Biosorption of Azo Dye Reactive Black B onto Nonviable Biomass of Cladosporium cladosporioides LM1: Thermodynamic, Kinetic and Equilibrium Modeling

Authors: L. A. S. Dionel, B. A. P. Santos, V. C. P. Lopes, L. G. Vasconcelos, M. A. Soares, E. B. Morais

Abstract:

This study investigated the biosorption of the azo dye reactive Black B (RBB) from aqueous solution using the nonviable biomass of Cladosporium cladosporioides LM1. The biosorption systems were carried out in batch mode considering different conditions of initial pH, contact time, temperature, initial dye concentration and biosorbent dosage. Higher removal rate of RBB was obtained at pH 2. Biosorption data were successfully described by pseudo-second-order kinetic model and Langmuir isotherm model with the maximum monolayer biosorption capacity estimated at 71.43 mg/g. The values of thermodynamic parameters such as ∆G°, ∆H° and ∆S° indicated that the biosorption of RBB onto fungal biomass was spontaneous and exothermic in nature. It can be concluded that nonviable biomass of Cladosporium cladosporioides LM1 may be an attractive low-cost biosorbent for the removal of azo dye RBB from aqueous solution.

Keywords: Color removal, isotherms and kinetics models, thermodynamic studies, fungus.

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2645 Study of Adsorption Isotherm Models on Rare Earth Elements Biosorption for Separation Purposes

Authors: Nice Vasconcelos Coimbra, Fábio dos Santos Gonçalves, Marisa Nascimento, Ellen Cristine Giese

Abstract:

The development of chemical routes for the recovery and separation of rare earth elements (REE) is seen as a priority and strategic action by several countries demanding these elements. Among the possibilities of alternative routes, the biosorption process has been evaluated in our laboratory. In this theme, the present work attempts to assess and fit the solution equilibrium data in Langmuir, Freundlich and DKR isothermal models, based on the biosorption results of the lanthanum and samarium elements by Bacillus subtilis immobilized on calcium alginate gel. It was observed that the preference of adsorption of REE by the immobilized biomass followed the order Sm (III)> La (III). It can be concluded that among the studied isotherms models, the Langmuir model presented better mathematical results than the Freundlich and DKR models.

Keywords: Rare earth elements, biosorption, Bacillus subtilis, adsorption isotherm models.

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2644 Kinetics of Hydrodesulphurization of Diesel: Mass Transfer Aspects

Authors: Sudip K. Ganguly

Abstract:

In order to meet environmental norms, Indian fuel policy aims at producing ultra low sulphur diesel (ULSD) in near future. A catalyst for meeting such requirements has been developed and kinetics of this catalytic process is being looked into. In the present investigations, effect of mass transfer on kinetics of ultra deep hydrodesulphurization (UDHDS) to produce ULSD has been studied to determine intrinsic kinetics over a pre-sulphided catalyst. Experiments have been carried out in a continuous flow micro reactor operated in the temperature range of 330 to 3600C, whsv of 1 hr-1 at a pressure of 35 bar, and its parameters estimated. Based on the derived rate expression and estimated parameters optimum operation range has been determined for this UDHDS catalyst to obtain ULSD product.

Keywords: Diesel, hydrodesulphurization, kinetics, mass transfer.

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2643 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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2642 Dissolution Leaching Kinetics of Ulexite in Sodium Dihydrogen Phosphate Solutions

Authors: Emine Teke, Soner Kuşlu, Sabri Çolak, Turan Çalban

Abstract:

The aim of the present study was to investigate the dissolution kinetics of ulexite in sodium dihydrogen phosphate in a mechanical agitation system and also to declare an alternative reactant to produce the boric acid. Reaction temperature, concentration of sodium dihydrogen phosphate, stirring speed, solid-liquid ratio, and ulexite particle size were selected as parameters. The experimental results were successfully correlated by using linear regression and a statistical program. Dissolution curves were evaluated in order to test the 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 in the dissolution rate of ulexite. The activation energy was found to be 36.4 kJ/mol. The leaching of ulexite was controlled by diffusion through the ash (or product) layer.

