Search results for: chemical bond

Authors: Iuliia Zarubiieva, Joyun Tseng, Vishwesh Kulkarni

Abstract:

Recent researches has focused on nucleic acids as a substrate for designing biomolecular circuits for in situ monitoring and control. A common approach is to express them by a set of idealised abstract chemical reaction networks (ACRNs). Here, we present new results on how abstract chemical reactions, viz., catalysis, annihilation and degradation, can be used to implement circuit that accurately computes logarithm function using the method of Arithmetic-Geometric Mean (AGM), which has not been previously used in conjunction with ACRNs.

Keywords: Abstract chemical reaction network, DNA strand displacement, natural logarithm.

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

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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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Authors: Rachid El Aidani, Phuong Nguyen-Tri, Toan Vu-Khanh

Abstract:

This study intends to show the influence of the hydrolytic degradation on the properties of the e-PTFE/NOMEX® membranes used in fire-protective clothing. The modification of water vapour permeability, morphology and chemical structure was examined by MOCON Permatran, electron microscopy scanning (SEM), and ATR-FTIR, respectively. A decrease in permeability to water vapour of the aged samples was observed following closure of transpiration pores. Analysis of fiber morphology indicates the appearance of defects at the fibers surface with the presence of micro cavities. ATR-FTIR analysis reveals the presence of a new absorption band attributed to carboxylic acid terminal groups generated during the amide bond hydrolysis.

Keywords: Hydrolytic ageing, moisture membrane; water vapor permeability, morphology.

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Authors: M. S. Gaafar, S. Y. Marzouk

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Sodium borosilicate glasses doped with different content of NdF3 mol % have been prepared by rapid quenching method. Ultrasonic velocities (both longitudinal and shear) measurements have been carried out at room temperature and at ultrasonic frequency of 4 MHz. Elastic moduli, Debye temperature, softening temperature and Poisson's ratio have been obtained as a function of NdF3 modifier content. Results showed that the elastic moduli, Debye temperature, softening temperature and Poisson's ratio have very slight change with the change of NdF3 mol % content. Based on FTIR spectroscopy and theoretical (Bond compression) model, quantitative analysis has been carried out in order to obtain more information about the structure of these glasses. The study indicated that the structure of these glasses is mainly composed of SiO4 units with four bridging oxygens (Q4), and with three bridging and one nonbridging oxygens (Q3).

Keywords: Borosilicate glasses, ultrasonic velocity, elastic moduli, FTIR spectroscopy, bond compression model.

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Authors: Setareh Shekarsaraei, Marjan Moridi, Nasser L. Hadipour

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In this study, nuclear magnetic resonance spectroscopy and nuclear quadrupole resonance spectroscopy parameters of 14N (Nitrogen in imidazole ring) in N–H…O hydrogen bonding for Histidine hydrochloride monohydrate were calculated via density functional theory. We considered a five-molecule model system of Histidine hydrochloride monohydrate. Also we examined the trends of environmental effect on hydrogen bonds as well as cooperativity. The functional used in this research is M06-2X which is a good functional and the obtained results has shown good agreement with experimental data. This functional was applied to calculate the NMR and NQR parameters. Some correlations among NBO parameters, NMR and NQR parameters have been studied which have shown the existence of strong correlations among them. Furthermore, the geometry optimization has been performed using M062X/6-31++G(d,p) method. In addition, in order to study cooperativity and changes in structural parameters, along with increase in cluster size, natural bond orbitals have been employed.

Keywords: Hydrogen bonding, Density Functional Theory (DFT), Natural bond Orbitals (NBO), cooperativity effects.

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Authors: Alicia Y. C. Tang, Rukaini Hj. Abdullah, Sharifuddin M. Zain

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This paper discusses the development of a qualitative simulator (abbreviated QRiOM) for predicting the behaviour of organic chemical reactions. The simulation technique is based on the qualitative process theory (QPT) ontology. The modelling constructs of QPT embody notions of causality which can be used to explain the behaviour of a chemical system. The major theme of this work is that, in a qualitative simulation environment, students are able to articulate his/her knowledge through the inspection of explanations generated by software. The implementation languages are Java and Prolog. The software produces explanation in various forms that stresses on the causal theories in the chemical system which can be effectively used to support learning.

