Search results for: Interfacial Reaction

Authors: Pavlo Selyshchev, Samuel Akintunde

Abstract:

A theoretical approach to consider formation of chemical compound layer at the interface between initial substances A and B due to the interfacial interaction and diffusion is developed. It is considered situation when speed of interfacial interaction is large enough and diffusion of A-atoms through AB-layer is much more then diffusion of B-atoms. Atoms from A-layer diffuse toward B-atoms and form AB-atoms on the surface of B-layer. B-atoms are assumed to be immobile. The growth kinetics of the AB-layer is described by two differential equations with non-linear coupling, producing a good fit to the experimental data. It is shown that growth of the thickness of the AB-layer determines by dependence of chemical reaction rate on reactants concentration. In special case the thickness of the AB-layer can grow linearly or parabolically depending on that which of processes (interaction or the diffusion) controls the growth. The thickness of AB-layer as function of time is obtained. The moment of time (transition point) at which the linear growth are changed by parabolic is found.

Keywords: Phase formation, Binary systems, Interfacial Reaction, Diffusion, Compound layers, Growth kinetics.

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Authors: A. H. M. Faisal Anwar

Abstract:

In this study, the effect of greywater irrigation on airwater interfacial area is investigated. Several soil column experiments were conducted for different greywater irrigation to develop the pressure-saturation curves. Surface tension was measured for different greywater concentration and fitted for Gibbs adsorption equation. Pressure-saturation curves show that the reduction of capillary rise stops when it reaches its critical micelle concentration (CMC). A simple theory is derived from pressure-saturation curves for calculating air-water interfacial area in porous medium during greywater irrigation by introducing a term 'hydraulic radius' for the pores. This term diminishes any effect of pore shapes on the air-water interfacial area. The air-water interfacial area was calculated using the pressure-saturation curves and found that it decreases with increasing moisture content. But no significant effect was observed on air-water interfacial area for different greywater irrigation. A maximum of 10% variation in interfacial area was observed at the residual saturation zone.

Keywords: Greywater, Irrigation, Interfacial area, Surface tension, Porous medium.

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Authors: Bintao Wu, Xiangfang Xu, Yugang Miao, Duanfeng Han

Abstract:

Joining of 1mm thick aluminum 6061 to titanium TC4 was conducted using Bypass-current MIG welding-brazed, and stable welding process and good bead appearance were obtained. The Joint profile and microstructure of Ti/Al joints were observed by optical microscopy and SEM and then the structure of the interfacial reaction layers were analyzed in details. It was found that the intermetallic compound layer at the interfacial top is in the form of columnar crystal, which is in short and dense state. A mount of AlTi were observed at the interfacial layer near the Ti base metal while intermetallic compound like Al3Ti, TiSi3 were formed near the Al base metal, and the Al11Ti5 transition phase was found in the center of the interface layer due to the uneven distribution inside the weld pool during the welding process. Tensile test results show that the average tensile strength of joints is up to 182.6 MPa, which reaches about 97.6% of aluminum base metal. Fracture is prone to occur in the base metal with a certain amount of necking.

Keywords: Bypass-current MIG welding-brazed, Al alloy, Ti alloy, joint characteristics, mechanical properties.

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Authors: M. N. Abu Seman, L. M. Kei, M. A. Yusoff

Abstract:

Forward Osmosis (FO) polyamide thin-film composite membranes have been prepared by interfacial polymerization using commercial UF polyethersulfoneas membrane support. Different interfacial polymerization times (10s, 30s and 60s) in the organic solution containing trimesoyl chloride (TMC) at constant m-phenylenediamine (MPD) concentration (2% w/v) were studied. The synthesized polyamide membranes then tested for treatment of natural organic matter (NOM) and compared to commercial Cellulose TriAcetate (CTA) membrane. It was found that membrane prepared with higher reaction time (30s and 60s) exhibited better membrane performance (flux and humic acid removal) over commercial CTA membrane.

Keywords: Cellulose Triacetate, Forward Osmosis, Humic Acid, Polyamide.