Keywords: Sodium dihydrogen phosphate, leaching kinetics, ulexite.

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2641 Adsorption of Ferrous and Ferric Ions in Aqueous and Industrial Effluent onto Pongamia pinnata Tree Bark

Authors: M. Mamatha, H. B. Aravinda, E. T. Puttaiah, S. Manjappa

Abstract:

One of the causes of water pollution is the presence of heavy metals in water. In the present study, an adsorbent prepared from the raw bark of the Pongamia pinnata tree is used for the removal of ferrous or ferric ions from aqueous and waste water containing heavy metals. Adsorption studies were conducted at different pH, concentration of metal ion, amount of adsorbent, contact time, agitation and temperature. The Langmuir and Freundlich adsorption isotherm models were applied for the results. The Langmuir isotherms were best fitted by the equilibrium data. The maximum adsorption was found to 146mg/g in waste water at a temperature of 30°C which is in agreement as comparable to the adsorption capacity of different adsorbents reported in literature. Pseudo second order model best fitted the adsorption of both ferrous and ferric ions.

Keywords: Adsorption, Adsorption isotherms, Heavy metals, Industrial effluents.

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2640 Rigorous Modeling of Fixed-Bed Reactors Containing Finite Hollow Cylindrical Catalyst with Michaelis-Menten Type of Kinetics

Authors: Mohammad Asif

Abstract:

A large number of chemical, bio-chemical and pollution-control processes use heterogeneous fixed-bed reactors. The use of finite hollow cylindrical catalyst pellets can enhance conversion levels in such reactors. The absence of the pellet core can significantly lower the diffusional resistance associated with the solid phase. This leads to a better utilization of the catalytic material, which is reflected in the higher values for the effectiveness factor, leading ultimately to an enhanced conversion level in the reactor. It is however important to develop a rigorous heterogeneous model for the reactor incorporating the two-dimensional feature of the solid phase owing to the presence of the finite hollow cylindrical catalyst pellet. Presently, heterogeneous models reported in the literature invariably employ one-dimension solid phase models meant for spherical catalyst pellets. The objective of the paper is to present a rigorous model of the fixed-bed reactors containing finite hollow cylindrical catalyst pellets. The reaction kinetics considered here is the widely used Michaelis–Menten kinetics for the liquid-phase bio-chemical reactions. The reaction parameters used here are for the enzymatic degradation of urea. Results indicate that increasing the height to diameter ratio helps to improve the conversion level. On the other hand, decreasing the thickness is apparently not as effective. This could however be explained in terms of the higher void fraction of the bed that causes a smaller amount of the solid phase to be packed in the fixed-bed bio-chemical reactor.

Keywords: Fixed-bed reactor, Finite hollow cylinder, Catalyst pellet, Conversion, Michaelis-Menten kinetics.

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2639 Intrinsic Kinetics of Methanol Dehydration over Al2O3 Catalyst

Authors: Liang Zhang, Hai-Tao Zhang, W ei-Yong Ying, Ding-Ye Fang

Abstract:

Dehydration of methanol to dimethyl ether (DME) over a commercial Al2O3 catalyst was studied in an isothermal integral fixed bed reactor. The experiments were performed on the temperature interval 513-613 K, liquid hourly space velocity (LHSV) of 0.9-2.1h-1, pressures between 0.1 and 1.0 MPa. The effect of different operation conditions on the dehydration of methanol was investigated in a laboratory scale experiment. A new intrinsic kinetics equation based on the mechanism of Langmuir-Hinshelwood dissociation adsorption was developed for the dehydration reaction by fitting the expressions to the experimental data. An activation energy of 67.21 kJ/mol was obtained for the catalyst with the best performance. Statistic test showed that this new intrinsic kinetics equation was acceptable.

