Application of Computational Methods Mm2 and Gussian for Studing Unimolecular Decomposition of Vinil Ethers based on the Mechanism of Hydrogen Bonding

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.

Analysis of Combustion, Performance and Emission Characteristics of Turbocharged LHR Extended Expansion DI Diesel Engine

The fundamental aim of extended expansion concept is to achieve higher work done which in turn leads to higher thermal efficiency. This concept is compatible with the application of turbocharger and LHR engine. The Low Heat Rejection engine was developed by coating the piston crown, cylinder head inside with valves and cylinder liner with partially stabilized zirconia coating of 0.5 mm thickness. Extended expansion in diesel engines is termed as Miller cycle in which the expansion ratio is increased by reducing the compression ratio by modifying the inlet cam for late inlet valve closing. The specific fuel consumption reduces to an appreciable level and the thermal efficiency of the extended expansion turbocharged LHR engine is improved. In this work, a thermodynamic model was formulated and developed to simulate the LHR based extended expansion turbocharged direct injection diesel engine. It includes a gas flow model, a heat transfer model, and a two zone combustion model. Gas exchange model is modified by incorporating the Miller cycle, by delaying inlet valve closing timing which had resulted in considerable improvement in thermal efficiency of turbocharged LHR engines. The heat transfer model, calculates the convective and radiative heat transfer between the gas and wall by taking into account of the combustion chamber surface temperature swings. Using the two-zone combustion model, the combustion parameters and the chemical equilibrium compositions were determined. The chemical equilibrium compositions were used to calculate the Nitric oxide formation rate by assuming a modified Zeldovich mechanism. The accuracy of this model is scrutinized against actual test results from the engine. The factors which affect thermal efficiency and exhaust emissions were deduced and their influences were discussed. In the final analysis it is seen that there is an excellent agreement in all of these evaluations.

Stability Analysis of Impulsive BAM Fuzzy Cellular Neural Networks with Distributed Delays and Reaction-diffusion Terms

In this paper, a class of impulsive BAM fuzzy cellular neural networks with distributed delays and reaction-diffusion terms is formulated and investigated. By employing the delay differential inequality and inequality technique developed by Xu et al., some sufficient conditions ensuring the existence, uniqueness and global exponential stability of equilibrium point for impulsive BAM fuzzy cellular neural networks with distributed delays and reaction-diffusion terms are obtained. In particular, the estimate of the exponential convergence rate is also provided, which depends on system parameters, diffusion effect and impulsive disturbed intention. It is believed that these results are significant and useful for the design and applications of BAM fuzzy cellular neural networks. An example is given to show the effectiveness of the results obtained here.

Designing an Irregular Tensegrity as a Monumental Object

A novel and versatile numerical technique to solve a self-stress equilibrium state is adopted herein as a form-finding procedure for an irregular tensegrity structure. The numerical form-finding scheme of a tensegrity structure uses only the connectivity matrix and prototype tension coefficient vector as the initial guess solution. Any information on the symmetrical geometry or other predefined initial structural conditions is not necessary to get the solution in the form-finding process. An eight-node initial condition example is presented to demonstrate the efficiency and robustness of the proposed method in the form-finding of an irregular tensegrity structure. Based on the conception from the form-finding of an eight-node irregular tensegrity structure, a monumental object is designed by considering the real world situation such as self-weight, wind and earthquake loadings.

Durability Study Partially Saturated Fly Ash Blended Cement Concrete

This paper presents the experimental results of the investigation of various properties related to the durability and longterm performance of mortars made of Fly Ash blended cement, FA and Ordinary Portland cement, OPC. The properties that were investigated in an experimental program include; equilibration of specimen in different relative humidity, determination of total porosity, compressive strength, chloride permeability index, and electrical resistivity. Fly Ash blended cement mortar specimens exhibited 10% to 15% lower porosity when measured at equilibrium conditions in different relative humidities as compared to the specimens made of OPC mortar, which resulted in 6% to 8% higher compressive strength of FA blended cement mortar specimens. The effects of ambient relative humidity during sample equilibration on porosity and strength development were also studied. For specimens equilibrated in higher relative humidity conditions, such as 75%, the total porosity of different mortar specimens was between 35% to 50% less than the porosity of samples equilibrated in 12% relative humidity, consequently leading to higher compressive strengths of these specimens.A valid statistical correlation between values of compressive strength, porosity and the degree of saturation was obtained. Measured values of chloride permeability index of fly ash blended cement mortar were obtained as one fourth to one sixth of those measured for OPC mortar specimens, which indicates high resistance against chloride ion penetration in FA blended cement specimens, hence resulting in a highly durable mortar.

