Search results for: chemical reaction optimization

Authors: Nidhi Sharotri, Dhiraj Sud

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Water pollution by pesticides constitutes a serious ecological problem due to their potential toxicity and bioaccumulation. The widespread use of pesticides in industry and agriculture along with their resistance to natural decomposition, biodegradation, chemical and photochemical degradation under typical environmental conditions has resulted in the emergence of these chemicals and their transformed products in natural water. Among AOP’s, heterogeneous photocatalysis using TiO2 as photocatalyst appears as the most emerging destructive technology for mineralization of the pollutant in aquatic streams. Among the various semiconductors (TiO2, ZnO, CdS, FeTiO3, MnTiO3, SrTiO2 and SnO2), TiO2 has proven to be the most efficient photocatalyst for environmental applications due to its biological and chemical inertness, high photo reactivity, non-toxicity, and photo stability. Semiconductor photocatalysts are characterized by an electronic band structure in which valence band and conduction band are separated by a band gap, i.e. a region of forbidden energy. Semiconductor based photocatalysts produces e-/h+ pairs which have been employed for degradation of organic pollutants. The present paper focuses on modification of TiO2 photocatalyst in order to shift its absorption edge towards longer wavelength to make it active under natural light. Semiconductor TiO2 photocatalysts was prepared by doping with anion (N), cation (Mn) and double doped (Mn, N) using greener approach. Titanium isopropoxide is used as titania precursor and ethanedithiol, hydroxyl amine hydrochloride, manganous chloride as sulphur, nitrogen and manganese precursors respectively. Synthesized doped TiO2 nanomaterials are characterized for surface morphology (SEM, TEM), crystallinity (XRD) and optical properties (absorption spectra and band gap). EPR data confirms the substitutional incorporation of Mn2+ in TiO2 lattice. The doping influences the phase transformation of rutile and anatase phase crystal and thereby the absorption spectrum changes were observed. The effect of variation of reaction parameters such as solvent, reaction time and calcination temperature on the yield, surface morphology and optical properties was also investigated. The TEM studies show the particle size of nanomaterials varies from 10-50 nm. The calculated band gap of nanomaterials varies from 2.30-2.60 eV. The photocatalytic degradation of organic pollutant organophosphate pesticide (Quinalphos) has been investigated by studying the changes in UV absorption spectrum and the promising results were obtained under visible light. The complete mineralization of quinalphos has occurred as no intermediates were recorded after 8 hrs of degradation confirmed from the HPLC studies.

Keywords: quinalphos, doped-TiO2, mineralization, EPR

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Authors: Mansour H. Alkmim, Adriano T. Fabro, Marcus V. G. De Morais

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In this paper, a global direct search optimization algorithm to reduce vibration of a tuned liquid column damper (TLCD), a class of passive structural control device, is presented. The objective is to find optimized parameters for the TLCD under stochastic load from different wind power spectral density. A verification is made considering the analytical solution of an undamped primary system under white noise excitation. Finally, a numerical example considering a simplified wind turbine model is given to illustrate the efficacy of the TLCD. Results from the random vibration analysis are shown for four types of random excitation wind model where the response PSDs obtained showed good vibration attenuation.

Keywords: generalized pattern search, parameter optimization, random vibration analysis, vibration suppression

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Authors: Mohd Moiz Khan, S. M. Mahajani, G. N. Jadhav

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Waste foundry sand (total clay content 15%) contains toxic heavy metals and particulate matter which make dumping of waste sand an environmental and health hazard. Disposal of waste foundry sand (WFS) remains one of the substantial challenges faced by Indian foundries nowadays. To cope up with this issue, the chemical method was used to reclaim WFS. A stirrer tank reactor was used for chemical reclamation. Experiments were performed to reduce the total clay content from 15% to as low as 0.9% in chemical reclamation. This method, although found to be effective for WFS reclamation, it may face a challenge due to the possibly high operating cost. Reclaimed sand was found to be satisfactory in terms of sand qualities such as total clay (0.9%), active clay (0.3%), acid demand value (ADV) (2.6%), loss on igniting (LOI) (3 %), grain fineness number (GFN) (56), and compressive strength (60 kPa). The experimental data generated on chemical reactor under different conditions is further used to optimize the design and operating parameters (rotation speed, sand to acidic solution ratio, acid concentration, temperature and time) for the best performance. The use of reclaimed sand within the foundry would improve the economics and efficiency of the process and reduce environmental concerns.

