Search results for: Chemical reactions
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1244

Search results for: Chemical reactions

1214 OPEN_EmoRec_II- A Multimodal Corpus of Human-Computer Interaction

Authors: Stefanie Rukavina, Sascha Gruss, Steffen Walter, Holger Hoffmann, Harald C. Traue

Abstract:

OPEN_EmoRec_II is an open multimodal corpus with experimentally induced emotions. In the first half of the experiment, emotions were induced with standardized picture material and in the second half during a human-computer interaction (HCI), realized with a wizard-of-oz design. The induced emotions are based on the dimensional theory of emotions (valence, arousal and dominance). These emotional sequences - recorded with multimodal data (facial reactions, speech, audio and physiological reactions) during a naturalistic-like HCI-environment one can improve classification methods on a multimodal level. This database is the result of an HCI-experiment, for which 30 subjects in total agreed to a publication of their data including the video material for research purposes*. The now available open corpus contains sensory signal of: video, audio, physiology (SCL, respiration, BVP, EMG Corrugator supercilii, EMG Zygomaticus Major) and facial reactions annotations.

Keywords: Open multimodal emotion corpus, annotated labels.

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1213 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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1212 Comparison of Chemical Coagulation and Electrocoagulation for Boron Removal from Synthetic Wastewater Using Aluminium

Authors: Kartikaningsih Danis, Yao-Hui Huang

Abstract:

Various techniques including conventional and advanced have been employed for the boron treatment from water and wastewater. The electrocoagulation involves an electrolytic reactor for coagulation/flotation with aluminium as anode and cathode. There is aluminium as coagulant to be used for removal which may induce secondary pollution in chemical coagulation. The purpose of this study is to investigate and compare the performance between electrocoagulation and chemical coagulation on boron removal from synthetic wastewater. The effect of different parameters, such as pH reaction, coagulant dosage, and initial boron concentration were examined. The results show that the boron removal using chemical coagulation was lower. At the optimum condition (e.g. pH 8 and 0.8 mol coagulant dosage), boron removal efficiencies for chemical coagulation and electrocoagulation were 61% and 91%, respectively. In addition, the electrocoagulation needs no chemical reagents and makes the boron treatment easy for application.

Keywords: Electrocoagulation, chemical coagulation, aluminum electrode, boron removal.

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1211 Water Soluble Chitosan Derivatives via the Freeze Concentration Technique

Authors: Senem Avaz, Alpay Taralp

Abstract:

Chitosan has been an attractive biopolymer for decades, but its processability is lowered by its poor solubility, especially in physiological pH values. Freeze concentrated reactions of chitosan with several organic acids including acrylic, citraconic, itaconic, and maleic acid revealed improved solubility and morphological properties. Solubility traits were assessed with a modified ninhydrin test. Chitosan derivatives were characterized by ATR-FTIR and morphological characteristics were determined by SEM. This study is a unique approach to chemically modify chitosan to enhance water solubility.

Keywords: Chitosan, Freeze Concentration, Frozen Reactions, Ninhydrin Test, Water Soluble Chitosan.

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1210 Thermodynamic Attainable Region for Direct Synthesis of Dimethyl Ether from Synthesis Gas

Authors: Thulane Paepae, Tumisang Seodigeng

Abstract:

This paper demonstrates the use of a method of synthesizing process flowsheets using a graphical tool called the GH-plot and in particular, to look at how it can be used to compare the reactions of a combined simultaneous process with regard to their thermodynamics. The technique uses fundamental thermodynamic principles to allow the mass, energy and work balances locate the attainable region for chemical processes in a reactor. This provides guidance on what design decisions would be best suited to developing new processes that are more effective and make lower demands on raw material and energy usage.

Keywords: Attainable region, dimethyl ether synthesis, mass balance, optimal reaction networks.

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1209 Thermodynamic Modeling of the High Temperature Shift Converter Reactor Using Minimization of Gibbs Free Energy

Authors: H. Zare Aliabadi

Abstract:

The equilibrium chemical reactions taken place in a converter reactor of the Khorasan Petrochemical Ammonia plant was studied using the minimization of Gibbs free energy method. In the minimization of the Gibbs free energy function the Davidon– Fletcher–Powell (DFP) optimization procedure using the penalty terms in the well-defined objective function was used. It should be noted that in the DFP procedure along with the corresponding penalty terms the Hessian matrices for the composition of constituents in the Converter reactor can be excluded. This, in fact, can be considered as the main advantage of the DFP optimization procedure. Also the effect of temperature and pressure on the equilibrium composition of the constituents was investigated. The results obtained in this work were compared with the data collected from the converter reactor of the Khorasan Petrochemical Ammonia plant. It was concluded that the results obtained from the method used in this work are in good agreement with the industrial data. Notably, the algorithm developed in this work, in spite of its simplicity, takes the advantage of short computation and convergence time.