Keywords: Chemical reactions, explanation, qualitative processtheory, simulation

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Authors: K. Abbas, R. Ahmad, I. A. Khan, S. Saleem, U. Ikhlaq

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Nitriding of p-type Si samples by pulsed DC glow discharge is carried out for different Ar concentrations (30% to 90%) in nitrogen-argon plasma whereas the other parameters like pressure (2 mbar), treatment time (4 hr) and power (175 W) are kept constant. The phase identification, crystal structure, crystallinity, chemical composition, surface morphology and topography of the nitrided layer are studied using X-ray diffraction (XRD), Fourier transform infra-red spectroscopy (FTIR), optical microscopy (OM), scanning electron microscopy (SEM) and atomic force microscopy (AFM) respectively. The XRD patterns reveal the development of different diffraction planes of Si₃N₄ confirming the formation of polycrystalline layer. FTIR spectrum confirms the formation of bond between Si and N. Results reveal that addition of Ar into N₂ plasma plays an important role to enhance the production of active species which facilitate the nitrogen diffusion.

Keywords: Crystallinity, glow discharge, nitriding, sputtering.

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

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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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Authors: F. Atheer, Al-Saoudi, Robin Kalfat, Riadh Al-Mahaidi

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Over the last two decades, externally bonded fiber reinforced polymer (FRP) composites bonded to concrete substrates has become a popular method for strengthening reinforced concrete (RC) highway and railway bridges. Such structures are exposed to severe cyclic loading throughout their lifetime often resulting in fatigue damage to structural components and a reduction in the service life of the structure. Since experimental and numerical results on the fatigue performance of FRP-to-concrete joints are still limited, the current research focuses on assessing the fatigue performance of externally bonded FRP-to-concrete joints using a direct shear test. Some early results indicate that the stress ratio and the applied cyclic stress level have a direct influence on the fatigue life of the externally bonded FRP. In addition, a calibrated finite element model is developed to provide further insight into the influence of certain parameters such as: concrete strength, FRP thickness, number of cycles, frequency, and stiffness on the fatigue life of the FRP-toconcrete joints.

Keywords: FRP, concrete bond, control, fatigue, finite element model.

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

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

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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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Authors: Guohua Cao, Xu Dong

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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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Authors: B. Nečasová, P. Liška, J. Šlanhof

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Verification of vented wooden façade system with bonded joints is presented in this paper. The potential of bonded joints is studied and described in more detail. The paper presents the results of an experimental and theoretical research about the effects of freeze cycling on the bonded joint. For the purpose of tests spruce timber profiles were chosen for the load bearing substructure. Planks from wooden plastic composite and Siberian larch are representing facade cladding. Two types of industrial polyurethane adhesives intended for structural bonding were selected. The article is focused on the preparation as well as on the subsequent curing and conditioning of test samples. All test samples were subjected to 15 cycles that represents sudden temperature changes, i.e. immersion in a water bath at (293.15 ± 3) K for 6 hours and subsequent freezing to (253.15 ± 2) K for 18 hours. Furthermore, the retention of bond strength between substructure and cladding wastested and strength in shear was determined under tensile stress.Research data indicate that little, if any, damage to the bond results from freezingcycles. Additionally, the suitability of selected group of adhesives in combination with timber substructure was confirmed.

Keywords: Adhesive system, bonded joints, wooden lightweight façade, timber substructure.

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Authors: Ibrahim Abdul Razak, Suhana Arshad, Nur Rafikah Razali, Azhar Abdul Rahman, Mohd Sukeri Mohd Yusof

Abstract:

Theoretical investigations are performed by DFT method of B3LYP/6-31G+(2d,p) and B3LYP/6-311G+(2d,p) basis sets for three carbonyl thiourea compounds, namely N-[(2,6-Diethylphenyl)carbamothioyl]-2,2-diphenylacetamide (Compound I), N-[(3-Ethylphenyl)carbamothioyl]-2,2-diphenylacetamide (Compound II) and 2,2-Diphenyl-N-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide (Compound III). Theoretical calculations for bond parameters, harmonic vibration frequencies and isotropic chemical shifts are in good agreement with the experimental results. The calculated molecular vibrations show good correlation values, which are 0.998 and 0.999 with the experimental data. The energy gap for compounds I, II and III calculated at B3LYP/6-31G+(2d,p) basis set are 4.455866117, 4.297495791 and 4.313550514 eV respectively, while for B3LYP/6-311G+(2d,p) basis set the energy gap obtained are 4.453689205 (Compound I), 4.311373603 (Compound II) and 4.315727426 (Compound III) eV.