Keywords: chemical reclamation, clay content, environmental concerns, recycle, waste foundry sand

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Authors: Ketaki D. Belsare, Nicholas F. Polizzi, Lior Shtayer, William F. DeGrado

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Nature utilizes metalloproteins to perform chemical transformations with activities and selectivities that have long been the inspiration for design principles in synthetic and biological systems. The chemical reactivities of metalloproteins are directly linked to local environment effects produced by the protein matrix around the metal cofactor. A complete understanding of how the protein matrix provides these interactions would allow for the design of functional metalloproteins. The de novo computational design of proteins have been successfully used in design of active sites that bind metals like di-iron, zinc, copper containing cofactors; however, precisely designing active sites that can bind small molecule ligands (e.g., substrates) along with metal cofactors is still a challenge in the field. The de novo computational design of a functional metalloprotein that contains a purposefully designed substrate binding site would allow for precise control of chemical function and reactivity. Our research strategy seeks to elucidate the design features necessary to bind the cofactor protoporphyrin IX (hemin) in close proximity to a substrate binding pocket in a four helix bundle. First- and second-shell interactions are computationally designed to control orientation, electronic structure, and reaction pathway of the cofactor and substrate. The design began with a parameterized helical backbone that positioned a single histidine residue (as an axial ligand) to receive a second-shell H-bond from a Threonine on the neighboring helix. The metallo-cofactor, hemin was then manually placed in the binding site. A structural feature, pi-bulge was introduced to give substrate access to the protoporphyrin IX. These de novo metalloproteins are currently being tested for their activity towards hydroxylation and epoxidation. The de novo designed protein shows hydroxylation of aniline to 4-aminophenol. This study will help provide structural information of utmost importance in understanding de novo computational design variables impacting the functional activities of a protein.

Keywords: metalloproteins, protein design, de novo protein, biocatalysis

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Authors: Michael R. Phangtriastu, Herriyandi Herriyandi, Diaz D. Santika

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This paper presents a comparison of the implementation of metaheuristic algorithms to train the antecedent parameters and consequence parameters in the adaptive network-based fuzzy inference system (ANFIS). The algorithms compared are genetic algorithm (GA), particle swarm optimization (PSO), and artificial bee colony (ABC). The objective of this paper is to benchmark well-known metaheuristic algorithms. The algorithms are applied to several data set with different nature. The combinations of the algorithms' parameters are tested. In all algorithms, a different number of populations are tested. In PSO, combinations of velocity are tested. In ABC, a different number of limit abandonment are tested. Experiments find out that ABC is more reliable than other algorithms, ABC manages to get better mean square error (MSE) than other algorithms in all data set.

Keywords: ANFIS, artificial bee colony, genetic algorithm, metaheuristic algorithm, particle swarm optimization

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Authors: Maryam Shayan

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Programming frameworks have been utilized as a part of chemical industry process safety operation and configuration to enhance its effectiveness. This paper gives a brief survey and investigation of the best in class and effects of programming frameworks in process security. A study was completed by talking staff accountable for procedure wellbeing practices in the Iranian chemical process industry and diving into writing of innovation for procedure security. This article investigates the useful and operational attributes of programming frameworks for security and endeavors to sort the product as indicated by its level of effect in the administration chain of importance. The study adds to better comprehension of the parts of Information Communication Technology in procedure security, the future patterns and conceivable gaps for innovative work.

Keywords: programming frameworks, chemical industry process, process security, administration chain, information communication technology

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Authors: Idit Avrahami, Alex Schechter, Lev Zakhvatkin

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This research focuses on developing a compact and light Hydrogen Generator (HG), coupled with fuel cells (FC) to provide a High-Energy-Density Power-Pack (HEDPP) solution, which is 10 times Li-Ion batteries. The HEDPP is designed for portable & off-grid power applications such as Drones, UAVs, stationary off-grid power sources, unmanned marine vehicles, and more. Hydrogen gas provided by this device is delivered in the safest way as a chemical powder at room temperature and ambient pressure is activated only when the power is on. Hydrogen generation is based on a stabilized chemical reaction of Sodium Borohydride (SBH) and water. The proposed solution enables a ‘No Storage’ Hydrogen-based Power Pack. Hydrogen is produced and consumed on-the-spot, during operation; therefore, there’s no need for high-pressure hydrogen tanks, which are large, heavy, and unsafe. In addition to its high energy density, ease of use, and safety, the presented power pack has a significant advantage of versatility and deployment in numerous applications and scales. This patented HG was demonstrated using several prototypes in our lab and was proved to be feasible and highly efficient for several applications. For example, in applications where water is available (such as marine vehicles, water and sewage infrastructure, and stationary applications), the Energy Density of the suggested power pack may reach 2700-3000 Wh/kg, which is again more than 10 times higher than conventional lithium-ion batteries. In other applications (e.g., UAV or small vehicles) the energy density may exceed 1000 Wh/kg.

Keywords: hydrogen energy, sodium borohydride, fixed-wing UAV, energy pack

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Authors: Pornsiri Kaewpradit, Chalisa Pourneaw

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Temperature control improvement of a membrane reactor with exothermic and reversible esterification reaction is studied in this work. It is well known that a batch membrane reactor requires different control strategies from a continuous one due to the fact that it is operated dynamically. Due to the effect of the operating temperature, the suitable control scheme has to be designed based reliable predictive model to achieve a desired objective. In the study, the optimization framework has been preliminary formulated in order to determine an optimal temperature trajectory for maximizing a desired product. In model predictive control scheme, a set of predictive models have been initially developed corresponding to the possible operating points of the system. The multiple predictive control moves have been further calculated on-line using the developed models corresponding to current operating point. It is obviously seen in the simulation results that the temperature control has been improved compared to the performance obtained by the conventional predictive controller. Further robustness tests have also been investigated in this study.