International Financial Crises and the Political Economy of Financial Reforms in Turkey: 1994-2009

This study1 holds for the formation of international financial crisis and political factors for economic crisis in Turkey, are evaluated in chronological order. The international arena and relevant studies conducted in Turkey work in the literature are assessed. The main purpose of the study is to hold the linkage between the crises and political stability in Turkey in details, and to examine the position of Turkey in this regard. The introduction part follows the literature survey on the models explaining causes and results of the crises, the second part of the study. In the third part, the formations of the world financial crises are studied. The fourth part, financial crisis in Turkey in 1994, 2000, 2001 and 2008 are reviewed and their political reasons are analyzed. In the last part of the study the results and recommendations are held. Political administrations have laid the grounds for an economic crisis in Turkey. In this study, the emergence of an economic crisis in Turkey and the developments after the crisis are chronologically examined and an explanation is offered as to the cause and effect relationship between the political administration and economic equilibrium in the country. Economic crises can be characterized as follows: high prices of consumables, high interest rates, current account deficits, budget deficits, structural defects in government finance, rising inflation and fixed currency applications, rising government debt, declining savings rates and increased dependency on foreign capital stock. Entering into the conditions of crisis during a time when the exchange value of the country-s national currency was rising, speculative finance movements and shrinking of foreign currency reserves happened due to expectations for devaluation and because of foreign investors- resistance to financing national debt, and a financial risk occurs. During the February 2001 crisis and immediately following, devaluation and reduction of value occurred in Turkey-s stock market. While changing over to the system of floating exchange rates in the midst of this crisis, the effects of the crisis on the real economy are discussed in this study. Administered politics include financial reforms, such as the rearrangement of banking systems. These reforms followed with the provision of foreign financial support. There have been winners and losers in the imbalance of income distribution, which has recently become more evident in Turkey-s fragile economy.

A Comparison of Conventional and Biodegradable Chelating Agent in Different Type of Surfactant Solutions for Soap Scum Removal

One of the most challenges for hard surface cleaning product is to get rid of soap scum, a filmy sticky layer in the bathroom. The deposits of soap scum can be removed by using a proper surfactant solution with chelating agent. Unfortunately, the conventional chelating agent, ethylenediamine tetraacetic acid (EDTA), has low biodegradability, which can be tolerance in water resources and harmful to aquatic animal and microorganism. In this study, two biodegradable chelating agents, ethylenediamine disuccinic acid (EDDS) and glutamic acid diacetic acid (GLDA) were introduced as a replacement of EDTA. The result shows that using GLDA with amphoteric surfactant gave the highest equilibrium solubility of soap scum.

A Quality Optimization Approach: An Application on Next Generation Networks

The next generation wireless systems, especially the cognitive radio networks aim at utilizing network resources more efficiently. They share a wide range of available spectrum in an opportunistic manner. In this paper, we propose a quality management model for short-term sub-lease of unutilized spectrum bands to different service providers. We built our model on competitive secondary market architecture. To establish the necessary conditions for convergent behavior, we utilize techniques from game theory. Our proposed model is based on potential game approach that is suitable for systems with dynamic decision making. The Nash equilibrium point tells the spectrum holders the ideal price values where profit is maximized at the highest level of customer satisfaction. Our numerical results show that the price decisions of the network providers depend on the price and QoS of their own bands as well as the prices and QoS levels of their opponents- bands.