Keywords: Crystallization, DFT studies, Spectroscopic Analysis, Thiourea.

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Authors: Sisuwan Kaseamsawat, Sivapan Choo-In

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

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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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Authors: Pandiyarajan Thangaraj, Mangalaraja Ramalinga Viswanathan, Karthikeyan Balasubramanian, Héctor D. Mansilla, José Ruiz, David Contreras

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In this work, we report, a systematic study on the structural and optical properties of Pr-doped ZnO nanostructures and PVA:Zn98Pr2O polymer matrix nanocomposites free standing films. These particles are synthesized through simple wet chemical route and solution casting technique at room temperature, respectively. Structural studies carried out by X-ray diffraction method confirm that the prepared pure ZnO and Pr doped ZnO nanostructures are in hexagonal wurtzite structure and the microstrain is increased upon doping. TEM analysis reveals that the prepared materials are in sheet like nature. Absorption spectra show free excitonic absorption band at 370 nm and red shift for the Pr doped ZnO nanostructures. The PVA:Zn98Pr2O composite film exhibits both free excitonic and PVA absorption bands at 282 nm. Fourier transform infrared spectral studies confirm the presence of A1 (TO) and E1 (TO) modes of Zn-O bond vibration and the formation of polymer composite materials.

Keywords: Pr doped ZnO, polymer nanocomposites, optical properties.

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Authors: A. Buasri, N. Chaiyut, K. Borvornchettanuwat, N. Chantanachai, K. Thonglor

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Inorganic nanoparticles filled polymer composites have extended their multiple functionalities to various applications, including mechanical reinforcement, gas barrier, dimensional stability, heat distortion temperature, flame-retardant, and thermal conductivity. Sodium stearate-modified calcium carbonate (CaCO3) nanoparticles were prepared using surface modification method. The results showed that sodium stearate attached to the surface of CaCO3 nanoparticles with the chemical bond. The effect of modified CaCO3 nanoparticles on thermal properties of polypropylene (PP) was studied by means of differential scanning calorimetry (DSC) and Thermogravimetric analysis (TGA). It was found that CaCO3 significantly affected the crystallization temperature and crystallization degree of PP. Effect of the modified CaCO3 content on mechanical properties of PP/CaCO3 nanocomposites was also studied. The results showed that the modified CaCO3 can effectively improve the mechanical properties of PP. In comparison with PP, the impact strength of PP/CaCO3 nanocomposites increased by about 65% and the hardness increased by about 5%.

Keywords: Polypropylene Nanocomposites, Modified Calcium Carbonate, Sodium Stearate, Surface Treatment

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Authors: Behnaz Shahrokh, Garnik N. Sargsyan, Arkadi B. Harutyunyan

Abstract:

Investigations of the unimolecular decomposition of vinyl ethyl ether (VEE), vinyl propyl ether (VPE) and vinyl butyl ether (VBE) have shown that activation of the molecule of a ether results in formation of a cyclic construction - the transition state (TS), which may lead to the displacement of the thermodynamic equilibrium towards the reaction products. The TS is obtained by applying energy minimization relative to the ground state of an ether under the program MM2 when taking into account the hydrogen bond formation between a hydrogen atom of alkyl residue and the extreme atom of carbon of the vinyl group. The dissociation of TS up to the products is studied by energy minimization procedure using the mathematical program Gaussian. The obtained calculation data for VEE testify that the decomposition of this ether may be conditioned by hydrogen bond formation for two possible versions: when α- or β- hydrogen atoms of the ethyl group are bound to carbon atom of the vinyl group. Applying the same calculation methods to other ethers (VPE and VBE) it is shown that only in the case of hydrogen bonding between α-hydrogen atom of the alkyl residue and the extreme atom of carbon of the vinyl group (αH---C) results in decay of theses ethers.