Keywords: Gibbs free energy, converter reactors, Chemical equilibrium

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1208 Chemical Species Concentration Measurement via Wireless Sensors

Authors: Jer Hayes, Stephen Beirne, Breda M. Kiernan, Conor Slater, King-Tong Lau, Dermot Diamond

Abstract:

This paper describes studies carried out to investigate the viability of using wireless cameras as a tool in monitoring changes in air quality. A camera is used to monitor the change in colour of a chemically responsive polymer within view of the camera as it is exposed to varying chemical species concentration levels. The camera captures this image and the colour change is analyzed by averaging the RGB values present. This novel chemical sensing approach is compared with an established chemical sensing method using the same chemically responsive polymer coated onto LEDs. In this way, the concentration levels of acetic acid in the air can be tracked using both approaches. These approaches to chemical plume tracking have many applications for air quality monitoring.

Keywords: Environmental sensing, chemical sensors, wirelesssensor networks.

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1207 Farmers’ Awareness and Behavior of Chemical Pesticide Uses in Suan Luang Sub-District Municipality, Ampawa, Samut Songkram, Thailand

Authors: Paiboon Jeamponk, Tikamporn Thipsaeng

Abstract:

This paper is aimed to investigate farmers’ level of awareness and behavior of chemical pesticide uses, by using a case study of Suan Luang Sub- District Municipality, Ampawa, Samut Songkram Province. Questionnaire was employed in this study with the farmers from 46 households to explore their level of awareness in chemical pesticide uses, while interview and observation were adopted in exploring their behavior of chemical pesticide uses. The findings reflected the farmers’ high level of awareness in chemical pesticide uses in the hazardous effects of the chemical to human and environmental health, while their behavior of chemical pesticide uses explained their awareness paid to the right way of using pesticides, for instance reading the direction on the label, keeping children and animals away from the area of pesticide mixing, covering body with clothes and wearing hat and mask, no smoking, eating or drinking during pesticide spray or standing in windward direction.

Keywords: Awareness, Behavior, Pesticide.

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1206 Chemical Analysis of Available Portland Cement in Libyan Market Using X-Ray Fluorescence

Authors: M. A. Elbagermia, A. I. Alajtala, M. Alkerzab

Abstract:

This study compares the quality of different brands of Portland Cement (PC) available in Libyan market. The amounts of chemical constituents like SiO2, Al2O3, Fe2O3, CaO, MgO, SO3 and Lime Saturation Factor (LSF) were determined in accordance with Libyan (L.S.S) and Amrican (A.S.S) Standard Specifications. All the cement studies were found to be good for concrete work especially where no special property is required. The chemical and mineralogical analyses for studied clinker samples show that the dominant phases composition are C3S and C2S while the C3A and C4AF are less abundant.

Keywords: Portland cement, Chemical Composition, Libyan market, X-ray fluorescence.

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1205 PSO Based Optimal Design of Fractional Order Controller for Industrial Application

Authors: Rohit Gupta, Ruchika

Abstract:

In this paper, a PSO based fractional order PID (FOPID) controller is proposed for concentration control of an isothermal Continuous Stirred Tank Reactor (CSTR) problem. CSTR is used to carry out chemical reactions in industries, which possesses complex nonlinear dynamic characteristics. Particle Swarm Optimization algorithm technique, which is an evolutionary optimization technique based on the movement and intelligence of swarm is proposed for tuning of the controller for this system. Comparisons of proposed controller with conventional and fuzzy based controller illustrate the superiority of proposed PSO-FOPID controller.

Keywords: CSTR, Fractional Order PID Controller, Partical Swarm Optimization.