Mathematical Model for Dengue Disease with Maternal Antibodies

Mathematical models can be used to describe the dynamics of the spread of infectious disease between susceptibles and infectious populations. Dengue fever is a re-emerging disease in the tropical and subtropical regions of the world. Its incidence has increased fourfold since 1970 and outbreaks are now reported quite frequently from many parts of the world. In dengue endemic regions, more cases of dengue infection in pregnancy and infancy are being found due to the increasing incidence. It has been reported that dengue infection was vertically transmitted to the infants. Primary dengue infection is associated with mild to high fever, headache, muscle pain and skin rash. Immune response includes IgM antibodies produced by the 5th day of symptoms and persist for 30-60 days. IgG antibodies appear on the 14th day and persist for life. Secondary infections often result in high fever and in many cases with hemorrhagic events and circulatory failure. In the present paper, a mathematical model is proposed to simulate the succession of dengue disease transmission in pregnancy and infancy. Stability analysis of the equilibrium points is carried out and a simulation is given for the different sets of parameter. Moreover, the bifurcation diagrams of our model are discussed. The controlling of this disease in infant cases is introduced in the term of the threshold condition.

Dependence of Equilibrium, Kinetics and Thermodynamics of Zn (II) Ions Sorption from Water on Particle Size of Natural Hydroxyapatite Extracted from Bone Ash

Heavy metals have bad effects on environment and soils and it can uptake by natural HAP .natural Hap is an inexpensive material that uptake large amounts of various heavy metals like Zn (II) .Natural HAP (N-HAP), extracted from bovine cortical bone ash, is a good choice for substitution of commercial HAP. Several experiments were done to investigate the sorption capacity of Zn (II) to N-HAP in various particles sizes, temperatures, initial concentrations, pH and reaction times. In this study, the sorption of Zinc ions from a Zn solution onto HAP particles with sizes of 1537.6 nm and 47.6 nm at three initial pH values of 4.50, 6.00 and 7.50 was studied. The results showed that better performance was obtained through a 47.6 nm particle size and higher pH values. The experimental data were analyzed using Langmuir, Freundlich, and Arrhenius equations for equilibrium, kinetic and thermodynamic studies. The analysis showed a maximum adsorption capacity of NHAP as being 1.562 mmol/g at a pH of 7.5 and small particle size. Kinetically, the prepared N-HAP is a feasible sorbent that retains Zn (II) ions through a favorable and spontaneous sorption process.

On Stability of Stiffened Cylindrical Shells with Varying Material Properties

The static stability analysis of stiffened functionally graded cylindrical shells by isotropic rings and stringers subjected to axial compression is presented in this paper. The Young's modulus of the shell is taken to be function of the thickness coordinate. The fundamental relations, the equilibrium and stability equations are derived using the Sander's assumption. Resulting equations are employed to obtain the closed-form solution for the critical axial loads. The effects of material properties, geometric size and different material coefficient on the critical axial loads are examined. The analytical results are compared and validated using the finite element model.

Impregnation of Cupper into Kanuma Volcanic Ash Soil to Improve Mercury Sorption Capacity

The present study attempted to improve the Mercury (Hg) sorption capacity of kanuma volcanic ash soil (KVAS) by impregnating the cupper (Cu). Impregnation was executed by 1 and 5% Cu powder and sorption characterization of optimum Hg removing Cu impregnated KVAS was performed under different operational conditions, contact time, solution pH, sorbent dosage and Hg concentration using the batch operation studies. The 1% Cu impregnated KVAS pronounced optimum improvement (79%) in removing Hg from water compare to control. The present investigation determined the equilibrium state of maximum Hg adsorption at 6 h contact period. The adsorption revealed a pH dependent response and pH 3.5 showed maximum sorption capacity of Hg. Freundlich isotherm model is well fitted with the experimental data than that of Langmuir isotherm. It can be concluded that the Cu impregnation improves the Hg sorption capacity of KVAS and 1% Cu impregnated KVAS could be employed as cost-effective adsorbent media for treating Hg contaminated water.