Keywords: catalyst, dimethyl ether, intrinsic kinetics, methanol

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2638 Description of Kinetics of Propane Fragmentation with a Support of Ab Initio Simulation

Authors: Amer Al Mahmoud Alsheikh, Jan Žídek, František Krčma

Abstract:

Using ab initio theoretical calculations, we present analysis of fragmentation process. The analysis is performed in two steps. The first step is calculation of fragmentation energies by ab initio calculations. The second step is application of the energies to kinetic description of process. The energies of fragments are presented in this paper. The kinetics of fragmentation process can be described by numerical models. The method for kinetic analysis is described in this paper. The result - composition of fragmentation products - will be calculated in future. The results from model can be compared to the concentrations of fragments from mass spectrum.

Keywords: Ab initio, Density functional theory, Fragmentation energy, Geometry optimization.

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2637 Removal of Copper (II) from Aqueous Solutions Using Teak (Tectona grandis L.f) Leaves

Authors: S. Rathnakumar, R. Y. Sheeja, T. Murugesan

Abstract:

The experiments were performed in a batch set up under different concentrations of Cu (II) (0.2 g.l-1 to 0.9 g.l-1), pH (4- 6), temperatures (20oC – 40oC) with varying teak leaves powder (as biosorbent) dosage of 0.3 g.l-1 to 0.5 g.l-1. The kinetics of interactions were tested with pseudo first order Lagergran equation and the value for k1 was found to be 6.909 x 10-3 min-1. The biosorption data gave a good fit with Langmuir and Fruendlich isotherms and the Langmuir monolayer capacity (qm) was found to be 166.78 mg. g-1. Similarly the Freundlich adsorption capacity (Kf) was estimated as 2.49 l g-1. The mean values of the thermodynamic parameters ΔH, ΔS, and ΔG were -62.42 KJ. mol-1, -0.219 KJ.mol-1 K-1 and -1.747 KJ.mol-1 at 293 K from a solution containing 0.4 g l-1 of Cu(II) showing the biosorption to be thermodynamically favourable. These results show good potentiality of using teak leaves as a biosorbent for the removal of Cu(II) from aqueous solutions.

Keywords: Teak leaves, Cu(II) removal, biosorption, Lagergran, Langmuir, Fruendlich isotherm.

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2636 Global Kinetics of Direct Dimethyl Ether Synthesis Process from Syngas in Slurry Reactor over a Novel Cu-Zn-Al-Zr Slurry Catalyst

Authors: Zhen Chen, Haitao Zhang, Weiyong Ying, Dingye Fang

Abstract:

The direct synthesis process of dimethyl ether (DME) from syngas in slurry reactors is considered to be promising because of its advantages in caloric transfer. In this paper, the influences of operating conditions (temperature, pressure and weight hourly space velocity) on the conversion of CO, selectivity of DME and methanol were studied in a stirred autoclave over Cu-Zn-Al-Zr slurry catalyst, which is far more suitable to liquid phase dimethyl ether synthesis process than bifunctional catalyst commercially. A Langmuir- Hinshelwood mechanism type global kinetics model for liquid phase DME direct synthesis based on methanol synthesis models and a methanol dehydration model has been investigated by fitting our experimental data. The model parameters were estimated with MATLAB program based on general Genetic Algorithms and Levenberg-Marquardt method, which is suitably fitting experimental data and its reliability was verified by statistical test and residual error analysis.

Keywords: alcohol/ether fuel, Cu-Zn-Al-Zr slurry catalyst, global kinetics, slurry reactor

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2635 Formulation and in vitro Evaluation of Sustained Release Matrix Tablets of Levetiracetam for Better Epileptic Treatment

Authors: Nagasamy Venkatesh Dhandapani

Abstract:

The objective of the present study was to develop sustained release oral matrix tablets of anti epileptic drug levetiracetam. The sustained release matrix tablets of levetiracetam were prepared using hydrophilic matrix hydroxypropyl methylcellulose (HPMC) as a release retarding polymer by wet granulation method. Prior to compression, FTIR studies were performed to understand the compatibility between the drug and excipients. The study revealed that there was no chemical interaction between drug and excipients used in the study. The tablets were characterized by physical and chemical parameters and results were found in acceptable limits. In vitro release study was carried out for the tablets using 0.1 N HCl for 2 hours and in phosphate buffer pH 7.4 for remaining time up to 12 hours. The effect of polymer concentration was studied. Different dissolution models were applied to drug release data in order to evaluate release mechanisms and kinetics. The drug release data fit well to zero order kinetics. Drug release mechanism was found as a complex mixture of diffusion, swelling and erosion.