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Authors: E. Shahbazali, N. Afrasiabi, A. A. Safekordi

Abstract:

Nowadays, fluidized bed plays an important part in industry. The design of this kind of reactor requires knowing the interfacial area between two phases and this interfacial area leads to calculate the solid holdup in the bed. Consequently achieving interfacial area between gas and solid in the bed experimentally is so significant. On interfacial area measurement in fluidized bed with gas has been worked, but light transmission technique has been used less. Therefore, in the current research the possibility of using of this technique and its accuracy are investigated. Measuring, a fluidized bed was designed and the problems were averted as far as possible. By using fine solid with equal shape and diameter and installing an optical system, the absorption of light during the time of fluidization has been measured. Results indicate that this method that its validity has been proved in the gas-liquid system, by different reasons have less application in gas-solid system. One important reason could be non-uniformity in such systems.

Keywords: Fluidization, Holdup, Light Transmission, Two phase system.

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Authors: Afshin Ahmadi Nadooshan

Abstract:

In this article, various models of surface tension force (CSF, CSS and PCIL) for interfacial flows have been applied to dynamic case and the results were compared. We studied the Kelvin- Helmholtz instabilities, which are produced by shear at the interface between two fluids with different physical properties. The velocity inlet is defined as a sinusoidal perturbation. When gravity and surface tension are taking into account, we observe the development of the Instability for a critic value of the difference of velocity of the both fluids. The VOF Model enables to simulate Kelvin-Helmholtz Instability as dynamic case.

Keywords: Interfacial flow, Incompressible flow, surface tension, Volume-Of-Fluid, Kelvin-Helmholtz.

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Authors: Aditya Khanna, Andrei Kotousov

Abstract:

A novel method is presented for obtaining the stress field induced by an edge dislocation in a multilayered composite. To demonstrate the applications of the obtained solution, we consider the problem of an interfacial crack in a periodically layered bimaterial medium. The crack is modelled as a continuous distribution of edge dislocations and the Distributed Dislocation Technique (DDT) is utilized to obtain numerical results for the energy release rate (ERR). The numerical implementation of the dislocation solution in MATLAB is also provided.

Keywords: Distributed dislocation technique, Edge dislocation, Elastic field, Interfacial crack, Multi-layered composite.

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Authors: Mohamed H. Gabr, Kiyoshi Uzawa

Abstract:

The current study aims to investigate the effect of fillers with different geometries and sizes on the interfacial shear properties of PA6 composites with de-sized carbon fiber. The fillers which have been investigated are namely; nano-layer silicates (nanoclay), sub-micro aluminum titanium (ALTi) particles, and multiwall carbon nanotube (MWCNT). By means of X-ray photoelectron spectroscopy (XPS), epoxide group which defined as a sizing agent, has been removed. Sizing removal can reduce the acid parameter of carbon fibers surface promoting bonding strength at the fiber/matrix interface which is a desirable property for the carbon fiber composites. Microdroplet test showed that the interfacial shear strength (IFSS) has been enhanced with the addition of 10wt% ALTi by about 23% comparing with neat PA6. However, with including other types of fillers into PA6, the results did not show enhancement of IFSS.

Keywords: Sub-micro-filler, nano-composites, interfacial shear strength, polyamide.

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Authors: S. Sripinun, K. Suriye, S. Kunjara Na Ayudhyab, P. Praserthdam, S. Assabumrungrat

Abstract:

This work studied the isomerization of 1-butene over hydrotalcite catalyst. The experiments were conducted at various gas hourly space velocity (GHSV), reaction temperature and feed concentration. No catalyst deactivation was observed over the reaction time of 16 hours. Two major reaction products were trans-2- butene and cis-2-butene. The reaction temperature played an important role on the reaction selectivity. At high operating temperatures, the selectivity of trans-2-butene was higher than the selectivity of cis-2-butene while it was opposite at lower reaction temperature. In the range of operating condition, the maximum conversion of 1-butene was found at 74% when T = 673 K and GHSV = 4 m3/h/kg-cat with trans- and cis-2-butene selectivities of 54% and 46%, respectively. Finally, the kinetic parameters of the reaction were determined.