Keywords: model predictive control, batch reactor, temperature control, membrane reactor

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Authors: S. Y. Park, S. M. Lee, S. H. Lee, K. M. Lim

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In this research analyzed the effects that phase formation reaction change in the grey cast iron makes on characteristics of microstructures, liquidity, and mechanical properties through cooling curve when adding rare earth elements (R.E). This research was analyzed with comparison between the case of not adding the rare earth elements (R.E) into the grey cast iron with the standard composition (as 3.3%C-2.1%Si-0.7%Mn-0.1%S) and the case of adding 0.3% rare earth elements (R.E). The thermal analysis parameters have been drawn through eutectic temperature theoretically calculated, recalescence temperature, and undercooling temperature measured from start of eutectic reaction to end of solidification in the cooling curve obtained by thermal analysis to analyze formation behavior of graphite, and the effects by addition of rare earth elements on this have been reviewed. When adding rare earth elements (R.E), the cause of liquidity slowdown was analyzed trough the solidification starting temperature and change of solidification ending temperature. The strength and hardness have been measured to evaluate the mechanical properties, and the sound tensile strength has been evaluated through quality coefficient after measuring relative hardness and normality degree of tensile strength by calculating theoretical tensile strength and theoretical hardness. The change of Pearlite Inter-lamellar Spacing of matrix microstructure and eutectic cell count of macrostructure was measured to analyze the effects of the rare earth elements on the sound tensile strength. The change of eutectic cell count has been clarified through activation of the eutectic reaction, and the cause of pearlite inter-lamellar spacing clarified through eutectoid reaction temperature.

Keywords: cooling curve, element, grey cast iron, thermal analysis, rare earth element

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Authors: A. Ramalho, L. Romeiro, R. Ventura, A. Suleman

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A real-time path planning framework for Unmanned Air Vehicles, and in particular multi-rotors is proposed. The framework is designed to provide feasible trajectories from the current UAV position to a goal state, taking into account constraints such as obstacle avoidance, problem kinematics, and vehicle limitations such as maximum speed and maximum acceleration. The framework computes feasible paths online, allowing to avoid new, unknown, dynamic obstacles without fully re-computing the trajectory. These features are achieved using an iterative process in which the robot computes and optimizes the trajectory while performing the mission objectives. A first trajectory is computed using a modified Rapidly-Exploring Random Tree (RRT) algorithm, that provides trajectories that respect a maximum curvature constraint. The trajectory optimization is accomplished using the Interior Point Optimizer (IPOPT) as a solver. The framework has proven to be able to compute a trajectory and optimize to a locally optimal with computational efficiency making it feasible for real-time operations.

Keywords: interior point optimization, multi-rotors, online path planning, rapidly exploring random trees, trajectory optimization

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Authors: Lu Zhao, Nadir Farhi, Zoi Christoforou, Nadia Haddadou

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The safety test of deploying intelligent connected vehicles (ICVs) on the road network is a critical challenge. Road traffic network simulation can be used to test the functionality of ICVs, which is not only time-saving and less energy-consuming but also can create scenarios with car collisions. However, the relationship between different human driver behaviors and the car-collision occurrences has been not understood clearly; meanwhile, the procedure of car-collisions generation in the traffic numerical simulators is not fully integrated. In this paper, we propose an approach to identify specific driver profiles from real driven data; then, we replicate them in numerical traffic simulations with the purpose of generating inter-vehicular collisions. We proposed three profiles: (i) 'aggressive': short time-headway, (ii) 'inattentive': long reaction time, and (iii) 'normal' with intermediate values of reaction time and time-headway. These three driver profiles are extracted from the NGSIM dataset and simulated using the intelligent driver model (IDM), with an extension of reaction time. At last, the generation of inter-vehicular collisions is performed by varying the percentages of different profiles.

Keywords: vehicular collisions, human driving behavior, traffic modeling, car-following models, microscopic traffic simulation

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Authors: Monu Verma, Hyunook Kim

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Heavy metals and organic dyes are the major sources of water pollution. Herein, a trifunctional β−cyclodextrin−ethylenediaminetetraacetic acid−chitosan (β−CD−EDTA−CS) polymer was synthesized using an easy and simple chemical route by the reaction of activated β−CD with CS through EDTA as a cross-linker (amidation reaction) for the removal of inorganic and organic pollutants from aqueous solution under different parameters such as pH, time effect, initial concentration, reusability, etc. The synthesized adsorbent was characterized using powder X-ray diffraction, Fourier transform infrared spectroscopy, field scanning electron microscopy, energy dispersive spectroscopy, Brunauer-Emmett-Teller (BET), thermogravimetric analyzer techniques to investigate their structural, functional, morphological, elemental compositions, surface area, and thermal properties, respectively. Two types of heavy metals, i.e., mercury (Hg²⁺) and cadmium (Cd²⁺), and three organic dyes, i.e., methylene blue (MB), crystal violet (CV), and safranin O (SO), were chosen as inorganic and organic pollutants, respectively, to study the adsorption capacity of β-CD-EDTA-CS in aqueous solution. The β-CD-EDTA-CS shows a monolayer adsorption capacity of 346.30 ± 14.0 and 202.90 ± 13.90 mg g−¹ for Hg²⁺ and Cd²⁺, respectively, and a heterogeneous adsorption capacity of 107.20 ± 5.70, 77.40 ± 5.30 and 55.30 ± 3.60 mg g−¹ for MB, CV and SO, respectively. Kinetics results followed pseudo-second order (PSO) kinetics behavior for both metal ions and dyes, and higher rate constants values (0.00161–0.00368 g mg−¹ min−¹) for dyes confirmed the cavitation of organic dyes (physisorption). In addition, we have also demonstrated the performance of β-CD-EDTA-CS for the four heavy metals, Hg²⁺, Cd²⁺, Ni²⁺, and Cu²⁺, and three dyes MB, CV, and SO in secondary treated wastewater. The findings of this study indicate that β-CD-EDTA-CS is simple and easy to synthesize and can be used in wastewater treatment.

