Search results for: methane catalytic combustion
346 A Comparison of Air Quality in Arid and Temperate Climatic Conditions – a Case Study of Leeds and Makkah
Authors: Turki M. Habeebullah, Said Munir, Karl Ropkins, Essam A. Morsy, Atef M. F. Mohammed, Abdulaziz R. Seroji
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In this paper air quality conditions in Makkah and Leeds are compared. These two cities have totally different climatic conditions. Makkah climate is characterised as hot and dry (arid) whereas that of Leeds is characterised as cold and wet (temperate). This study uses air quality data from year 2012 collected in Makkah, Saudi Arabia and Leeds, UK. The concentrations of all pollutants, except NO are higher in Makkah. Most notable, the concentrations of PM10 are much higher in Makkah than in Leeds. This is probably due to the arid nature of climatic conditions in Makkah and not solely due to anthropogenic emission sources, otherwise like PM10 some of the other pollutants, such as CO, NO, and SO2 would have shown much greater difference between Leeds and Makkah. Correlation analysis is performed between different pollutants at the same site and the same pollutants at different sites. In Leeds the correlation between PM10 and other pollutants is significantly stronger than in Makkah. Weaker correlation in Makkah is probably due to the fact that in Makkah most of the gaseous pollutants are emitted by combustion processes, whereas most of the PM10 is generated by other sources, such as windblown dust, re-suspension, and construction activities. This is in contrast to Leeds where all pollutants including PM10 are predominantly emitted by combustions, such as road traffic. Furthermore, in Leeds frequent rains wash out most of the atmospheric particulate matter and supress re-suspension of dust. Temporal trends of various pollutants are compared and discussed. This study emphasises the role of climatic conditions in managing air quality, and hence the need for region-specific controlling strategies according to the local climatic and meteorological conditions.Keywords: air pollution, climatic conditions, particulate matter, Makkah, Leeds
Procedia PDF Downloads 469345 Performance Enhancement of Hybrid Racing Car by Design Optimization
Authors: Tarang Varmora, Krupa Shah, Karan Patel
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Environmental pollution and shortage of conventional fuel are the main concerns in the transportation sector. Most of the vehicles use an internal combustion engine (ICE), powered by gasoline fuels. This results into emission of toxic gases. Hybrid electric vehicle (HEV) powered by electric machine and ICE is capable of reducing emission of toxic gases and fuel consumption. However to build HEV, it is required to accommodate motor and batteries in the vehicle along with engine and fuel tank. Thus, overall weight of the vehicle increases. To improve the fuel economy and acceleration, the weight of the HEV can be minimized. In this paper, the design methodology to reduce the weight of the hybrid racing car is proposed. To this end, the chassis design is optimized. Further, attempt is made to obtain the maximum strength with minimum material weight. The best configuration out of the three main configurations such as series, parallel and the dual-mode (series-parallel) is chosen. Moreover, the most suitable type of motor, battery, braking system, steering system and suspension system are identified. The racing car is designed and analyzed in the simulating software. The safety of the vehicle is assured by performing static and dynamic analysis on the chassis frame. From the results, it is observed that, the weight of the racing car is reduced by 11 % without compromising on safety and cost. It is believed that the proposed design and specifications can be implemented practically for manufacturing hybrid racing car.Keywords: design optimization, hybrid racing car, simulation, vehicle, weight reduction
Procedia PDF Downloads 294344 Lithium Ion Supported on TiO2 Mixed Metal Oxides as a Heterogeneous Catalyst for Biodiesel Production from Canola Oil
Authors: Mariam Alsharifi, Hussein Znad, Ming Ang
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Considering the environmental issues and the shortage in the conventional fossil fuel sources, biodiesel has gained a promising solution to shift away from fossil based fuel as one of the sustainable and renewable energy. It is synthesized by transesterification of vegetable oils or animal fats with alcohol (methanol or ethanol) in the presence of a catalyst. This study focuses on synthesizing a high efficient Li/TiO2 heterogeneous catalyst for biodiesel production from canola oil. In this work, lithium immobilized onto TiO2 by the simple impregnation method. The catalyst was evaluated by transesterification reaction in a batch reactor under moderate reaction conditions. To study the effect of Li concentrations, a series of LiNO3 concentrations (20, 30, 40 wt. %) at different calcination temperatures (450, 600, 750 ºC) were evaluated. The Li/TiO2 catalysts are characterized by several spectroscopic and analytical techniques such as XRD, FT-IR, BET, TG-DSC and FESEM. The optimum values of impregnated Lithium nitrate on TiO2 and calcination temperature are 30 wt. % and 600 ºC, respectively, along with a high conversion to be 98 %. The XRD study revealed that the insertion of Li improved the catalyst efficiency without any alteration in structure of TiO2 The best performance of the catalyst was achieved when using a methanol to oil ratio of 24:1, 5 wt. % of catalyst loading, at 65◦C reaction temperature for 3 hours of reaction time. Moreover, the experimental kinetic data were compatible with the pseudo-first order model and the activation energy was (39.366) kJ/mol. The synthesized catalyst Li/TiO2 was applied to trans- esterify used cooking oil and exhibited a 91.73% conversion. The prepared catalyst has shown a high catalytic activity to produce biodiesel from fresh and used oil within mild reaction conditions.Keywords: biodiesel, canola oil, environment, heterogeneous catalyst, impregnation method, renewable energy, transesterification
