Search results for: Chemical reaction optimization

Authors: A. Amar

Abstract:

Analysis of the elastic scattering of protons on ¹⁰B nuclei has been done in the framework of the optical model and single folding model at the beam energies up to 17 MeV. We could enhance the optical potential parameters using Esis88 Code, as well as SPI GENOA Code. Linear relationship between volume real potential (V₀) and proton energy (E_p) has been obtained. Also, surface imaginary potential W_D is proportional to the proton energy (E_p) in the range 0.400 and 17 MeV. The radiative reaction ¹⁰B(p,γ)¹¹C has been analyzed using potential model. A comparison between ¹⁰B(p,γ)¹¹C and ⁶Li(p,γ)⁷Be has been made. Good agreement has been found between theoretical and experimental results in the whole range of energy. The radiative resonance reaction ⁷Li(p,γ)⁸Be has been studied.

Keywords: Elastic scattering of protons on 10B nuclei, optical potential parameters, potential model, radiative reaction.

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Authors: N. Akhavan Moghaddam, K. Tahvildari, S.Taghvaie

Abstract:

Biodisel is a type of biofuel having similar properties of diesel fuel but lacks substances (undesirable emissions) such as sulfur, nitrogen and aromatic polycyclic. Upon filtration of waste oil, the biodiesel fuel was produced via carrying out transestrification reaction of triglycerides followed by conducting viscosity, density, flash point, cloud point, pour point and copper strip corrosion tests on the samples and comparing with EN14214 and ASTM 6751 standards and all results were found in the permitted limit. The highest yield of biodiesel production reaction was found 46.6435 g when Sodium Hydroxide catalyst in amount of 0.375g was employed, 44.2347 g when Sodium methoxide catalyst in amount of 0.5g was employed and 56.5124 g when acid sulfuric catalyst in amount of 1g was employed and 47.3290 g when two stage reaction was done.

Keywords: Biodiesel, Transesterification, Basic catalyst, Acidic catalyst.

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Authors: Asfaw Gezae Daful

Abstract:

In the present study, two distinctly different approaches are followed for modeling of reactive distillation column, the equilibrium stage model and the nonequilibrium stage model. These models are simulated with a computer code developed in the present study using MATLAB programming. In the equilibrium stage models, the vapor and liquid phases are assumed to be in equilibrium and allowance is made for finite reaction rates, where as in the nonequilibrium stage models simultaneous mass transfer and reaction rates are considered. These simulated model results are validated from the experimental data reported in the literature. The simulated results of equilibrium and nonequilibrium models are compared for concentration, temperature and reaction rate profiles in a reactive distillation column for Methyl Tert Butyle Ether (MTBE) production. Both the models show similar trend for the concentration, temperature and reaction rate profiles but the nonequilibrium model predictions are higher and closer to the experimental values reported in the literature.

Keywords: Reactive Distillation, Equilibrium model, Nonequilibrium model, Methyl Tert-Butyl Ether

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Authors: Mahamed G.H. Omran, Andries P Engelbrecht, Ayed Salman

Abstract:

A new dynamic clustering approach (DCPSO), based on Particle Swarm Optimization, is proposed. This approach is applied to unsupervised image classification. The proposed approach automatically determines the "optimum" number of clusters and simultaneously clusters the data set with minimal user interference. The algorithm starts by partitioning the data set into a relatively large number of clusters to reduce the effects of initial conditions. Using binary particle swarm optimization the "best" number of clusters is selected. The centers of the chosen clusters is then refined via the Kmeans clustering algorithm. The experiments conducted show that the proposed approach generally found the "optimum" number of clusters on the tested images.

Keywords: Clustering Validation, Particle Swarm Optimization, Unsupervised Clustering, Unsupervised Image Classification.

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Authors: R. Farkh, K. Laabidi, M. Ksouri

Abstract:

In this paper, we consider the control of time delay system by Proportional-Integral (PI) controller. By Using the Hermite- Biehler theorem, which is applicable to quasi-polynomials, we seek a stability region of the controller for first order delay systems. The essence of this work resides in the extension of this approach to second order delay system, in the determination of its stability region and the computation of the PI optimum parameters. We have used the genetic algorithms to lead the complexity of the optimization problem.