Keywords: adsorption isotherms, adsorption mechanism, amino-β-cyclodextrin, heavy metal ions, organic dyes

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Authors: Darwin Castillo Huamaní, Francisco A. M. Gomes

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The aim of the multi-material topology optimization (MTO) is to obtain the optimal topology of structures composed by many materials, according to a given set of constraints and cost criteria. In this work, we seek the optimal distribution of materials in a domain, such that the flexibility of the structure is minimized, under certain boundary conditions and the intervention of external forces. In the case we have only one material, each point of the discretized domain is represented by two values from a function, where the value of the function is 1 if the element belongs to the structure or 0 if the element is empty. A common way to avoid the high computational cost of solving integer variable optimization problems is to adopt the Solid Isotropic Material with Penalization (SIMP) method. This method relies on the continuous interpolation function, power function, where the base variable represents a pseudo density at each point of domain. For proper exponent values, the SIMP method reduces intermediate densities, since values other than 0 or 1 usually does not have a physical meaning for the problem. Several extension of the SIMP method were proposed for the multi-material case. The one that we explore here is the ordered SIMP method, that has the advantage of not being based on the addition of variables to represent material selection, so the computational cost is independent of the number of materials considered. Although the number of variables is not increased by this algorithm, the optimization subproblems that are generated at each iteration cannot be solved by methods that rely on second derivatives, due to the cost of calculating the second derivatives. To overcome this, we apply a globally convergent version of the sequential linear programming method, which solves a linear approximation sequence of optimization problems.

Keywords: globally convergence, multi-material design ordered simp, sequential linear programming, topology optimization

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Authors: Avishek Chanda, Nam Kyeun Kim, Debes Bhattacharyya

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The use of renewable substitutes in various semi-structural and structural applications has experienced an increase since the last few decades. Sandwich panels have been used for many decades, although research on understanding the effects of the core structures on the panels’ fire-reaction properties is limited. The current work investigates the fire-performance of a corrugated sandwich panel made from renewable, biodegradable, and sustainable material, plywood. The bench-scale fire testing apparatus, cone-calorimeter, was employed to evaluate the required fire-reaction properties of the sandwich core in a panel configuration, with three corrugated layers glued together with face-sheets under a heat irradiance of 50 kW/m². The study helped in documenting a unique heat release trend associated with the fire performance of the 3-layered corrugated sandwich panels and in understanding the structural stability of the samples in the event of a fire. Furthermore, the total peak heat release rate was observed to be around 421 kW/m², which is significantly low compared to many polymeric materials in the literature. The total smoke production was also perceived to be very limited compared to other structural materials, and the total heat release was also nominal. The time to ignition of 21.7 s further outlined the advantages of using the plywood component since polymeric composites, even with flame-retardant additives, tend to ignite faster. Overall, the corrugated plywood sandwich panels had significant fire-reaction properties and could have important structural applications. The possible use of structural panels made from bio-degradable material opens a new avenue for the use of similar structures in sandwich panel preparation.

Keywords: corrugated sandwich panel, fire-reaction properties, plywood, renewable material

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Authors: Paulos Meles Yihdego

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To address the environmental impact of the cement industry and road building waste, the use of chemical stabilizers in conjunction with recycled asphalt and cement components was investigated. The silica-based chemical stabilizers and their potential effects on the base layer stabilized by cement are discussed in this paper. Strength, moisture compaction interaction, and microstructural characteristics are all examined. According to the outcome, using this stabilizer has improved the mechanical properties. The inclusion of chemical stabilizers in the combination, which is responsible for the mixture's improved strength, raised the intensity of the C-S-H (Calcium Silicate Hydrate) gel, according to a microstructural study. The design was demonstrated to be durable by the little ettringites found in the later phases. The application of this stabilizer ensures a strong, eco-friendly, durable base layer.