Keywords: Levetiracetam, sustained-release, hydrophilic matrix tablet, HPMC grade K 100 MCR, wet granulation, zero order release kinetics.

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2634 Establishment of Kinetic Zone Diagrams via Simulated Linear Sweep Voltammograms for Soluble-Insoluble Systems

Authors: Imene Atek, Abed M. Affoune, Hubert Girault, Pekka Peljo

Abstract:

Due to the need for a rigorous mathematical model that can help to estimate kinetic properties for soluble-insoluble systems, through voltammetric experiments, a Nicholson Semi Analytical Approach was used in this work for modeling and prediction of theoretical linear sweep voltammetry responses for reversible, quasi reversible or irreversible electron transfer reactions. The redox system of interest is a one-step metal electrodeposition process. A rigorous analysis of simulated linear scan voltammetric responses following variation of dimensionless factors, the rate constant and charge transfer coefficients in a broad range was studied and presented in the form of the so called kinetic zones diagrams. These kinetic diagrams were divided into three kinetics zones. Interpreting these zones leads to empirical mathematical models which can allow the experimenter to determine electrodeposition reactions kinetics whatever the degree of reversibility. The validity of the obtained results was tested and an excellent experiment–theory agreement has been showed.

Keywords: Electrodeposition, kinetics diagrams, modeling, voltammetry.

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2633 Modeling and Simulation for Physical Vapor Deposition: Multiscale Model

Authors: Jürgen Geiser, Robert Röhle

Abstract:

In this paper we present modeling and simulation for physical vapor deposition for metallic bipolar plates. In the models we discuss the application of different models to simulate the transport of chemical reactions of the gas species in the gas chamber. The so called sputter process is an extremely sensitive process to deposit thin layers to metallic plates. We have taken into account lower order models to obtain first results with respect to the gas fluxes and the kinetics in the chamber. The model equations can be treated analytically in some circumstances and complicated multi-dimensional models are solved numerically with a software-package (UG unstructed grids, see [1]). Because of multi-scaling and multi-physical behavior of the models, we discuss adapted schemes to solve more accurate in the different domains and scales. The results are discussed with physical experiments to give a valid model for the assumed growth of thin layers.

Keywords: Convection-diffusion equations, multi-scale problem, physical vapor deposition, reaction equations, splitting methods.

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2632 The Influence of Surface Potential on the Kinetics of Bovine Serum Albumin Adsorption on a Biomedical Grade 316LVM Stainless Steel Surface

Authors: Khawtar Hasan Ahmed, Sasha Omanovic

Abstract:

Polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) in combination with electrochemistry, was employed to study the influence of surface charge (potential) on the kinetics of bovine serum albumin (BSA) adsorption on a biomedical-grade 316LVM stainless steel surface is discussed. The BSA adsorption kinetics was found to greatly depend on the surface potential. With an increase in surface potential towards more negative values, both the BSA initial adsorption rate and the equilibrium (saturated) surface concentration also increased. Both effects were explained on the basis of replacement of well-ordered water molecules at the 316LVM / solution interface, i.e. by the increase in entropy of the system.