Keywords: Hydrotalcite, isomerization, kinetic, 1-butene.

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Authors: Liberty L Mguni, Reinout Meijboom, Kalala Jalama

Abstract:

Nano-MgO was successfully deposited on titania using deposition-precipitation method. The catalyst produced was characterised using FTIR, XRD, BET and XRF and its activity was tested on the transesterification reaction of soybean oil to biodiesel. The catalyst activity improved when the reaction temperature was increasedfrom 150 and 225 OC. It was also observed that increasing the reaction time above 1h had no significant benefit on conversion. The stability fixed MgO on TiO2 was investigated using XRF and ICP-OES. It was observed that MgO loss during the reaction was between 0.5-2.3 percent and that there was no correlation between the reaction temperature and the MgO loss.

Keywords: Nano-MgO, TiO2, transesterification

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Authors: Salah Aljbour, Hiroshi Yamada, Tomohiko Tagawa

Abstract:

A microchannel with two inlets and two outlets was tested as a potential reactor to carry out two-phase catalytic phase transfer reaction with phase separation at the exit of the microchannel. The catalytic phase transfer reaction between benzyl chloride and sodium sulfide was chosen as a model reaction. The effect of operational time on the conversion was studied. By utilizing a multiphase parallel flow inside the microchannel reactor with the aid of a guideline structure, the catalytic phase reaction followed by phase separation could be ensured. The organic phase could be separated completely from one exit and part of the aqueous phase was separated purely and could be reused with slightly affecting the catalytic phase transfer reaction.

Keywords: Green engineering, microchannel reactor, multiphase reaction, process intensification.

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Authors: M. P. Casiraghi, C. M. Quintella, P. Almeida

Abstract:

Paraffinic oils were submitted to microbial action. The microorganisms consisted of bacteria of the genera Pseudomonas sp. and Bacillus lincheniforms. The alterations in interfacial tension were determined using a tensometer and applying the hanging drop technique at room temperature (299 K ±275 K). The alteration in the constitution of the paraffins was evaluated by means of gas chromatography. The microbial activity was observed to reduce interfacial tension by 54 to 78%, as well as consuming the paraffins C19 to C29 and producing paraffins C36 to C44. The LIFirr technique made it possible to determine the microbial action quickly.

Keywords: Paraffins, biosurfactants, LIFirr.

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Authors: B. Sohbi, M. Emtir, M. Elgarni

Abstract:

An interesting method to produce calcium carbonate is based in a gas-liquid reaction between carbon dioxide and aqueous solutions of calcium hydroxide. The design parameters for gas-liquid phase are flow regime, individual mass transfer, gas-liquid specific interfacial area. Most studies on gas-liquid phase were devoted to the experimental determination of some of these parameters, and more specifically, of the mass transfer coefficient, kLa which depends fundamentally on the superficial gas velocity and on the physical properties of absorption phase. The principle investigation was directed to study the effect of the vibration on the mass transfer coefficient kLa in gas-liquid phase during absorption of CO2 in the in aqueous solution of calcium hydroxide. The vibration with a higher frequency increase the mass transfer coefficient kLa, but vibration with lower frequency didn-t improve it, the mass transfer coefficient kLa increase with increase the superficial gas velocity.

Keywords: Environment technology, mass transfer coefficient, absorption, CO2, calcium hydroxide.

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Authors: Shi Qi Koo, Ahmad Beng Hong Kueh

Abstract:

In the present work, the finite element formulation for the investigation of the effects of a localized interfacial degeneration on the dynamic behavior of the [90°/0°] laminated composite plate employing the state-space technique is performed. The stiffness of the laminate is determined by assembling the stiffnesses of subelements. This includes an introduction of an interface layer adopting the virtually zero-thickness formulation to model the interfacial degeneration. Also, the kinematically consistent mass matrix and proportional damping have been formulated to complete the free vibration governing expression. To simulate the interfacial degeneration of the laminate, the degenerated areas are defined from the center propagating outwards in a localized manner. It is found that the natural frequency, damped frequency and damping ratio of the plate decreases as the degenerated area of the interface increases. On the contrary, the loss factor increases correspondingly.