Keywords: ettringites, microstructure analysis, durability properties, cement stabilized base

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Authors: Erna Astuti, Supranto, Rochmadi, Agus Prasetya

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Biodiesel production from vegetable oil will produce glycerol as by-product about 10% of the biodiesel production. The amount of glycerol that was produced needed alternative way to handling immediately so as to not become the waste that polluted environment. One of the solutions was to process glycerol to polyglycidyl nitrate (PGN). PGN is synthesized from glycerol by three-step reactions i.e. nitration of glycerol, cyclization of 13- dinitroglycerine and polymerization of glycosyl nitrate. Optimum condition of nitration of glycerol with nitric acid has not been known. Thermodynamic feasibility should be done before run experiments in the laboratory. The aim of this study was to determine the parameters those affect nitration of glycerol and nitric acid and chose the operation condition. Many parameters were simulated to verify its possibility to experiment under conditions which would get the highest conversion of 1, 3-dinitroglycerine and which was the ideal condition to get it. The parameters that need to be studied to obtain the highest conversion of 1, 3-dinitroglycerine were mol ratio of nitric acid/glycerol, reaction temperature, mol ratio of glycerol/dichloromethane and pressure. The highest conversion was obtained in the range of mol ratio of nitric acid /glycerol between 2/1 – 5/1, reaction temperature of 5-25o C and pressure of 1 atm. The parameters that need to be studied further to obtain the highest conversion of 1.3 DNG are mol ratio of nitric acid/glycerol and reaction temperature.

Keywords: Nitration, glycerol, thermodynamic, optimum condition

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Authors: Rachael Olatoun Okunuga

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Developing young people’s employability is a key policy issue for ensuring their successful transition to the labour market and their access to career oriented employment. The youths of today irrespective of their gender need to acquire the knowledge, skills and attitudes that will enable them to create or find jobs as well as cope with unpredictable labour market changes throughout their working lives. In a study carried out to determine the influence of gender on job-competencies requirements of chemical-based industries and undergraduate-competencies acquisition by chemists working in the industries, all chemistry graduates working in twenty (20) chemical-based industries that were randomly selected from six sectors of chemical-based industries in Lagos and Ogun States of Nigeria were administered with Job-competencies required and undergraduate-competencies acquired assessment questionnaire. The data were analysed using means and independent sample t-test. The findings revealed that the population of female chemists working in chemical-based industries is low compared with the number of male chemists; furthermore, job-competencies requirements are found not to be gender sensitive while there is no significant difference in undergraduate-competencies acquisition of male and female chemists. This suggests that females should be given the same opportunity of employment in chemical-based industries as their male counterparts. The study also revealed the level of acquisition of undergraduate competencies as related to the needs of chemical-based industries.

Keywords: knowledge, skill, attitude, acquired, required, employability

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Authors: Aminu Musa Muhammad, Muhammad Kabiru Abubakar

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Monthly changes in Phytoplankton periodicity, nutrient levels, temperature, pH, suspended solids, dissolved solids, conductivity, dissolved oxygen and biochemical oxygen demand of Kazaure Dam, Jigawa State, Nigeria were studied for a period of six months (July-Dec.-2011). Physico-chemical result showed that temperature and pH ranged between17-25˚C and 5.5-7.5, while dissolved solids and suspended solids ranged between 95-155 mg/L and 0.13-112 mg/L respectively. Dissolved oxygen (DO), Biochemical oxygen demand (BOD), Chemical oxygen demand (COD), conductivity, nitrate, phosphate and sulphate ion concentrations were within the ranges of 3.5-3.6 mg/L, 4.8-7.2 mg/L, 8.10-12.30 mg/L, 21-58µΩ/cm, 0.2-8.1 mg/L, 2.4-18.1 mg/L, and 1.22-15.60 mg/L respectively. A total of 4514 Org/L phytoplankton were recorded, of which four classes of algae were identified. These comprised of Chlorophyta (44.1%), Cyanophyta(30.62%), Bacillariophyta(3.2%), Euglenophyta (32.1%). Descriptive statistics of the result showed that phytoplankton count varied with variation of physico-chemical parameters at 5% level during the study period. The abundance and distribution of the algae varied with the variation in the physico-chemical parameters. Pearson correlation showed that temperature and nutrients were significantly correlated with phytoplankton, while DO, sulphate and pH were insignificantly correlated, while there was no significant correlation with COD and phytoplankton.

Keywords: correlation, phytoplankton, physico chemical, kazaure dam

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Authors: Karima Megdouli, Bourhan tachtouch

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Ejector refrigeration cycles offer an alternative to conventional systems for producing cold from low-temperature heat. In this article, a thermodynamic model is presented. This model has the advantage of simplifying the calculation algorithm and describes the complex double-throttling mechanism that occurs in the ejector. The model assumption and calculation algorithm are presented first. The impact of each efficiency is evaluated. Validation is performed on several data sets. The ejector model is then used to simulate a RES (refrigeration ejector system), to validate its robustness and suitability for use in predicting thermodynamic cycle performance. A Taguchi and ANOVA optimization is carried out on a RES. TOPSIS analysis was applied to decide the optimum refrigerants with cost, safety, environmental and enviro economic concerns along with thermophysical properties.