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1204 Investigating Different Options for Reheating the First Converter Inlet Stream of Sulfur Recovery Units (SRUs)

Authors: H. Ganji, H. R. Mahdipoor, J. Ahmadpanah, H. Naderi

Abstract:

The modified Claus process is the major technology for the recovery of elemental sulfur from hydrogen sulfide. The chemical reactions that can occur in the reaction furnace are numerous and many byproducts such as carbon disulfide and carbon carbonyl sulfide are produced. These compounds can often contribute from 20 to 50% of the pollutants and therefore, should be hydrolyzed in the catalytic converter. The inlet temperature of the first catalytic reactor should be maintained over than 250 °C, to hydrolyze COS and CS2. In this paper, the various configurations for the first converter reheating of sulfur recovery unit are investigated. As a result, the performance of each method is presented for a typical clause unit. The results show that the hot gas method seems to be better than the other methods.

Keywords: Sulfur recovery unit, reaction converter.

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1203 Effect of Chemical Modifier on the Properties of Polypropylene (PP) / Coconut Fiber (CF) in Automotive Application

Authors: K. Shahril, A. Nizam, M. Sabri, A. Siti Rohana, H. Salmah

Abstract:

Chemical modifier (Acrylic Acid) is used as filler treatment to improve mechanical properties and swelling behavior of polypropylene/coconut fiber (PP/CF) composites by creating more adherent bonding between CF filler and PP Matrix. Treated (with chemical modifier) and untreated (without chemical modifier) composites were prepared in the formulation of 10 wt%, 20 wt%, 30 wt%, and 40 wt%. The mechanical testing indicates that composite with 10 wt% of untreated composite has the optimum value of tensile strength, and the composite with chemical modifier shows the tensile strength was increased. By increasing of filler loading, elastic modulus was increased while the elongation at brake was decreased. Meanwhile, the swelling test discerned that the increase of filler loading increased the water absorption of composites and the presence of chemical modifier reduced the equilibrium water absorption percentage.

Keywords: Coconut fiber, polypropylene, acid acrylic, ethanol, chemical modifier, composites.

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1202 Health Hazards among Healthcare Workers and Associated Factors in Public Hospitals, Sana'a-Yemen

Authors: Makkia, Ahmad, Al-Falahi, Abdullah Abdelaziz Muharram

Abstract:

Healthcare workers (HCWs) in Yemen are exposed to a myriad of occupational health hazards, including biological, physical, ergonomic, chemical and psychosocial hazards. HCWs operate in an environment that is considered to be one of the most hazardous occupational settings. The current study aimed to assess sng the prevalence of ‎occupational health hazards among Health care workers and associated ‎risk factors in public hospitals in Sana'a City, Yemen. Descriptive cross-sectional design was utilized; out of 5443 totals of HCWs 396 were selected by multistage sampling technique was carried out in the public hospitals in Sana'a city, Yemen. More the half (60.6%) of HCWs were aged between 20-30 years, 50.8% were males, 56.3% were married, and 45.5% had a diploma qualification, while 65.2% of HCWs had less than 6 years of experience. The results show a high prevalence of occupational hazards (99%); ergonomic hazards (93.4%), biological hazards (87.6%), psychosocial (86.65%), physical hazards (83.3%), and chemical hazards (73.5%). There were no statistically significant differences between demographic characteristics and the prevalence of occupational hazards (p > 0.05). The study revealed that occupational hazards were highly prevalent among the participants. The most common biological hazard was exposure to sharp-related injuries, while the predominant physical hazard was slip, trip, and fall incidents. Ergonomic hazards manifested as back or neck pain during work. Chemical hazards were represented by allergic reactions to medical gloves powder. Psychosocial hazards included experiencing verbal and physical harassment. In conclusion, the study emphasized the importance of raising awareness among HCWs and conducting training courses to prevent occupational hazards.

Keywords: Health workers, occupational hazard, prevalence, risk factors.

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1201 Production of Biodiesel from Roasted Chicken Fat and Methanol: Free Catalyst

Authors: Jorge Ramírez-Ortiz, Merced Martínez Rosales, Horacio Flores Zúñiga

Abstract:

Transesterification reactions free of catalyst between roasted chicken fat with methanol were carried out in a batch reactor in order to produce biodiesel to temperatures from 120°C to 140°C. Parameters related to the transesterification reactions, including temperature, time and the molar ratio of chicken fat to methanol also investigated. The maximum yield of the reaction was of 98% under conditions of 140°C, 4 h of reaction time and a molar ratio of chicken fat to methanol of 1:31. The biodiesel thus obtained exhibited a viscosity of 6.3 mm2/s and a density of 895.9 kg/m3. The results showed this process can be right choice to produce biodiesel since this process does not use any catalyst. Therefore, the steps of neutralization and washing are avoided, indispensables in the case of the alkaline catalysis.