Using Non-Linear Programming Techniques in Determination of the Most Probable Slip Surface in 3D Slopes

Among many different methods that are used for optimizing different engineering problems mathematical (numerical) optimization techniques are very important because they can easily be used and are consistent with most of engineering problems. Many studies and researches are done on stability analysis of three dimensional (3D) slopes and the relating probable slip surfaces and determination of factors of safety, but in most of them force equilibrium equations, as in simplified 2D methods, are considered only in two directions. In other words for decreasing mathematical calculations and also for simplifying purposes the force equilibrium equation in 3rd direction is omitted. This point is considered in just a few numbers of previous studies and most of them have only given a factor of safety and they haven-t made enough effort to find the most probable slip surface. In this study shapes of the slip surfaces are modeled, and safety factors are calculated considering the force equilibrium equations in all three directions, and also the moment equilibrium equation is satisfied in the slip direction, and using nonlinear programming techniques the shape of the most probable slip surface is determined. The model which is used in this study is a 3D model that is composed of three upper surfaces which can cover all defined and probable slip surfaces. In this research the meshing process is done in a way that all elements are prismatic with quadrilateral cross sections, and the safety factor is defined on this quadrilateral surface in the base of the element which is a part of the whole slip surface. The method that is used in this study to find the most probable slip surface is the non-linear programming method in which the objective function that must get optimized is the factor of safety that is a function of the soil properties and the coordinates of the nodes on the probable slip surface. The main reason for using non-linear programming method in this research is its quick convergence to the desired responses. The final results show a good compatibility with the previously used classical and 2D methods and also show a reasonable convergence speed.

A New Robust Stability Criterion for Dynamical Neural Networks with Mixed Time Delays

In this paper, we investigate the problem of the existence, uniqueness and global asymptotic stability of the equilibrium point for a class of neural networks, the neutral system has mixed time delays and parameter uncertainties. Under the assumption that the activation functions are globally Lipschitz continuous, we drive a new criterion for the robust stability of a class of neural networks with time delays by utilizing the Lyapunov stability theorems and the Homomorphic mapping theorem. Numerical examples are given to illustrate the effectiveness and the advantage of the proposed main results.

Removal of Pb (II) from Aqueous Solutions using Fuller's Earth

Fuller’s earth is a fine-grained, naturally occurring substance that has a substantial ability to adsorb impurities. In the present study Fuller’s earth has been characterized and used for the removal of Pb(II) from aqueous solution. The effect of various physicochemical parameters such as pH, adsorbent dosage and shaking time on adsorption were studied. The result of the equilibrium studies showed that the solution pH was the key factor affecting the adsorption. The optimum pH for adsorption was 5. Kinetics data for the adsorption of Pb(II) was best described by pseudo-second order model. The effective diffusion co-efficient for Pb(II) adsorption was of the order of 10-8 m2/s. The adsorption data for metal adsorption can be well described by Langmuir adsorption isotherm. The maximum uptake of metal was 103.3 mg/g of adsorbent. Mass transfer analysis was also carried out for the adsorption process. The values of mass transfer coefficients obtained from the study indicate that the velocity of the adsorbate transport from bulk to the solid phase was quite fast. The mean sorption energy calculated from Dubinin-Radushkevich isotherm indicated that the metal adsorption process was chemical in nature. 

Nutrient Modelling to Fabricate Dairy Milk Constituents: Let Milk Serve More Than a Food Item

Dietary macro and micro nutrients in their respective proportion and fractions present a practical potential tool to fabricate milk constituents since cells of lactating mammary glands obtain about 80 % of milk synthesis nutrients from blood, reflecting the existence of an isotonic equilibrium between blood and milk. Diverting milk biosynthetic activities through manipulation of nutrients towards producing milk not only keeping in view its significance as natural food but also as food item which prevents or dilutes the adverse effects of some diseases (like cardiovascular problem by saturated milk fat intake) has been area of interest in the last decade. Nutritional modification / supplementation has been reported to enhance conjugated linoleic acid, fatty acid type and concentration, essential fatty acid concentration, vitamin B12& C, Se, Cu, I and Fe which are involved to counter the health threats to human well being. Synchronizing dietary nutrients aimed to modify rumen dynamics towards synthesis of nutrients or their precursors to make their drive towards formulated milk constituents presents a practical option. Formulating dietary constituents to design milk constituents will let the farmers, consumers and investors know about the real potential and profit margins associated with this enterprise. This article briefly recapitulates the ways and means to modify milk constituents keeping an eye on human health and well being issues, which allows milk to serve more than a food item.