Keywords: Genetic algorithm, Hermit-Biehler theorem, optimization, PI controller, second order delay system, stability region.

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Authors: T. R. Alencar, P. T. Leite

Abstract:

Several optimization algorithms specifically applied to the problem of Operation Planning of Hydrothermal Power Systems have been developed and are used. Although providing solutions to various problems encountered, these algorithms have some weaknesses, difficulties in convergence, simplification of the original formulation of the problem, or owing to the complexity of the objective function. Thus, this paper presents the development of a computational tool for solving optimization problem identified and to provide the User an easy handling. Adopted as intelligent optimization technique, Genetic Algorithms and programming language Java. First made the modeling of the chromosomes, then implemented the function assessment of the problem and the operators involved, and finally the drafting of the graphical interfaces for access to the User. The program has managed to relate a coherent performance in problem resolution without the need for simplification of the calculations together with the ease of manipulating the parameters of simulation and visualization of output results.

Keywords: Energy, Optimization, Hydrothermal Power Systemsand Genetic Algorithms

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Authors: A. Nazeri, R. Ziaie Moayed, H. Ghiasinejad

Abstract:

The present research has been performed to investigate the effect of base course application on load-settlement characteristics of sandy subgrade using plate load test. The main parameter investigated in this study was the subgrade reaction coefficient. The model tests were conducted in a 1.35 m long, 1 m wide, and 1 m deep steel test box of Imam Khomeini International University (IKIU Calibration Chamber). The base courses used in this research were in three different thicknesses of 15 cm, 20 cm, and 30 cm. The test results indicated that in the case of using base course over loose sandy subgrade, the values of subgrade reaction coefficient can be increased from 7  to 132 , 224 , and 396  in presence of 15 cm, 20 cm, and 30 cm base course, respectively.

Keywords: Base course, calibration chamber, plate load test, loose sand, subgrade reaction coefficient.

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Authors: Zeshan Ahmad, Matteo Zoppi, Rezia Molfino

Abstract:

The objective of positioning the fixture elements in the fixture is to make the workpiece stiff, so that geometric errors in the manufacturing process can be reduced. Most of the work for optimal fixture layout used the minimization of the sum of the nodal deflection normal to the surface as objective function. All deflections in other direction have been neglected. We propose a new method for fixture layout optimization in this paper, which uses the element strain energy. The deformations in all the directions have been considered in this way. The objective function in this method is to minimize the sum of square of element strain energy. Strain energy and stiffness are inversely proportional to each other. The optimization problem is solved by the sequential quadratic programming method. Three different kinds of case studies are presented, and results are compared with the method using nodal deflections as objective function to verify the propose method.

Keywords: Fixture layout, optimization, strain energy, quadratic programming.

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Authors: Shahla Shoghian, Maryam Kouzehgar

Abstract:

The main objective of this paper is applying a comparison between the Wolf Pack Search (WPS) as a newly introduced intelligent algorithm with several other known algorithms including Particle Swarm Optimization (PSO), Shuffled Frog Leaping (SFL), Binary and Continues Genetic algorithms. All algorithms are applied on two benchmark cost functions. The aim is to identify the best algorithm in terms of more speed and accuracy in finding the solution, where speed is measured in terms of function evaluations. The simulation results show that the SFL algorithm with less function evaluations becomes first if the simulation time is important, while if accuracy is the significant issue, WPS and PSO would have a better performance.

Keywords: Wolf Pack Search, Particle Swarm Optimization, Continues Genetic Algorithm, Binary Genetic Algorithm, Shuffled Frog Leaping, Optimization.