Keywords: Biodiesel, non-catalyst, roasted chicken fat, transesterification.

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1200 Numerical Simulation of Wall Treatment Effects on the Micro-Scale Combustion

Authors: R. Kamali, A. R. Binesh, S. Hossainpour

Abstract:

To understand working features of a micro combustor, a computer code has been developed to study combustion of hydrogen–air mixture in a series of chambers with same shape aspect ratio but various dimensions from millimeter to micrometer level. The prepared algorithm and the computer code are capable of modeling mixture effects in different fluid flows including chemical reactions, viscous and mass diffusion effects. The effect of various heat transfer conditions at chamber wall, e.g. adiabatic wall, with heat loss and heat conduction within the wall, on the combustion is analyzed. These thermal conditions have strong effects on the combustion especially when the chamber dimension goes smaller and the ratio of surface area to volume becomes larger. Both factors, such as larger heat loss through the chamber wall and smaller chamber dimension size, may lead to the thermal quenching of micro-scale combustion. Through such systematic numerical analysis, a proper operation space for the micro-combustor is suggested, which may be used as the guideline for microcombustor design. In addition, the results reported in this paper illustrate that the numerical simulation can be one of the most powerful and beneficial tools for the micro-combustor design, optimization and performance analysis.

Keywords: Numerical simulation, Micro-combustion, MEMS, CFD, Chemical reaction.

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1199 Numerical Modelling of Surface Waves Generated by Low Frequency Electromagnetic Field for Silicon Refinement Process

Authors: V. Geza, J. Vencels, G. Zageris, S. Pavlovs

Abstract:

One of the most perspective methods to produce SoG-Si is refinement via metallurgical route. The most critical part of this route is refinement from boron and phosphorus. Therefore, a new approach could address this problem. We propose an approach of creating surface waves on silicon melt’s surface in order to enlarge its area and accelerate removal of boron via chemical reactions and evaporation of phosphorus. A two dimensional numerical model is created which includes coupling of electromagnetic and fluid dynamic simulations with free surface dynamics. First results show behaviour similar to experimental results from literature.

Keywords: Numerical modelling, silicon refinement, surface waves, VOF method.

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1198 Resistance to Sulfuric Acid Attacks of Self-Consolidating Concrete: Effect Metakaolin and Various Cements Types

Authors: Kianoosh Samimi, Farhad Estakhr, Mahdi Mahdikhani, Faramaz Moodi

Abstract:

Due to their fluidity and simplicity of use, self-compacting concretes (SCCs) have undeniable advantages. In recent years, the role of metakaolin as a one of pozzolanic materials in concrete has been considered by researchers. It can modify various properties of concrete, due to high pozzolanic reactions and also makes a denser microstructure. The objective of this paper is to examine the influence of three type of Portland cement and metakaolin on fresh state, compressive strength and sulfuric acid attacks in self- consolidating concrete at early age up to 90 days of curing in lime water. Six concrete mixtures were prepared with three types of different cement as Portland cement type II, Portland Slag Cement (PSC), Pozzolanic Portland Cement (PPC) and 15% substitution of metakaolin by every cement. The results show that the metakaolin admixture increases the viscosity and the demand amount of superplasticizer. According to the compressive strength results, the highest value of compressive strength was achieved for PSC and without any metakaolin at age of 90 days. Conversely, the lowest level of compressive strength at all ages of conservation was obtained for PPC and containing 15% metakaolin. According to this study, the total substitution of PSC and PPC by Portland cement type II is beneficial to the increasing in the chemical resistance of the SCC with respect to the sulfuric acid attack. On the other hand, this increase is more noticeable by the use of 15% of metakaolin. Therefore, it can be concluded that metakaolin has a positive effect on the chemical resistance of SCC containing of Portland cement type II, PSC, and PPC.

Keywords: SCC, metakaolin, cement type, durability, compressive strength, sulfuric acid attacks.