Keywords: Dynamic finite element, localized interface degeneration, proportional damping, state-space modeling.

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Authors: Joon Ho Kim, Duck Su Kim, Tae Kwon Ha

Abstract:

Aluminum/Copper clad sheet has been fabricated using asymmetric extrusion method, which caused severe shear deformation between Al and Cu plate to easily bond to each other. Interfacial microstructure and mechanical properties of Al/Cu clad were studied by scanning electron microscope equipped with energy dispersive X-ray detector, micro-hardness, and tension tests. The asymmetric extrusion bonding was very effective to provide a good interface for atoms diffusion during subsequent annealing. The strength of bonding was higher with the increasing extrusion ratio.

Keywords: Aluminum/Copper clad sheet, Asymmetric extrusion, Interfacial microstructure, Annealing, Tensile test.

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Authors: Junko Hara, Yoshishige Kawabe, Takeshi Komai, Chihiro Inoue

Abstract:

The chemical degradation of dieldrin in ferric sulfide and iron powder aqueous suspension was investigated in laboratory batch type experiments. To identify the reaction mechanism, reduced copper was used as reductant. More than 90% of dieldrin was degraded using both reaction systems after 29 days. Initial degradation rate of the pesticide using ferric sulfide was superior to that using iron powder. The reaction schemes were completely dissimilar even though the ferric ion plays an important role in both reaction systems. In the case of metallic iron powder, dieldrin undergoes partial dechlorination. This reaction proceeded by reductive hydrodechlorination with the generation of H+, which arise by oxidation of ferric iron. This reductive reaction was accelerated by reductant but mono-dechlorination intermediates were accumulated. On the other hand, oxidative degradation was observed in the reaction with ferric sulfide, and the stable chemical structure of dieldrin was decomposed into water-soluble intermediates. These reaction intermediates have no chemical structure of drin class. This dehalogenation reaction assumes to occur via the adsorbed hydroxyl radial generated on the surface of ferric sulfide.

Keywords: Dieldrin, kinetics, pesticide residue, soil remediation

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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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Authors: S. Boudali, A. M. Soliman, B. Abdulsalam, K. Ayed, D. E. Kerdal, S. Poncet

Abstract:

This study investigates the potential of using crushed concrete as aggregates to produce green and sustainable concrete. Crushed concrete was sieved to powder fine recycled aggregate (PFRA) less than 80 µm and coarse recycled aggregates (CRA). Physical, mechanical, and microstructural properties for PFRA and CRA were evaluated. The effect of the additional rates of PFRA and CRA on strength development of recycled aggregate concrete (RAC) was investigated. Additionally, the characteristics of interfacial transition zone (ITZ) between cement paste and recycled aggregate were also examined. Results show that concrete mixtures made with 100% of CRA and 40% PFRA exhibited similar performance to that of the control mixture prepared with 100% natural aggregate (NA) and 40% natural pozzolan (NP). Moreover, concrete mixture incorporating recycled aggregate exhibited a slightly higher later compressive strength than that of the concrete with NA. This was confirmed by the very dense microstructure for concrete mixture incorporating recycled concrete aggregates compared to that of conventional concrete mixture.

Keywords: Compressive strength, recycled concrete aggregates, microstructure, interfacial transition zone, powder fine recycled aggregate.