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Authors: Muhammad R. Islam, Mohammad Dalour H. Beg, Saidatul S. Jamari

Abstract:

Considering palm oil as non-drying oil owing to its low iodine value, an attempt was taken to increase the unsaturation in the fatty acid chains of palm oil for the preparation of alkyds. To increase the unsaturation in the palm oil, sulphuric acid (SA) and para-toluene sulphonic acid (PTSA) was used prior to alcoholysis for the dehydration process. The iodine number of the oil samples was checked for the unsaturation measurement by Wijs method. Alkyd resin was prepared using the dehydrated palm oil by following alcoholysis and esterification reaction. To improve the film properties 0.5wt.% multi-wall carbon nano tubes (MWCNTs) were used to manufacture polymeric film. The properties of the resins were characterized by various physico-chemical properties such as density, viscosity, iodine value, saponification value, etc. Structural elucidation was confirmed by Fourier transform of infrared spectroscopy and proton nuclear magnetic resonance; surfaces of the films were examined by field-emission scanning electron microscope. In addition, pencil hardness and chemical resistivity was also measured by using standard methods. The effect of enhancement of the unsaturation in the fatty acid chain found significant and motivational. The resin prepared with dehydrated palm oil showed improved properties regarding hardness and chemical resistivity testing. The incorporation of MWCNTs enhanced the thermal stability and hardness of the films as well.

Keywords: Alkyd resin, nano-coatings, dehydration, palm oil.

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Authors: F. Sebaa, A. Cheikh, M. Rahou

Abstract:

The study of the generated defects on manufactured parts shows the difficulty to maintain parts in their positions during the machining process and to estimate them during the pre-process plan. This work presents a contribution to the development of 3D models for the optimization of the manufacturing tolerances. An experimental study allows the measurement of the defects of part positioning for the determination of ε and the choice of an optimal setup of the part. An approach of 3D tolerance based on the small displacements method permits the determination of the manufacturing errors upstream. A developed tool, allows an automatic generation of the tolerance intervals along the three axes.

Keywords: Manufacturing tolerances, 3D modeling, optimization, errors.

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Authors: Tomoaki Hashimoto

Abstract:

In recent decades, probabilistic constrained optimal control problems have attracted much attention in many research fields. Although probabilistic constraints are generally intractable in an optimization problem, several tractable methods haven been proposed to handle probabilistic constraints. In most methods, probabilistic constraints are reduced to deterministic constraints that are tractable in an optimization problem. However, there is a gap between the transformed deterministic constraints in case of known and unknown probability distribution. This paper examines the conservativeness of probabilistic constrained optimization method for unknown probability distribution. The objective of this paper is to provide a quantitative assessment of the conservatism for tractable constraints in probabilistic constrained optimization with unknown probability distribution.

Keywords: Optimal control, stochastic systems, discrete-time systems, probabilistic constraints.

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Authors: H. Shayeghi, A. Safari, H. A. Shayanfar

Abstract:

In this paper, multiobjective design of multi-machine Power System Stabilizers (PSSs) using Particle Swarm Optimization (PSO) is presented. The stabilizers are tuned to simultaneously shift the lightly damped and undamped electro-mechanical modes of all machines to a prescribed zone in the s-plane. A multiobjective problem is formulated to optimize a composite set of objective functions comprising the damping factor, and the damping ratio of the lightly damped electromechanical modes. The PSSs parameters tuning problem is converted to an optimization problem which is solved by PSO with the eigenvalue-based multiobjective function. The proposed PSO based PSSs is tested on a multimachine power system under different operating conditions and disturbances through eigenvalue analysis and some performance indices to illustrate its robust performance.

Keywords: PSS Design, Particle Swarm Optimization, Dynamic Stability, Multiobjective Optimization.

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Authors: Bharat B. Gulyani, Anuj Jain, Shalendra Kumar

Abstract:

Customarily, the LMTD correction factor, FT, is used to screen alternative designs for a heat exchanger. Designs with unacceptably low FT values are discarded. In this paper, authors have proposed a more fundamental criterion, based on feasibility of a multipass exchanger as the only criteria, followed by economic optimization. This criterion, coupled with asymptotic energy targets, provide the complete optimization space in a heat exchanger network (HEN), where cost-optimization of HEN can be performed with only Heat Recovery Approach temperature (HRAT) and number-of-shells as variables.

Keywords: heat exchanger, heat exchanger networks, LMTD correction factor, shell targeting.