Procedia PDF Downloads 176343 The Optimization of the Parameters for Eco-Friendly Leaching of Precious Metals from Waste Catalyst
Authors: Silindile Gumede, Amir Hossein Mohammadi, Mbuyu Germain Ntunka
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Goal 12 of the 17 Sustainable Development Goals (SDGs) encourages sustainable consumption and production patterns. This necessitates achieving the environmentally safe management of chemicals and all wastes throughout their life cycle and the proper disposal of pollutants and toxic waste. Fluid catalytic cracking (FCC) catalysts are widely used in the refinery to convert heavy feedstocks to lighter ones. During the refining processes, the catalysts are deactivated and discarded as hazardous toxic solid waste. Spent catalysts (SC) contain high-cost metal, and the recovery of metals from SCs is a tactical plan for supplying part of the demand for these substances and minimizing the environmental impacts. Leaching followed by solvent extraction, has been found to be the most efficient method to recover valuable metals with high purity from spent catalysts. However, the use of inorganic acids during the leaching process causes a secondary environmental issue. Therefore, it is necessary to explore other alternative efficient leaching agents that are economical and environmentally friendly. In this study, the waste catalyst was collected from a domestic refinery and was characterised using XRD, ICP, XRF, and SEM. Response surface methodology (RSM) and Box Behnken design were used to model and optimize the influence of some parameters affecting the acidic leaching process. The parameters selected in this investigation were the acid concentration, temperature, and leaching time. From the characterisation results, it was found that the spent catalyst consists of high concentrations of Vanadium (V) and Nickel (Ni); hence this study focuses on the leaching of Ni and V using a biodegradable acid to eliminate the formation of the secondary pollution.Keywords: eco-friendly leaching, optimization, metal recovery, leaching
Procedia PDF Downloads 67342 Oxyhydrogen Gas (HHO) as Replacement to Gasoline Fuel
Authors: Rishabh Pandey, Umang Kumar Yadav
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In today’s era of technological advancement, we come across incalculable innovations, almost every day. No doubt that the society has developed a lot in learning and technology, but we should also take into account the problems and inflictions that are occurring. Focusing on the petroleum sector a trending global concern is toward lowering fuel consumption and emissions. It is well known that gasoline is non-renewable source of energy and its burning produces harmful emissions which are adversely affecting the environment, such issues are motivating us to seek alternative solutions that would not require much modification in engine design and help us come out with an outcome. Keeping in mind the importance of environment and human race, we present a factious idea of use of oxyhydrogen gas or HHO gas in place of gasoline in the vehicles and petroleum industry. This technology is prospering, highly efficient, could be used economically and safe, and it will be responsible for changing the future of oil and gas sector in accordance with protection to the environment. In the coming future, we will check the compatibility of HHO generator with fuel engine for production of oxyhydrogen gas with use of water and effect of introducing HHO gas to the combustion on both thermal efficiency and specific fuel consumption. We will also work on the comparison of HHO gas and commercially available gasoline fuel in support of their chemical structures; ignition rate; octane rating; knocking properties; storage; transportation and cost effectiveness and it is trusted that use of HHO gas will be ecofriendly as no harmful emissions are produced, rather the only emission is water. Additionally, this paper will include the use of HHO cell in fuel engines and challenges faced in installing it in the current period and provide effective solutions for the same.Keywords: fuel, gas, generator, water
Procedia PDF Downloads 327341 Photo-Degradation Black 19 Dye with Synthesized Nano-Sized ZnS
Authors: M. Tabatabaee, R. Mohebat, M. Baranian
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Textile industries produce large volumes of colored dye effluents which are toxic and non-biodegradable. Earlier studies have shown that a wide range of organic substrates can be completely photo mineralized in the presence of photocatalysts and oxidant agents. ZnO and TiO2 are important photocatalysts with high catalytic activity that have attracted much research attention. Zinc sulfide is one of the semiconductor nanomaterials that can be used for the production of optical sensitizers, photocatalysts, electroluminescent materials, optical sensors and for solar energy conversion. The synthesis of ZnS nanoparticles has been tried by various methods and sulfide sources. Elementary sulfur powder, H2S or Na2S are used as sulfide sources for synthesis of ZnS nano particles. Recently, solar energy is has been successfully used