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Authors: A. Amar, N. Burtebayev, Zh. K. Kerimkulov, M. K. Baktybayev, J. T. Burtebayeva, A. K. Morzabayev, S. K. Sakhiev, N. Saduyev, S. B. Sakuta

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Elastic and inelastic scattering of α-particles by ⁹Be nuclei at different incident energies have been analyzed. Optical model parameters (OMPs) of α-particles elastic scattering by ⁹Be at different energies have been obtained. Coupled Reaction Channel (CRC) of elastic scattering, inelastic scattering and transfer reaction has been calculated using Fresco Code. The effect of involving CRC calculations on the analysis of differential cross section has been studied. The transfer reaction of (⁵He) in the reaction ⁹Be(α,⁹Be)α has been studied. The spectroscopic factor of ⁹Be≡α+⁵He has been extracted.

Keywords: Elastic scattering of α-particles, Optical model parameters, Coupled Reaction Channel, the transfer reaction of (5He), the spectroscopic factor of 9Be≡α+5He.

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Authors: A. Buasri, N. Chaiyut, K. Iamma, K. Kongcharoen, K. Cheunsakulpong

Abstract:

Biopolymers have gained much attention as ecofriendly alternatives to petrochemical-based plastics because they are biodegradable and can be produced from renewable feedstocks. One class of biopolyester with many potential environmentally friendly applications is polylactic acid (PLA) and polycaprolactone (PCL). The PLA/PCL biodegradable copolyesters were synthesized by bulk ring-opening copolymerization of successively added Llactide (LL) and ε-caprolactone (CL) in the presence of toluene, using 1-hexanol as initiator and stannous octoate (Sn(Oct)2) as catalyst. Reaction temperature, reaction time and amount of catalyst were evaluated to obtain optimum reaction conditions. The results showed that the %conversion increased with increases in reaction temperature and reaction time, but after a critical amount of catalyst was reached the %conversion decreased. The yield of PLA/PCL biopolymer achieved 98.02% at the reaction temperature 160 °C, amount of catalyst 0.3 mol% and reaction time of 48 h. In addition, the thermal properties of the product were determined by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA).

Keywords: Biopolymer, Polylactic Acid (PLA), Polycaprolactone (PCL), L-Lactide (LL), ε-Caprolactone (CL)

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Authors: Sabriye Piskin, Sibel Kasap, Muge Sari Yilmaz

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Nanocrystalline TiO₂ particles were successfully synthesized via sol-gel and sonochemical combination using titanium tetraisopropoxide as a precursor at lower temperature for a short time. The effect of the reaction parameters (hydrolysis media, acid media, and reaction temperatures) on the synthesis of TiO₂ particles were investigated in the present study. Characterizations of synthesized samples were prepared by X-ray diffraction (XRD) analysis. It was shown that the reaction parameters played a significant role in the synthesis of TiO₂ particles.

Keywords: Crystalline TiO2, sonochemical mechanism, sol-gel reaction.

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Authors: Ajay Mandal, Achinta Bera

Abstract:

Nanoemulsions are a class of emulsions with a droplet size in the range of 50–500 nm and have attracted a great deal of attention in recent years because it is unique characteristics. The physicochemical properties of nanoemulsion suggests that it can be successfully used to recover the residual oil which is trapped in the fine pore of reservoir rock by capillary forces after primary and secondary recovery. Oil-in-water nanoemulsion which can be formed by high-energy emulsification techniques using specific surfactants can reduce oil-water interfacial tension (IFT) by 3-4 orders of magnitude. The present work is aimed on characterization of oil-inwater nanoemulsion in terms of its phase behavior, morphological studies; interfacial energy; ability to reduce the interfacial tension and understanding the mechanisms of mobilization and displacement of entrapped oil blobs by lowering interfacial tension both at the macroscopic and microscopic level. In order to investigate the efficiency of oil-water nanoemulsion in enhanced oil recovery (EOR), experiments were performed to characterize the emulsion in terms of their physicochemical properties and size distribution of the dispersed oil droplet in water phase. Synthetic mineral oil and a series of surfactants were used to prepare oil-in-water emulsions. Characterization of emulsion shows that it follows pseudo-plastic behaviour and drop size of dispersed oil phase follows lognormal distribution. Flooding experiments were also carried out in a sandpack system to evaluate the effectiveness of the nanoemulsion as displacing fluid for enhanced oil recovery. Substantial additional recoveries (more than 25% of original oil in place) over conventional water flooding were obtained in the present investigation.