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Authors: K. Vidya, V.Rhymend Uthariaraj

Abstract:

Traffic Engineering (TE) is the process of controlling how traffic flows through a network in order to facilitate efficient and reliable network operations while simultaneously optimizing network resource utilization and traffic performance. TE improves the management of data traffic within a network and provides the better utilization of network resources. Many research works considers intra and inter Traffic Engineering separately. But in reality one influences the other. Hence the effective network performances of both inter and intra Autonomous Systems (AS) are not optimized properly. To achieve a better Joint Optimization of both Intra and Inter AS TE, we propose a joint Optimization technique by considering intra-AS features during inter – AS TE and vice versa. This work considers the important criterion say latency within an AS and between ASes. and proposes a Bi-Criteria Latency optimization model. Hence an overall network performance can be improved by considering this jointoptimization technique in terms of Latency.

Keywords: Inter-Domain Routing , Measurement, OptimizationPerformance, Traffic Engineering.

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Authors: G. Mesfin, M. Shuhaimi

Abstract:

This paper proposes a new optimization techniques for the optimization a gas processing plant uncertain feed and product flows. The problem is first formulated using a continuous linear deterministic approach. Subsequently, the single and joint chance constraint models for steady state process with timedependent uncertainties have been developed. The solution approach is based on converting the probabilistic problems into their equivalent deterministic form and solved at different confidence levels Case study for a real plant operation has been used to effectively implement the proposed model. The optimization results indicate that prior decision has to be made for in-operating plant under uncertain feed and product flows by satisfying all the constraints at 95% confidence level for single chance constrained and 85% confidence level for joint chance constrained optimizations cases.

Keywords: Butane, Feed composition, LPG, Productspecification, Propane.

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Authors: K. Chethana, A. S. Guru Prasad, S. N. Omkar, B. Vadiraj, S. Asokan

Abstract:

This paper describes an ab-initio design, development and calibration results of an Optical Sensor Ground Reaction Force Measurement Platform (OSGRFP) for gait and geriatric studies. The developed system employs an array of FBG sensors to measure the respective ground reaction forces from all three axes (X, Y and Z), which are perpendicular to each other. The novelty of this work is two folded. One is in its uniqueness to resolve the tri axial resultant forces during the stance in to the respective pure axis loads and the other is the applicability of inherently advantageous FBG sensors which are most suitable for biomechanical instrumentation. To validate the response of the FBG sensors installed in OSGRFP and to measure the cross sensitivity of the force applied in other directions, load sensors with indicators are used. Further in this work, relevant mathematical formulations are presented for extracting respective ground reaction forces from wavelength shifts/strain of FBG sensors on the OSGRFP. The result of this device has implications in understanding the foot function, identifying issues in gait cycle and measuring discrepancies between left and right foot. The device also provides a method to quantify and compare relative postural stability of different subjects under test, which has implications in post-surgical rehabilitation, geriatrics and optimizing training protocols for sports personnel.

Keywords: Balance, stability, Gait analysis, FBG applications, optical sensor ground reaction force platform.

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Authors: M. R. AlRashidi, M. F. AlHajri, M. E. El-Hawary

Abstract:

An enhanced particle swarm optimization algorithm (PSO) is presented in this work to solve the non-convex OPF problem that has both discrete and continuous optimization variables. The objective functions considered are the conventional quadratic function and the augmented quadratic function. The latter model presents non-differentiable and non-convex regions that challenge most gradient-based optimization algorithms. The optimization variables to be optimized are the generator real power outputs and voltage magnitudes, discrete transformer tap settings, and discrete reactive power injections due to capacitor banks. The set of equality constraints taken into account are the power flow equations while the inequality ones are the limits of the real and reactive power of the generators, voltage magnitude at each bus, transformer tap settings, and capacitor banks reactive power injections. The proposed algorithm combines PSO with Newton-Raphson algorithm to minimize the fuel cost function. The IEEE 30-bus system with six generating units is used to test the proposed algorithm. Several cases were investigated to test and validate the consistency of detecting optimal or near optimal solution for each objective. Results are compared to solutions obtained using sequential quadratic programming and Genetic Algorithms.