Keywords: Gaussian, MM2, ethers, TS, decomposition

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Authors: Ihuarulam Ambrose Ikenna

Abstract:

In the past few decades, the field of chemistry education has grown tremendously and researches indicated that after traditional chemistry instruction students often lacked deep conceptual understanding and failed to integrate their ideas into coherent conceptual framework. For several concepts in chemistry, students at all levels have demonstrated difficulty in changing their initial perceptions. Their perceptions are most often wrong and don't agree with correct scientific concepts. This study explored the effectiveness of intervention discussion sections for a college general chemistry course designed to apply research on students preconceptions, knowledge integration and student explanation. Three interventions discussions lasting three hours on bond energy and spontaneity were done tested and intervention (treatment) students’ performances were compared with that of control group which did not use the experimental pedagogy. Results indicated that this instruction which was capable of identifying students' misconceptions, initial conceptions and integrating those ideas into class discussion led to enhanced conceptual understanding and better achievement for the experimental group.

Keywords: Intervention Discussion Learning Model, Learning, Remedying, Students’ misconceptions.

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Authors: Sharmina Begum, M. G. Rasul, Delwar Akbar

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Solid waste can be considered as an urban burden or as a valuable resource depending on how it is managed. To meet the rising demand for energy and to address environmental concerns, a conversion from conventional energy systems to renewable resources is essential. For the sustainability of human civilization, an environmentally sound and techno-economically feasible waste treatment method is very important to treat recyclable waste. Several technologies are available for realizing the potential of solid waste as an energy source, ranging from very simple systems for disposing of dry waste to more complex technologies capable of dealing with large amounts of industrial waste. There are three main pathways for conversion of waste material to energy: thermo chemical, biochemical and physicochemical. This paper investigates the thermo chemical conversion of solid waste for energy recovery. The processes, advantages and dis-advantages of various thermo chemical conversion processes are discussed and compared. Special attention is given to Gasification process as it provides better solutions regarding public acceptance, feedstock flexibility, near-zero emissions, efficiency and security. Finally this paper presents comparative statements of thermo chemical processes and introduces an integrated waste management system.

Keywords: Gasification, Incineration, Pyrolysis, Thermo chemical conversion.

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Authors: Abdurahman H. N., M. Nuraini

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Experimental data are presented to show the influence of different types of chemical demulsifier on the stability and demulsification of emulsions. Three groups of demulsifier with different functional groups were used in this work namely amines, alcohol and polyhydric alcohol. The results obtained in this study have exposed the capability of chemical breaking agents in destabilization of water in crude oil emulsions. From the present study, found that molecular weight of the demulsifier were influent the capability of the emulsion to separate.

Keywords: Demulsification, emulsions, stability, breakingagent, destabilization.

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Authors: Siti Kudnie Sahari, Jane Chai Hai Sing, Khairuddin Ab. Hamid

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Shrunken patterning for integrated device manufacturing requires surface cleanliness and surface smoothness in wet chemical processing [1]. It is necessary to control all process parameters perfectly especially for the common cleaning technique RCA clean (SC-1 and SC-2) [2]. In this paper the characteristic and effect of surface preparation parameters are discussed. The properties of RCA wet chemical processing in silicon technology is based on processing time, temperature, concentration and megasonic power of SC-1 and QDR. An improvement of wafer surface preparation by the enhanced variables of the wet cleaning chemical process is proposed.

Keywords: RCA, SC-1, SC-2, QDR

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Authors: Parizad Sheikhi, Mohammad Talaeipour

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the effects of refining and alkaline chemicals on potential of recycling bleached chemical pulp of bagasse were investigated in this study. Recycling was done until three times. Handsheet properties such as, apparent density, light scattering coefficient, tear index, burst index, breaking length, and fold number according to TAPPI standard were measured. Water retention value also was used to considering the treatments during recycling. Refining enhanced the strength of recycled pulp by increasing fiber flexibility and swelling ability, whereas by applying chemical treatment didn't observe any improvement. The morphology of recycled fiber was considered with scanning electron microscopy (SEM).