Mathematical Approach for Large Deformation Analysis of the Stiffened Coupled Shear Walls

Shear walls are used in most of the tall buildings for carrying the lateral load. When openings for doors or windows are necessary to be existed in the shear walls, a special type of the shear walls is used called "coupled shear walls" which in some cases is stiffened by specific beams and so, called "stiffened coupled shear walls". In this paper, a mathematical method for geometrically nonlinear analysis of the stiffened coupled shear walls has been presented. Then, a suitable formulation for determining the critical load of the stiffened coupled shear walls under gravity force has been proposed. The governing differential equations for equilibrium and deformation of the stiffened coupled shear walls have been obtained by setting up the equilibrium equations and the moment-curvature relationships for each wall. Because of the complexity of the differential equation, the energy method has been adopted for approximate solution of the equations.

Hexavalent Chromium Removal from Aqueous Solutions by Adsorption onto Synthetic Nano Size ZeroValent Iron (nZVI)

The present work was conducted for the synthesis of nano size zerovalent iron (nZVI) and hexavalent chromium (Cr(VI)) removal as a highly toxic pollutant by using this nanoparticles. Batch experiments were performed to investigate the effects of Cr(VI), nZVI concentration, pH of solution and contact time variation on the removal efficiency of Cr(VI). nZVI was synthesized by reduction of ferric chloride using sodium borohydrid. SEM and XRD examinations applied for determination of particle size and characterization of produced nanoparticles. The results showed that the removal efficiency decreased with Cr(VI) concentration and pH of solution and increased with adsorbent dosage and contact time. The Langmuir and Freundlich isotherm models were used for the adsorption equilibrium data and the Langmuir isotherm model was well fitted. Nanoparticle ZVI presented an outstanding ability to remove Cr(VI) due to high surface area, low particle size and high inherent activity.

GenCos- Optimal Bidding Strategy Considering Market Power and Transmission Constraints: A Cournot-based Model

Restructured electricity markets may provide opportunities for producers to exercise market power maintaining prices in excess of competitive levels. In this paper an oligopolistic market is presented that all Generation Companies (GenCos) bid in a Cournot model. Genetic algorithm (GA) is applied to obtain generation scheduling of each GenCo as well as hourly market clearing prices (MCP). In order to consider network constraints a multiperiod framework is presented to simulate market clearing mechanism in which the behaviors of market participants are modelled through piecewise block curves. A mixed integer linear programming (MILP) is employed to solve the problem. Impacts of market clearing process on participants- characteristic and final market prices are presented. Consequently, a novel multi-objective model is addressed for security constrained optimal bidding strategy of GenCos. The capability of price-maker GenCos to alter MCP is evaluated through introducing an effective-supply curve. In addition, the impact of exercising market power on the variation of market characteristics as well as GenCos scheduling is studied.

On the Exact Solution of Non-Uniform Torsion for Beams with Asymmetric Cross-Section

This paper deals with the problem of non-uniform torsion in thin-walled elastic beams with asymmetric cross-section, removing the basic concept of a fixed center of twist, necessary in the Vlasov-s and Benscoter-s theories to obtain a warping stress field equivalent to zero. In this new torsion/flexure theory, despite of the classical ones, the warping function will punctually satisfy the first indefinite equilibrium equation along the beam axis and it wont- be necessary to introduce the classical congruence condition, to take into account the effect of the beam restraints. The solution, based on the Fourier development of the displacement field, is obtained assuming that the applied external torque is constant along the beam axis and on both beam ends the unit twist angle and the warping axial displacement functions are totally restrained. Finally, in order to verify the feasibility of the proposed method and to compare it with the classical theories, two applications are carried out. The first one, relative to an open profile, is necessary to test the numerical method adopted to find the solution; the second one, instead, is relative to a simplified containership section, considered as full restrained in correspondence of two adjacent transverse bulkheads.