Keywords: ejector, velocity distribution, shock circle, Taguchi and ANOVA optimization, TOPSIS analysis

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Authors: Sahar Ehsani, David James, Vernon Hodge

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In this experimental study, total selenium in solution was measured with Graphite Furnace Atomic Absorption Spectroscopy, GFAAS, then chemical reactions with sodium borohydride were used to reduce selenite to hydrogen selenide. Hydrogen selenide was then stripped from the solution by purging the solution with nitrogen gas. Since the two main speciations in oxic waters are usually selenite, Se(IV) and selenate, Se(VI), it was assumed that after Se(IV) is removed, the remaining total selenium was Se(VI). Total selenium measured after stripping gave Se(VI) concentration, and the difference of total selenium measured before and after stripping gave Se(IV) concentration. An additional step of reducing Se(VI) to Se(IV) was performed by boiling the stripped solution under acidic conditions, then removing Se(IV) by a chemical reaction with sodium borohydride. This additional procedure of removing Se(VI) from the solution is useful in rare cases where the water sample is reducing and contains selenide speciation. In this study, once Se(IV) and Se(VI) were both removed from the water sample, the remaining total selenium concentration was zero. The method was tested to determine Se(IV) and Se(VI) in both purified water and synthetic irrigation water spiked with Se(IV) and Se(VI). Average recovery of spiked samples of diluted synthetic irrigation water was 99% for Se(IV) and 97% for Se(VI). Detection limits of the method were 0.11 µg L⁻¹ and 0.32 µg L⁻¹ for Se(IV) and Se(VI), respectively.

Keywords: Analytical Method, Graphite Furnace Atomic Absorption Spectroscopy, Selenate, Selenite, Selenium Speciations

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Authors: Moustafa Osman Mohammed

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Integration sustainability outcomes give attention to construction ecology in the design review of urban environments to comply with Earth’s System that is composed of integral parts of the (i.e., physical, chemical and biological components). Naturally, exchange patterns of industrial ecology have consistent and periodic cycles to preserve energy flows and materials in Earth’s System. When engineering topology is affecting internal and external processes in system networks, it postulated the valence of the first-level spatial outcome (i.e., project compatibility success). These instrumentalities are dependent on relating the second-level outcome (i.e., participant security satisfaction). Construction ecology approach feedback energy from resources flows between biotic and abiotic in the entire Earth’s ecosystems. These spatial outcomes are providing an innovation, as entails a wide range of interactions to state, regulate and feedback “topology” to flow as “interdisciplinary equilibrium” of ecosystems. The interrelation dynamics of ecosystems are performing a process in a certain location within an appropriate time for characterizing their unique structure in “equilibrium patterns”, such as biosphere and collecting a composite structure of many distributed feedback flows. These interdisciplinary systems regulate their dynamics within complex structures. These dynamic mechanisms of the ecosystem regulate physical and chemical properties to enable a gradual and prolonged incremental pattern to develop a stable structure. The engineering topology of construction ecology for integration sustainability outcomes offers an interesting tool for ecologists and engineers in the simulation paradigm as an initial form of development structure within compatible computer software. This approach argues from ecology, resource savings, static load design, financial other pragmatic reasons, while an artistic/architectural perspective, these are not decisive. The paper described an attempt to unify analytic and analogical spatial modeling in developing urban environments as a relational setting, using optimization software and applied as an example of integrated industrial ecology where the construction process is based on a topology optimization approach.

Keywords: construction ecology, industrial ecology, urban topology, environmental planning

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Authors: Mostafa M. Abo Elsoud, Heba I. Elkhouly, Nagwa M. Sidkey

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Production of rhamnolipids by Pseudomonas aeruginosa has attracted a growing interest during the last few decades due to its high productivity compared with other microorganisms. In the current work, rhamnolipids production by P. aeruginosa PAO1 was statistically modeled using Taguchi orthogonal array, numerically optimized and validated. Prickly Pear Peel (Opuntia ficus-indica) has been used as a carbon source for production of rhamnolipid. Finally, the optimum conditions for rhamnolipid production were applied in 5L working volume bioreactors at different aerations, agitation and controlled pH for maximum rhamnolipid production. In addition, kinetic studies of rhamnolipids production have been reported. At the end of the batch bioreactor optimization process, rhamnolipids production by P. aeruginosa PAO1 has reached the worldwide levels and can be applied for its industrial production.

Keywords: rhamnolipids, pseudomonas aeruginosa, statistical optimization, tagushi, opuntia ficus-indica

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Authors: Sonam Chorol, Sharvan Kumar, Pritam Mukhopadhyay

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In biology, supramolecular systems require the use of chemical fuels to stay in sustained nonequilibrium steady states termed dissipative self-assembly in contrast to synthetic self-assembly. Biomimicking these natural dynamic systems, some studies have demonstrated artificial self-assembly under nonequilibrium utilizing various forms of energies (fuel) such as chemical, redox, and pH. Naphthalene diimides (NDIs) are well-known organic molecules in supramolecular architectures with high electron affinity and have applications in controlled electron transfer (ET) reactions, etc. Herein, we report the endergonic ET from tetraphenylborate to highly electron-deficient phosphonium NDI²+ dication to generate NDI•+ radical. The formation of radicals was confirmed by UV-Vis-NIR absorption spectroscopy. Electron-donor and electron-acceptor energy levels were calculated from experimental electrochemistry and theoretical DFT analysis. The HOMO of the electron donor locates below the LUMO of the electro-acceptor. This indicates that electron transfer is endergonic (ΔE°ET = negative). The endergonic ET from NaBPh₄ to NDI²+ dication was achieved thermodynamically by the formation of coupled biphenyl product confirmed by GC-MS analysis. NDI molecule bearing octyl phosphonium at the core and H-bond forming imide moieties at the axial position forms a gel. The rheological properties of purified radical ion NDI⦁+ gels were evaluated. The atomic force microscopy studies reveal the formation of large branching-type networks with a maximum height of 70-80 nm. The endergonic ET from NaBPh₄ to NDI²+ dication was used to design the assembly and disassembly redox reaction cycle using reducing (NaBPh₄) and oxidizing agents (Br₂) as chemical fuels. A part of NaBPh₄ is used to drive assembly, while a fraction of the NaBPh₄ is dissipated by forming a useful product. The system goes back to the disassembled NDI²+ dication state with the addition of Br₂. We think bioinspired dissipative self-assembly is the best approach to developing future lifelike materials with autonomous behavior.