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1197 Physico-Chemical Characteristics of Cement Manufactured with Artificial Pozzolan (Waste Brick)

Authors: A. Naceri, M. Chikouche Hamina, P. Grosseau

Abstract:

The effect of artificial pozzolan (waste brick) on the physico-chemical properties of cement manufactured was investigated. The waste brick is generated by the manufacture of bricks. It was used in the proportions of 0%, 5%, 10%, 15% and 20% by mass of cement to study its effect on the physico-chemical properties of cement incorporating artificial pozzolan. The physicochemical properties of cement at anhydrous state and the hydrated state (chemical composition, specific weight, fineness, consistency of the cement paste and setting times) were studied. The experimental results obtained show that the quantity of pozzolanic admixture (waste brick) of cement manufactured is the principal parameter who influences on the variation of the physico-chemical properties of the cement tested.

Keywords: Artificial pozzolan, waste brick, cement, physicochemicalcharacteristics.

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1196 The Acaricidal and Repellent Effect of Cinnamon Essential Oil against House Dust Mite

Authors: Je-Hoon Michael Oh

Abstract:

The major source of allergy in home is the house dust mite (Dematophagoides farina, Dermatophagoides pteronyssinus) causing allergic symptom include atopic dermatitis, asthma, perennial rhinitis and even infant death syndrome. Control of this mite species is dependent on the use of chemical methods such as fumigation treatments with methylene bromide, spraying with organophosphates such as pirimiphos-methyl, or treatments with repellents such as DEET and benzyl benzoate. Although effective, their repeated use for decades has sometimes resulted in development of resistance and fostered environmental and human health concerns. Both decomposing animal parts and the protein that surrounds mite fecal pellets cause mite allergy. So it is more effective to repel than to kill them because allergen is not living house dust mite but dead body or fecal particles of house dust mite. It is important to find out natural repellent material against house dust mite to control them and reduce the allergic reactions. Plants may be an alternative source for dust mite control because they contain a range of bioactive chemicals. The research objectives of this paper were to verify the acaricidal and repellent effects of cinnamon essential oil and to find out it-s most effective concentrations. We could find that cinnamon bark essential oil was very effective material to control the house dust mite. Furthermore, it could reduce chemical resistance and danger for human health.

Keywords: house dust mite, cinnamon, repellent effect

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1195 Evaluation of Physicochemical Pretreatment Methods on COD and Ammonia Removal from Landfill Leachate

Authors: M. Poveda, S. Lozecznik, J. Oleszkiewicz, Q. Yuan

Abstract:

The goal of this experiment is to evaluate the effectiveness of different leachate pre-treatment options in terms of COD and ammonia removal. This research focused on the evaluation of physical-chemical methods for pre-treatment of leachate that would be effective and rapid in order to satisfy the requirements of the sewer discharge by-laws. The four pre-treatment options evaluated were: air stripping, chemical coagulation, electrocoagulation and advanced oxidation with sodium ferrate. Chemical coagulation reported the best COD removal rate at 43%, compared to 18% for both air stripping and electro-coagulation, and 20% for oxidation with sodium ferrate. On the other hand, air stripping was far superior to the other treatment options in terms of ammonia removal with 86%. Oxidation with sodium ferrate reached only 16%, while chemical coagulation and electro-coagulation removed less than 10%. When combined, air stripping and chemical coagulation removed up to 50% COD and 85% ammonia.

Keywords: Leachate pretreatment, air stripping, chemical coagulation, electro-coagulation, oxidation.

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1194 Event Related Potentials in Terms of Visual and Auditory Stimuli

Authors: Seokbeen Lim, KyeongSeok Sim, DaKyeong Shin, Gilwon Yoon

Abstract:

Event-related potential (ERP) is one of the useful tools for investigating cognitive reactions. In this study, the potential of ERP components detected after auditory and visual stimuli was examined. Subjects were asked to respond upon stimuli that were of three categories; Target, Non-Target and Standard stimuli. The ERP after stimulus was measured. In the experiment of visual evoked potentials (VEPs), the subjects were asked to gaze at a center point on the monitor screen where the stimuli were provided by the reversal pattern of the checkerboard. In consequence of the VEP experiments, we observed consistent reactions. Each peak voltage could be measured when the ensemble average was applied. Visual stimuli had smaller amplitude and a longer latency compared to that of auditory stimuli. The amplitude was the highest with Target and the smallest with Standard in both stimuli.

Keywords: Auditory stimulus, EEG, event related potential, oddball task, visual stimulus.