Keywords: Bagasse pulp, chemical treatment, recycling, refining, scanning electron microscopy, water retention value.

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Authors: B. R. Phanikumar, Sana Suri

Abstract:

Expansive soils swell when they absorb water and shrink when water evaporates from them. Hence, lightly loaded civil engineering structures founded in these soils are subjected to severe distress. Therefore, there is a need to ameliorate or improve these swelling soils through some innovative methods. This paper discusses chemical stabilisation of expansive soils, a technique in which chemical reagents such as lime and calcium chloride are added to expansive soils to reduce the volumetric changes occurring in expansive soils and to improve their engineering behaviour.

Keywords: Expansive soils, swelling, shrinkage, amelioration, lime, calcium chloride.

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Authors: N. Dahbi, D-E. Arafah

Abstract:

The effect of chemical treatment in CdCl2 on the compositional changes and defect structures of potentially useful ZnS solar cell thin films prepared by vacuum deposition method was studied using the complementary Rutherford backscattering (RBS) and Thermoluminesence (TL) techniques. A series of electron and hole traps are found in the various as deposited samples studied. After treatment, perturbation on the intensity is noted; mobile defect states and charge conversion and/or transfer between defect states are found.

Keywords: chemical treatment, defect, glow curve, RBS, thinfilm, thermoluminescence, ZnS, vacuum deposition

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Authors: T. G. Emam

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The effect of variable chemical reaction on heat and mass transfer characteristics over unsteady stretching surface embedded in a porus medium is studied. The governing time dependent boundary layer equations are transformed into ordinary differential equations containing chemical reaction parameter, unsteadiness parameter, Prandtl number and Schmidt number. These equations have been transformed into a system of first order differential equations. MATHEMATICA has been used to solve this system after obtaining the missed initial conditions. The velocity gradient, temperature, and concentration profiles are computed and discussed in details for various values of the different parameters.

Keywords: Heat and mass transfer, stretching surface, chemical reaction, porus medium.

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Authors: M. J. Go, H. S. Shin, D. W. Kim, D. Chang, S. B. Han, J. M. Hur, B. R. Chung, J. K. Choi, J. Fan

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This study developed a high efficient and combined biological and chemical filter treatment process. This process used PAC (Powder Activated Carbon), Alum and attached growth treatment process. The system removals of total nitrogen and total phosphorus ratio of two were as high as 70% and 73%, moreover, the effluent water was suitable to urban and agricultural water. Also the advantages of this process are not only occupies small place but is simple, economic and easy operating. Besides, our developed process can keep stable process efficiency even in relative low load level. Therefore, this study judges that use of the high efficient and combined biological and chemical filter treatment process, it is expected that the effluent water in this system can be reused as urban and agricultural water.

Keywords: biological and chemical filter treatment, wastewaterreuse, PAC, Alum

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Authors: J. Geiser, R. Röhle

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In this paper we present discretization and decomposition methods for a multi-component transport model of a chemical vapor deposition (CVD) process. CVD processes are used to manufacture deposition layers or bulk materials. In our transport model we simulate the deposition of thin layers. The microscopic model is based on the heavy particles, which are derived by approximately solving a linearized multicomponent Boltzmann equation. For the drift-process of the particles we propose diffusionreaction equations as well as for the effects of heat conduction. We concentrate on solving the diffusion-reaction equation with analytical and numerical methods. For the chemical processes, modelled with reaction equations, we propose decomposition methods and decouple the multi-component models to simpler systems of differential equations. In the numerical experiments we present the computational results of our proposed models.

Keywords: Chemical reactions, chemical vapor deposition, convection-diffusion-reaction equations, decomposition methods, multi-component transport.

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Authors: Noor Fadiya Mohd Noor

Abstract:

The hydromagnetic flow of a Maxwell fluid past a vertical stretching sheet with thermophoresis is considered. The impact of chemical reaction species to the flow is analyzed for the first time by using the homotopy analysis method (HAM). The h-curves for the flow boundary layer equations are presented graphically. Several values of wall skin friction, heat and mass transfer are obtained and discussed.

Keywords: homotopy, MHD, thermophoresis, chemical reaction, Maxwell

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