Keywords: Ionic-gel, redox-cycle, self-assembly, useful product

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Authors: Tsegay Giday Woldu, Haibin Zhang, Xin Zhang, Yemane Hailu Fissuh

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It is well known that nonlinear conjugate gradient method is one of the widely used first order methods to solve large scale unconstrained smooth optimization problems. Because of the low memory requirement, attractive theoretical features, practical computational efficiency and nice convergence properties, nonlinear conjugate gradient methods have a special role for solving large scale unconstrained optimization problems. Large scale optimization problems are with important applications in practical and scientific world. However, nonlinear conjugate gradient methods have restricted information about the curvature of the objective function and they are likely less efficient and robust compared to some second order algorithms. To overcome these drawbacks, the new modified nonlinear conjugate gradient method is presented. The noticeable features of our work are that the new search direction possesses the sufficient descent property independent of any line search and it belongs to a trust region. Under mild assumptions and standard Wolfe line search technique, the global convergence property of the proposed algorithm is established. Furthermore, to test the practical computational performance of our new algorithm, numerical experiments are provided and implemented on the set of some large dimensional unconstrained problems. The numerical results show that the proposed algorithm is an efficient and robust compared with other similar algorithms.

Keywords: conjugate gradient method, global convergence, large scale optimization, sufficient descent property

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Authors: Asibor Godwin, Adeniyi Funsho

Abstract:

This study was carried out to investigate the impact of biological treated effluent on the physico-chemical properties of receiving waterbodies and also to establish its suitability for other purposes. It focused on the changes of some physic-chemical variables as one move away from the point of discharge downstream of the waterbodies. Water samples were collected from 14 sampling stations made up of the untreated effluent, treated effluent and receiving streams (before and after treated effluent discharge) over a period of 6 months spanning the dry and rainy seasons. Analyses were carried out on the following: temperature, turbidity, pH, conductivity, major anions and cation, dissolved oxygen, percentage oxygen Saturation, biological oxygen demand (BOD), solids (total solids, suspended solids and dissolved solids), nitrates, phosphates, organic matter and flow discharge using standard analytical methods. The relationships between investigated sites with regards to their physico-chemical properties were analyzed using student-t statistics. Also changes in the treated effluent receiving streams after treated effluent outfall was discussed fully. The physico-chemical water quality of the receiving water bodies meets most of the general water requirements for both domestic and industrial uses. The untreated effluent quality was shown to be of biological origin based on the biological oxygen demand, chloride, dissolved oxygen, total solids, pH and organic matter. The treated effluent showed significant improvement over the raw untreated effluent based on most parameters assessed. There was a significant difference (p<0.05) between the physico-chemical quality of untreated effluent and the treated effluent for the most of the investigated physico-chemical quality. The difference between the discharged treated effluent and the unimpacted section of the receiving waterbodies was also significant (p<0.05) for the most of the physico-chemical parameters.

Keywords: eflluent, Opa River, physico-chemical, waterbody

Procedia PDF Downloads 253

Authors: Shyh-Ming Chern, Te-Hsiu Tang

Abstract:

Hemicellulose is one of the major constituents of all plant cell walls, making up 15-25% of dry wood. It is a biopolymer from many different sugar monomers, including pentoses, like xylose, and hexoses, like mannose. In an effort to gasify real biomass in subcritical and supercritical water in a single process, it is necessary to understand the gasification of hemicellulose, in addition to cellulose and lignin, in subcritical and supercritical water. In the present study, xylose is chosen as the model compound for hemicellulose, since it has the largest amount in most hardwoods. Xylose is gasified in subcritical and supercritical water for the production of higher-valued gaseous products. Experiments were conducted with a 16-ml autoclave batch-type reactor. Hydrogen peroxide is adopted as the oxidant in an attempt to promote the gasification yield. The major operating parameters for the gasification include reaction temperature (400 - 600°C), reaction pressure (5 - 25 MPa), the concentration of xylose (0.05 and 0.30 M), and level of oxidant added (0 and 0.25 chemical oxygen demand). 102 experimental runs were completed out of 46 different set of experimental conditions. Product gases were analyzed with a GC-TCD and determined to be mainly composed of H₂ (10 – 74 mol. %), CO (1 – 56 mol. %), CH₄ (1 – 27 mol. %), CO₂ (10 – 50 mol. %), and C₂H₆ (0 – 8 mol. %). It has been found that the gas yield (amount of gas produced per gram of xylose gasified), higher heating value (HHV) of the dry product gas, and energy yield (energy stored in the product gas divided by the energy stored in xylose) all increase significantly with rising temperature and moderately with reducing pressure. The overall best operating condition occurred at 873 K and 10 MPa, with a gas yield of 54 mmol/g of xylose, a gas HHV of 440 kJ/mol, and an energy yield of 1.3. A seemingly unreasonably energy yield of greater than unity resulted from the external heating employed in the experiments to drive the gasification process. It is concluded that xylose can be completely gasified in subcritical and supercritical water under proper operating conditions. The addition of oxidant does not promote the gasification of xylose.