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1193 Group Similarity Transformation of a Time Dependent Chemical Convective Process

Authors: M. M. Kassem, A. S. Rashed

Abstract:

The time dependent progress of a chemical reaction over a flat horizontal plate is here considered. The problem is solved through the group similarity transformation method which reduces the number of independent by one and leads to a set of nonlinear ordinary differential equation. The problem shows a singularity at the chemical reaction order n=1 and is analytically solved through the perturbation method. The behavior of the process is then numerically investigated for n≠1 and different Schmidt numbers. Graphical results for the velocity and concentration of chemicals based on the analytical and numerical solutions are presented and discussed.

Keywords: Time dependent, chemical convection, grouptransformation method, perturbation method.

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1192 The Social Reaction to the Wadi Salib Riots (1959) as Reflected in Contemporary Israeli Press

Authors: Ada Yurman

Abstract:

Social reactions to deviant groups with political goals follow two central patterns; one that associates personal characteristics with deviant behavior, and the other that claims that society is to be blamed for deviant behavior. The establishment usually tends towards the former notion and thus disclaims any responsibility for the distress of the underprivileged, while it is usually those who oppose government policies who believe that the fault lies with society. The purpose of the present research was to examine social reactions to the Wadi Salib riots that occurred in Haifa in 1959. These riots represented the first ethnic protest within Israeli society with its ideology of the ingathering of the exiles. The central question was whether this ideology contributed to the development of a different reaction when compared to reactions to similar events abroad. This question was examined by means of analyzing articles in the Israeli press of that period. The Israeli press representing the views of the establishment was at pains to point out that the rioters were criminals, their object being to obstruct the development of society. Opposition party leaders claimed that the rioters lived in poor circumstances, which constituted a direct result of government policies. An analysis of press reports on the Wadi Salib riots indicates a correspondence between the reaction to these events and similar events abroad. Nevertheless, the reaction to the Wadi Salib riots did not only express a conflict between different political camps, but also different symbolic universes. Each group exploited the events at Wadi Salib to prove that their ideology was the legitimate one.

Keywords: Riots, media, political deviance, symbolic universe.

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1191 Performance Comparison of Different Regression Methods for a Polymerization Process with Adaptive Sampling

Authors: Florin Leon, Silvia Curteanu

Abstract:

Developing complete mechanistic models for polymerization reactors is not easy, because complex reactions occur simultaneously; there is a large number of kinetic parameters involved and sometimes the chemical and physical phenomena for mixtures involving polymers are poorly understood. To overcome these difficulties, empirical models based on sampled data can be used instead, namely regression methods typical of machine learning field. They have the ability to learn the trends of a process without any knowledge about its particular physical and chemical laws. Therefore, they are useful for modeling complex processes, such as the free radical polymerization of methyl methacrylate achieved in a batch bulk process. The goal is to generate accurate predictions of monomer conversion, numerical average molecular weight and gravimetrical average molecular weight. This process is associated with non-linear gel and glass effects. For this purpose, an adaptive sampling technique is presented, which can select more samples around the regions where the values have a higher variation. Several machine learning methods are used for the modeling and their performance is compared: support vector machines, k-nearest neighbor, k-nearest neighbor and random forest, as well as an original algorithm, large margin nearest neighbor regression. The suggested method provides very good results compared to the other well-known regression algorithms.

Keywords: Adaptive sampling, batch bulk methyl methacrylate polymerization, large margin nearest neighbor regression, machine learning.

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1190 X-Ray Fluorescence Molecular Imaging with Improved Sensitivity for Biomedical Applications

Authors: Guohua Cao, Xu Dong

Abstract:

X-ray Fluorescence Molecular Imaging (XFMI) holds great promise as a low-cost molecular imaging modality for biomedical applications with high chemical sensitivity. However, for in vivo biomedical applications, a key technical bottleneck is the relatively low chemical sensitivity of XFMI, especially at a reasonably low radiation dose. In laboratory x-ray source based XFMI, one of the main factors that limits the chemical sensitivity of XFMI is the scattered x-rays. We will present our latest findings on improving the chemical sensitivity of XFMI using excitation beam spectrum optimization. XFMI imaging experiments on two mouse-sized phantoms were conducted at three different excitation beam spectra. Our results show that the minimum detectable concentration (MDC) of iodine can be readily increased by five times via excitation spectrum optimization. Findings from this investigation could find use for in vivo pre-clinical small-animal XFMI in the future.

Keywords: Molecular imaging, X-ray fluorescence, chemical sensitivity, X-ray scattering.