Keywords: Nanoemulsion, Characterization, Enhanced Oil Recovery, Particle Size Distribution

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Authors: U. Chattaraj, K. Dhusiya, M. Raviteja

Abstract:

Perception reaction time of drivers is an outcome of human thought process, which is vague and approximate in nature and also varies from driver to driver. So, in this study a fuzzy logic based model for prediction of the same has been presented, which seems suitable. The control factors, like, age, experience, intensity of driving of the driver, speed of the vehicle and distance of stimulus have been considered as premise variables in the model, in which the perception reaction time is the consequence variable. Results show that the model is able to explain the impacts of the control factors on perception reaction time properly.

Keywords: Driver, fuzzy logic, perception reaction time, premise variable.

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Authors: A. Ersan, A. S. Kipcak, M. Yildirim, A. M. Erayvaz, E. M. Derun, N. Tugrul, S. Piskin

Abstract:

Zinc borates are used as a multi-functional flame retardant additive for its high dehydration temperature. In this study, the method of ultrasonic mixing was used in the synthesis of zinc borates. The reactants of zinc oxide (ZnO) and boric acid (H3BO3) were used at the constant reaction parameters of 90°C reaction temperature and 55 min of reaction time. Several molar ratios of ZnO:H3BO3 (1:1, 1:2, 1:3, 1:4 and 1:5) were conducted for the determination of the optimum reaction ratio. Prior to synthesis the characterization of the synthesized zinc borates were made by X-Ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FT-IR). From the results Zinc Oxide Borate Hydrate [Zn3B6O12.3.5H2O], were synthesized optimum at the molar ratio of 1:3, with a reaction efficiency of 95.2%.

Keywords: Zinc borates, ultrasonic mixing, XRD, FT-IR, reaction efficiency.

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Authors: S. Mat Radzi, W.A.F. Mustafa, S.S Othman, H.M. Noor

Abstract:

Nowadays, butyl acetate, a pineapple flavor has been applied widely in food, beverage, cosmetic and pharmaceutical industries. In this study, Butyl acetate, a flavor ester was successfully synthesized via green synthesis of enzymatic reaction route. Commercial immobilized lipase from Rhizomucor miehei (Lipozyme RMIM) was used as biocatalyst in the esterification reaction between acetic acid and butanol. Various reaction parameters such as reaction time (RT), temperature (T) and amount of enzyme (E) were chosen to optimize the reaction synthesis in solvent-free system. The optimum condition to produce butyl acetate was at reaction time (RT), 18 hours; temperature (T), 37°C and amount of enzyme, 25 % (w/w of total substrate). Analysis of yield showed that at optimum condition, >78 % of butyl acetate was produced. The product was confirmed as butyl acetate from FTIR analysis whereby the presence of an ester group was observed at wavenumber of 1742 cm-1.

Keywords: Butyl acetate, immobilized enyzme, esterification, flavor ester, green synthesis

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Authors: Satyanarayana, K.N. Prabhu

Abstract:

Microstructure, wetting behavior and interfacial reactions between Sn–0.7Cu and Sn–0.3Ag–0.7Cu (SAC0307) solders solidified on Ni coated Al substrates were compared and investigated. Microstructure of Sn–0.7Cu alloy exhibited a eutectic matrix composed of primary β-Sn dendrites with a fine dispersion of Cu6Sn5 intermetallics whereas microstructure of SAC0307 alloy exhibited coarser Cu6Sn5 and finer Ag3Sn precipitates of IMCs with decreased tin dendrites. Contact angles ranging from 22° to 26° were obtained for Sn–0.7Cu solder solidified on substrate surface whereas for SAC0307 solder alloy contact angles were found to be in the range of 20° to 22°. Sn–0.7Cu solder/substrate interfacial region exhibited faceted (Cu, Ni)6Sn5 IMCs protruding into the solder matrix and a small amount of (Cu, Ni)3Sn4 intermetallics at the interface. SAC0307 solder/substrate interfacial region showed mainly (Cu, Ni)3Sn4 intermetallics adjacent to the coating layer and (Cu, Ni)6Sn5 IMCs in the solder matrix. The improvement in the wettability of SAC0307 solder alloy on substrate surface is attributed to the formation of cylindrical shape (Cu,Ni)6Sn5 and a layer of (Cu, Ni)3Sn4 IMCs at the interface.