Keywords: gasification, subcritical water, supercritical water, xylose

Procedia PDF Downloads 230

Authors: Elijah Cavan

Abstract:

In Major League Sports (MLB, NBA, NHL, NFL), it is the Front Office Staff (FOS) who make decisions about who plays for their respective team. The FOS bear the brunt of the responsibility for acquiring players through drafting, trading and signing players in free agency while typically contesting with maximum roster salary constraints. The players themselves are volatile assets of these teams- their value fluctuates with age and performance. A simple comparison can be made when viewing players as assets. The problem here is similar to that of optimizing your investment portfolio. The The goal is ultimately to maximize your periodic returns while tolerating a fixed risk (degree of uncertainty/ potential loss). Each franchise may value assets differently, and some may only tolerate lower risk levels- these are examples of factors that introduce additional constraints into the model. In this talk, we will detail the mathematical formulation of this problem as a constrained optimization problem- which can be solved with classical machine learning methods but is also well posed as a problem to be solved on quantum computers

Keywords: optimization, financial mathematics, sports analytics, simulated annealing

Procedia PDF Downloads 109

Authors: J. S. S. Neto, R. A. A. Lima, D. K. K. Cavalcanti, J. P. B. Souza, R. A. A. Aguiar, M. D. Banea

Abstract:

In the last decade, investments in sustainable processes and products have gained space in several segments, such as in the civil, automobile, textile and other industries. In addition to increasing concern about the development of environmentally friendly materials that reduce, energy costs and reduces environmental impact in the production of these products, as well as reducing CO2 emissions. Natural fibers offer a great alternative to replace synthetic fibers, totally or partially, because of their low cost and their renewable source. The purpose of this research is to study the effect of surface chemical treatment on the thermal properties of hybrid fiber reinforced natural fibers (NFRC), jute + ramie, jute + sisal, jute + curauá, and jute fiber in polymer matrices. Two types of chemical treatment: alkalinization and silanization were employed, besides the condition without treatment. Differential scanning calorimetry (DSC), thermogravimetry (TG) and dynamic-mechanical analysis (DMA) were performed to explore the thermal stability and weight loss in the natural fiber reinforced composite as a function of chemical treatment.

Keywords: chemical treatment, hybrid composite, jute, thermal

Procedia PDF Downloads 303

Authors: K. K. Saijaand, K. Prabhakaran Nair

Abstract:

This study aims to determine change in optimal lo-cations of dual trailing-edge flaps for various thrust coefficient to solidity (Ct /σ) ratios of helicopter to achieve minimum hub vibration levels, with low penalty in terms of required trailing-edge flap control power. Polynomial response functions are used to approximate hub vibration and flap power objective functions. Single objective and multi-objective optimization is carried with the objective of minimizing hub vibration and flap power. The optimization results shows that the inboard flap location at low Ct/σ ratio move farther from the baseline value and at high Ct/σ ratio move towards the root of the blade for minimizing hub vibration.

Keywords: helicopter rotor, trailing-edge flap, thrust coefficient to solidity (Ct /σ) ratio, optimization

Procedia PDF Downloads 467

Authors: Nuray Yılmaz Baran

Abstract:

The conjugated Schiff base polymers which are also called as polyazomethines are promising materials for various applications due to their good thermal resistance semiconductive, liquid crystal, fiber forming, nonlinear optical outstanding photo- and electroluminescence and antimicrobial properties. In recent years, polyazomethines have attracted intense attention of researchers especially due to optoelectronic properties which have made its usage possible in organic light emitting diodes (OLEDs), solar cells (SCs), organic field effect transistors (OFETs), and photorefractive holographic materials (PRHMs). In this study, N-(pyridin-2-ylmethylidene)pyridin-2-amine Schiff base was synthesized from condensation reaction of 2-aminopyridine with 2-pyridine carbaldehyde. Polymerization of Schiff base was achieved by polycondensation reaction using NaOCl oxidant in methanol medium at various time and temperatures. The synthesized Schiff base monomer and polymer (Poly(N-(pyridin-2-ylmethylidene)pyridin-2-amine)) was characterized by UV-vis, FT-IR, 1H-NMR, XRD techniques. Molecular weight distribution and the surface morphology of the polymer was determined by GPC and SEM-EDAX techniques. Thermal behaviour of the monomer and polymer was investigated by TG/DTG, DTA and DSC techniques.

Keywords: polyazomethines, polycondensation reaction, Schiff base polymers, thermal stability

Procedia PDF Downloads 223