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1189 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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1188 Earnings-Related Information, Cognitive Bias, and the Disposition Effect

Authors: Chih-Hsiang Chang, Pei-Shan Kao

Abstract:

This paper discusses the reaction of investors in the Taiwan stock market to the most probable unknown earnings-related information and the most probable known earnings-related information. As compared with the previous literature regarding the effect of an official announcement of earnings forecast revision, this paper further analyzes investors’ cognitive bias toward the unknown and known earnings-related information, and the role of media during the investors' reactions to the foresaid information shocks. The empirical results show that both the unknown and known earnings-related information provides useful information content for a stock market. In addition, cognitive bias and disposition effect are the behavioral pitfalls that commonly occur in the process of the investors' reactions to the earnings-related information. Finally, media coverage has a remarkable influence upon the investors' trading decisions.

Keywords: Cognitive bias, role of media, disposition effect, earnings-related information, behavioral pitfall.

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1187 Deriving Causal Explanation from Qualitative Model Reasoning

Authors: Alicia Y. C. Tang, Sharifuddin M. Zain, Noorsaadah A. Rahman, Rukaini Abdullah

Abstract:

This paper discusses a qualitative simulator QRiOM that uses Qualitative Reasoning (QR) technique, and a process-based ontology to model, simulate and explain the behaviour of selected organic reactions. Learning organic reactions requires the application of domain knowledge at intuitive level, which is difficult to be programmed using traditional approach. The main objective of QRiOM is to help learners gain a better understanding of the fundamental organic reaction concepts, and to improve their conceptual comprehension on the subject by analyzing the multiple forms of explanation generated by the software. This paper focuses on the generation of explanation based on causal theories to explicate various phenomena in the chemistry subject. QRiOM has been tested with three classes problems related to organic chemistry, with encouraging results. This paper also presents the results of preliminary evaluation of QRiOM that reveal its explanation capability and usefulness.

Keywords: Artificial intelligence, explanation, ontology, organicreactions, qualitative reasoning, QPT.

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1186 Heavy Metal Concentration in Orchard Area, Amphawa District, Samut Songkram Province, Thailand

Authors: Sisuwan Kaseamsawat, Sivapan Choo-In

Abstract:

A study was conducted in May to July 2013 with the aim of determination of heavy metal concentration in orchard area. 60 samples were collected and analyzed for Cadmium (Cd), Copper (Cu), Lead (Pb), and Zinc (Zn) by Atomic Absorption Spectrophotometer (AAS).

The heavy metal concentrations in sediment of orchards, that use chemical for Cd (1.13 ± 0.26 mg/l), Cu (8.00 ± 1.05 mg/l), Pb (13.16 ± 2.01) and Zn (37.41 ± 3.20 mg/l). The heavy metal concentrations in sediment of the orchards, that do not use chemical for Cd (1.28 ± 0.50 mg/l), Cu (7.60 ± 1.20 mg/l), Pb (29.87 ± 4.88) and Zn (21.79 ± 2.98 mg/l). Statistical analysis between heavy metal in sediment from the orchard, that use chemical and the orchard, that not use chemical were difference statistic significant of 0.5 level of significant for Cd and Pb while no statistically difference for Cu and Zn.

Keywords: Heavy metal, Orchard, Pollution and monitoring, Sediment.

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1185 Application of Exact String Matching Algorithms towards SMILES Representation of Chemical Structure

Authors: Ahmad Fadel Klaib, Zurinahni Zainol, Nurul Hashimah Ahamed, Rosma Ahmad, Wahidah Hussin

Abstract:

Bioinformatics and Cheminformatics use computer as disciplines providing tools for acquisition, storage, processing, analysis, integrate data and for the development of potential applications of biological and chemical data. A chemical database is one of the databases that exclusively designed to store chemical information. NMRShiftDB is one of the main databases that used to represent the chemical structures in 2D or 3D structures. SMILES format is one of many ways to write a chemical structure in a linear format. In this study we extracted Antimicrobial Structures in SMILES format from NMRShiftDB and stored it in our Local Data Warehouse with its corresponding information. Additionally, we developed a searching tool that would response to user-s query using the JME Editor tool that allows user to draw or edit molecules and converts the drawn structure into SMILES format. We applied Quick Search algorithm to search for Antimicrobial Structures in our Local Data Ware House.

Keywords: Exact String-matching Algorithms, NMRShiftDB, SMILES Format, Antimicrobial Structures.

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