Keywords: adsorption, biomedical grade stainless steel, bovine serum albumin (BSA), electrode surface potential / charge, kinetics, PM-IRRAS, protein/surface interactions

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2631 Kinetics of Palm Oil Cracking in Batch Reactor

Authors: Farouq Twaiq, Ishaq Al-Anbari, Mustafa Nasser

Abstract:

The kinetics of palm oil catalytic cracking over aluminum containing mesoporous silica Al-MCM-41 (5% Al) was investigated in a batch autoclave reactor at the temperatures range of 573 – 673 K. The catalyst was prepared by using sol-gel technique and has been characterized by nitrogen adsorption and x-ray diffraction methods. Surface area of 1276 m2/g with average pore diameter of 2.54 nm and pore volume of 0.811 cm3/g was obtained. The experimental catalytic cracking runs were conducted using 50 g of oil and 1 g of catalyst. The reaction pressure was recorded at different time intervals and the data were analyzed using Levenberg- Marquardt (LM) algorithm using polymath software. The results show that the reaction order was found to be -1.5 and activation energy of 3200 J/gmol.

Keywords: Batch Reactor, Catalytic Cracking, Kinetics, Palm Oil.

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2630 Adsorption Kinetics of Alcohols over MCM-41 Materials

Authors: Farouq Twaiq, Mustafa Nasser, Siham Al-Hajri, Mansoor Al-Hasani

Abstract:

Adsorption of methanol and ethanol over mesoporous siliceous material are studied in the current paper. The pure mesoporous silica is prepared using tetraethylorthosilicate (TEOS) as silica source and dodecylamine as template at low pH. The prepared material was characterized using nitrogen adsorption,nX-ray diffraction (XRD) and scanning electron microscopy (SEM). The adsorption kinetics of methanol and ethanol from aqueous solution were studied over the prepared mesoporous silica material. The percent removal of alcohol was calculated per unit mass of adsorbent used. The 1st order model is found to be in agreement with both adsorbates while the 2nd order model fit the adsorption of methanol only.

Keywords: Adsorption, Kinetics, Mesoprous silica, Methanol

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2629 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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2628 Numerical Investigation of Thermally Triggered Release Kinetics of Double Emulsion for Drug Delivery Using Phase Change Material

Authors: Yong Ren, Yaping Zhang

Abstract:

A numerical model has been developed to investigate the thermally triggered release kinetics for drug delivery using phase change material as shell of microcapsules. Biocompatible material n-Eicosane is used as demonstration. PCM shell of microcapsule will remain in solid form after the drug is taken, so the drug will be encapsulated by the shell, and will not be released until the target body part of lesion is exposed to external heat source, which will thermally trigger the release kinetics, leading to solid-to-liquid phase change. The findings can lead to better understanding on the key effects influencing the phase change process for drug delivery applications. The facile approach to release drug from core/shell structure of microcapsule can be well integrated with organic solvent free fabrication of microcapsules, using double emulsion as template in microfluidic aqueous two phase system.

Keywords: Phase change material, drug release kinetics, double emulsion, microfluidics.

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2627 Adsorption of Lead from Synthetic Solution using Luffa Charcoal

Authors: C. Umpuch, N. Bunmanan, U. Kueasing, P. Kaewsan

Abstract:

This work was to study batch biosorption of Pb(II) ions from aqueous solution by Luffa charcoal. The effect of operating parameters such as adsorption contact time, initial pH solution and different initial Pb(II) concentration on the sorption of Pb(II) were investigated. The results showed that the adsorption of Pb(II) ions was initially rapid and the equilibrium time was 10 h. Adsorption kinetics of Pb(II) ions onto Luffa charcoal could be best described by the pseudo-second order model. At pH 5.0 was favorable for the adsorption and removal of Pb(II) ions. Freundlich adsorption isotherm model was better fitted for the adsorption of Pb(II) ions than Langmuir and Timkin isotherms, respectively. The highest monolayer adsorption capacity obtained from Langmuir isotherm model was 51.02 mg/g. This study demonstrated that Luffa charcoal could be used for the removal of Pb(II) ions in water treatment.

Keywords: Lead (II), Luffa charcoal, Biosorption, initial pHsolution, contact time, adsorption isotherm.

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