Keywords: Particle Swarm Optimization, Optimal Power Flow, Economic Dispatch.

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Authors: Kyoungwoo Park, Byeong Sam Kim, Juhee Lee, Kwang Soo Kim

Abstract:

The Prediction of aerodynamic characteristics and shape optimization of airfoil under the ground effect have been carried out by integration of computational fluid dynamics and the multiobjective Pareto-based genetic algorithm. The main flow characteristics around an airfoil of WIG craft are lift force, lift-to-drag ratio and static height stability (H.S). However, they show a strong trade-off phenomenon so that it is not easy to satisfy the design requirements simultaneously. This difficulty can be resolved by the optimal design. The above mentioned three characteristics are chosen as the objective functions and NACA0015 airfoil is considered as a baseline model in the present study. The profile of airfoil is constructed by Bezier curves with fourteen control points and these control points are adopted as the design variables. For multi-objective optimization problems, the optimal solutions are not unique but a set of non-dominated optima and they are called Pareto frontiers or Pareto sets. As the results of optimization, forty numbers of non- dominated Pareto optima can be obtained at thirty evolutions.

Keywords: Aerodynamics, Shape optimization, Airfoil on WIGcraft, Genetic algorithm, Computational fluid dynamics (CFD).

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Authors: B. Fahimnia, L.H.S. Luong, R. M. Marian

Abstract:

The Aggregate Production Plan (APP) is a schedule of the organization-s overall operations over a planning horizon to satisfy demand while minimizing costs. It is the baseline for any further planning and formulating the master production scheduling, resources, capacity and raw material planning. This paper presents a methodology to model the Aggregate Production Planning problem, which is combinatorial in nature, when optimized with Genetic Algorithms. This is done considering a multitude of constraints of contradictory nature and the optimization criterion – overall cost, made up of costs with production, work force, inventory, and subcontracting. A case study of substantial size, used to develop the model, is presented, along with the genetic operators.

Keywords: Aggregate Production Planning, Costs, and Optimization.

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Authors: C. Ardil

Abstract:

In this research, a multidimensional  compromise optimization method is proposed for multidimensional decision making analysis in the development ranking of the Gulf Cooperation Council Countries and Turkey. The proposed approach presents ranking solutions resulting from different multicriteria decision analyses, which yield different ranking orders for the same ranking problem, consisting of a set of alternatives in terms of numerous competing criteria when they are applied with the same numerical data. The multiobjective optimization decision making problem is considered in three sequential steps. In the first step, five different criteria related to the development ranking are gathered from the research field. In the second step, identified evaluation criteria are, objectively, weighted using standard deviation procedure. In the third step, a country selection problem is illustrated with a numerical example as an application of the proposed multidimensional  compromise optimization model. Finally, multidimensional  compromise optimization approach is applied to rank the Gulf Cooperation Council Countries and Turkey. 

Keywords: Standard deviation, performance evaluation, multicriteria decision making, multidimensional compromise optimization, vector normalization, multicriteria decision making, multicriteria analysis, multidimensional decision analysis.

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Authors: Vijaya K. Srivastava, Davide Spinello

Abstract:

This paper presents established 3ⁿ enumeration procedure for mixed integer optimization problems for solving multi-objective reliability and redundancy allocation problem subject to design constraints. The formulated problem is to find the optimum level of unit reliability and the number of units for each subsystem. A number of illustrative examples are provided and compared to indicate the application of the superiority of the proposed method.

Keywords: Integer programming, mixed integer programming, multi-objective optimization, reliability redundancy allocation.

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Authors: Ahmed Al-Ani

Abstract:

Feature selection is an important step in many pattern classification problems. It is applied to select a subset of features, from a much larger set, such that the selected subset is sufficient to perform the classification task. Due to its importance, the problem of feature selection has been investigated by many researchers. In this paper, a novel feature subset search procedure that utilizes the Ant Colony Optimization (ACO) is presented. The ACO is a metaheuristic inspired by the behavior of real ants in their search for the shortest paths to food sources. It looks for optimal solutions by considering both local heuristics and previous knowledge. When applied to two different classification problems, the proposed algorithm achieved very promising results.