Keywords: Lead-free solder, wetting, contact angle, intermetallics.

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Authors: Sirichai Chantara-arpornchai, Apanee Luengnaruemitchai, Samai Jai-In

Abstract:

In this study, the transesterification of palm oil with methanol for biodiesel production was studied by using CaO–ZnO as a heterogeneous base catalyst prepared by incipient-wetness impregnation (IWI) and co-precipitation (CP) methods. The reaction parameters considered were molar ratio of methanol to oil, amount of catalyst, reaction temperature, and reaction time. The optimum conditions–15:1 molar ratio of methanol to oil, a catalyst amount of 6 wt%, reaction temperature of 60 °C, and reaction time of 8 h–were observed. The effects of Ca loading, calcination temperature, and catalyst preparation on the catalytic performance were studied. The fresh and spent catalysts were characterized by several techniques, including XRD, TPR, and XRF.

Keywords: CaO, ZnO, biodiesel, heterogeneous catalyst, trans-esterification.

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Authors: Gul Afreen, Sreedevi Upadhyayula, Mahendra K. Sunkara

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One-dimensional (1D) nanostructures like nanowires, nanotubes, and nanorods find variety of practical application owing to their unique physico-chemical properties. In this work, TiO₂ nanowires were synthesized by direct oxidation of titanium particles in a unique microwave plasma jet reactor. The prepared TiO₂ nanowires manifested the flexible features, and were characterized by using X-ray diffraction, Brunauer-Emmett-Teller (BET) surface area analyzer, UV-Visible and FTIR spectrophotometers, Scanning electron microscope, and Transmission electron microscope. Further, the photodegradation efficiency of these nanowires were tested against toxic organic dye like methylene blue (MB) and the results were compared with the commercial TiO₂. It was found that TiO₂ nanowires exhibited superior photocatalytic performance (89%) as compared to commercial TiO₂ (75%) after 60 min of reaction. This is attributed to the lower recombination rate and increased interfacial charge transfer in TiO₂ nanowire. Pseudo-first order kinetic modelling performed with the experimental results revealed that the rate constant of photodegradation in case of TiO₂ nanowire was 1.3 times higher than that of commercial TiO₂. Superoxide radical (O₂˙⁻) was found to be the major contributor in the photodegradation mechanism. Based on the trapping experiments, a plausible mechanism of the photocatalytic reaction is discussed.

Keywords: Heterogeneous catalysis, photodegradation, reactive oxygen species, TiO2 nanowires.

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Authors: Mei-Hsiu Chi, Jyh-Yang Wu, Sheng-Gwo Chen

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The diffusion-reaction equations are important Partial Differential Equations in mathematical biology, material science, physics, and so on. However, finding efficient numerical methods for diffusion-reaction systems on curved surfaces is still an important and difficult problem. The purpose of this paper is to present a convergent geometric method for solving the reaction-diffusion equations on closed surfaces by an O(r)-LTL configuration method. The O(r)-LTL configuration method combining the local tangential lifting technique and configuration equations is an effective method to estimate differential quantities on curved surfaces. Since estimating the Laplace-Beltrami operator is an important task for solving the reaction-diffusion equations on surfaces, we use the local tangential lifting method and a generalized finite difference method to approximate the Laplace-Beltrami operators and we solve this reaction-diffusion system on closed surfaces. Our method is not only conceptually simple, but also easy to implement.

Keywords: Close surfaces, high-order approach, numerical solutions, reaction-diffusion systems.

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Authors: Paola Lecca, Lorenzo Dematte, Corrado Priami

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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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