Keywords: Ant Colony Optimization, ant systems, feature selection, pattern recognition.

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Authors: M. Farshbaf, M. R. Feizi-Derakhshi

Abstract:

Graph partitioning is a NP-hard problem with multiple conflicting objectives. The graph partitioning should minimize the inter-partition relationship while maximizing the intra-partition relationship. Furthermore, the partition load should be evenly distributed over the respective partitions. Therefore this is a multiobjective optimization problem (MOO). One of the approaches to MOO is Pareto optimization which has been used in this paper. The proposed methods of this paper used to improve the performance are injecting best solutions of previous runs into the first generation of next runs and also storing the non-dominated set of previous generations to combine with later generation's non-dominated set. These improvements prevent the GA from getting stuck in the local optima and increase the probability of finding more optimal solutions. Finally, a simulation research is carried out to investigate the effectiveness of the proposed algorithm. The simulation results confirm the effectiveness of the proposed method.

Keywords: Graph partitioning, Genetic algorithm, Multiobjective optimization, Pareto front.

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Authors: Gaohuizi Guo, Ning Zhang

Abstract:

Firefly algorithm (FA) and Sine Cosine algorithm (SCA) are two very popular and advanced metaheuristic algorithms. However, these algorithms applied to multi-objective optimization problems have some shortcomings, respectively, such as premature convergence and limited exploration capability. Combining the privileges of FA and SCA while avoiding their deficiencies may improve the accuracy and efficiency of the algorithm. This paper proposes a hybridization of FA and SCA algorithms, named multi-objective firefly-sine cosine algorithm (MFA-SCA), to develop a more efficient meta-heuristic algorithm than FA and SCA.

Keywords: Firefly algorithm, hybrid algorithm, multi-objective optimization, Sine Cosine algorithm.

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Authors: Daniel Kostrzewa, Henryk Josiński

Abstract:

The expanded Invasive Weed Optimization algorithm (exIWO) is an optimization metaheuristic modelled on the original IWO version created by the researchers from the University of Tehran. The authors of the present paper have extended the exIWO algorithm introducing a set of both deterministic and non-deterministic strategies of individuals’ selection. The goal of the project was to evaluate the exIWO by testing its usefulness for solving some test instances of the traveling salesman problem (TSP) taken from the TSPLIB collection which allows comparing the experimental results with optimal values.

Keywords: Expanded Invasive Weed Optimization algorithm (exIWO), Traveling Salesman Problem (TSP), heuristic approach, inversion operator.

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Authors: Y. K. Lin, H. T. Hsieh, F. Y. Hsieh

Abstract:

Total weighted tardiness is a measure of customer satisfaction. Minimizing it represents satisfying the general requirement of on-time delivery. In this research, we consider an ant colony optimization (ACO) algorithm to solve the problem of scheduling unrelated parallel machines to minimize total weighted tardiness. The problem is NP-hard in the strong sense. Computational results show that the proposed ACO algorithm is giving promising results compared to other existing algorithms.

Keywords: ant colony optimization, total weighted tardiness, unrelated parallel machines.

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Authors: Broderick Crawford, Ricardo Soto, Natalia Berrios, Eduardo Olguin

Abstract:

In this paper, we present a binary cat swarm optimization for solving the Set covering problem. The set covering problem is a well-known NP-hard problem with many practical applications, including those involving scheduling, production planning and location problems. Binary cat swarm optimization is a recent swarm metaheuristic technique based on the behavior of discrete cats. Domestic cats show the ability to hunt and are curious about moving objects. The cats have two modes of behavior: seeking mode and tracing mode. We illustrate this approach with 65 instances of the problem from the OR-Library. Moreover, we solve this problem with 40 new binarization techniques and we select the technical with the best results obtained. Finally, we make a comparison between results obtained in previous studies and the new binarization technique, that is, with roulette wheel as transfer function and V3 as discretization technique.

Keywords: Binary cat swarm optimization, set covering problem, metaheuristic, binarization methods.

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

Abstract:

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

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

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

Abstract:

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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