for photocatalytic degradation of dye pollutant. Studies have shown that the use of metal oxides or sulfides with ZnO or TiO2 can significantly enhance the photocatalytic activity of them. In this research, Nano-sized zinc sulfide was synthesized successfully by a simple method using thioasetamide as sulfide source in the presence of polyethylene glycol (PEG 2000). X-ray diffraction (XRD) spectroscopy scanning electron microscope (SEM) was used to characterize the structure and morphology synthesized powder. The effect of photocatalytic activity of prepared ZnS and ZnS/ZnO, on degradation of direct Black19 under UV and sunlight irradiation was investigated. The effects of various parameters such as amount of photocatalyst, pH, initial dye concentration and irradiation time on decolorization rate were systematically investigated. Results show that more than 80% of 500 mgL-1 of dye decolorized in 60-min reaction time under UV and solar irradiation in the presence of ZnS nanoparticles. Whereas, mixed ZnS/ZnO (50%) can decolorize more than 80% of dye in the same conditions.Keywords: zinc sulfide, nano articles, photodegradation, solar light
Procedia PDF Downloads 404340 In situ Ortho-Quinone Methide Reactions for Construction of Flavonoids with Fused Ring Systems
Authors: Vidia A. Nuraini, Eugene M. H. Yee, Mohan Bhadbhade, David StC. Black, Naresh Kumar
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Flavonoids are naturally occurring compounds that have been shown to exhibit a wide range of biological properties including anticancer and anti-inflammatory activities. However, flavonoids suffer from low bioavailability, which limits their overall utility for therapeutic applications. One of the methods to overcome this limitation is through structural modification of natural flavonoids. In this study, flavanone, isoflavanone, and isoflavene, were structurally modified through the introduction of additional fused-ring systems via ortho-quinone methide intermediates (o-QMs). These intermediates can readily undergo a [4+2] cycloaddition through an inverse-electron-demand Diels–Alder reaction with electron-rich dienophiles. A regioselective Mannich reaction using bis-(N,N-dimethylamino)methane was employed to generate the o-QM precursors of flavanone, isoflavanone, and isoflavene. The o-QM intermediates were subsequently generated in situ through thermal elimination of the dimethylamine functionality and reacted with a variety of dienophiles to produce novel flavonoids with fused-ring systems. A total of 21 novel flavonoid analogs were successfully synthesized. The X-ray crystal structure of cycloaddition adducts, particularly those derived from 3,4-dihydro-2H-pyran and p-methoxystyrene revealed a special case of enantiomeric disorder, where two enantiomers in equal amounts superpose with one another, with the exception for atoms that have opposite configuration. The anticancer properties of fused-ring systems derived from isoflavene were evaluated against the neuroblastoma SKN-BE(2)C, the triple negative breast cancer MDA-MB-231, and the glioblastoma U87 cancer cell lines. One of these cycloaddition adducts had displayed improved anti-proliferative activity against MDA-MB-231 and U87 cancer cell lines as compared to the parent compound. Further anticancer and anti-inflammatory activities of the flavanone and isoflavanone analogs are currently being investigated.Keywords: Diels-Alder reaction, flavonoids, Mannich reaction, ortho-quinone methide.
Procedia PDF Downloads 251339 Anaerobic Digestion Batch Study of Taxonomic Variations in Microbial Communities during Adaptation of Consortium to Different Lignocellulosic Substrates Using Targeted Sequencing
Authors: Priyanka Dargode, Suhas Gore, Manju Sharma, Arvind Lali
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Anaerobic digestion has been widely used for production of methane from different biowastes. However, the complexity of microbial communities involved in the process is poorly understood. The performance of biogas production process concerning the process productivity is closely coupled to its microbial community structure and syntrophic interactions amongst the community members. The present study aims at understanding taxonomic variations occurring in any starter inoculum when acclimatised to different lignocellulosic biomass (LBM) feedstocks relating to time of digestion. The work underlines use of high throughput Next Generation Sequencing (NGS) for validating the changes in taxonomic patterns of microbial communities. Biomethane Potential (BMP) batches were set up with different pretreated and non-pretreated LBM residues using the same microbial consortium and samples were withdrawn for studying the changes in microbial community in terms of its structure and predominance with respect to changes in metabolic profile of the process. DNA of samples withdrawn at different time intervals with reference to performance changes of the digestion process, was extracted followed by its 16S rRNA amplicon sequencing analysis using Illumina Platform. Biomethane potential and substrate consumption was monitored using Gas Chromatography(GC) and reduction in COD (Chemical Oxygen Demand) respectively. Taxonomic analysis by QIIME server data revealed that microbial community structure changes with different substrates as well as at different time intervals. It was observed that biomethane potential of each substrate was relatively similar but, the time required for substrate utilization and its conversion to biomethane was different for different substrates. This could be attributed to the nature of substrate and consequently the discrepancy between the dominance of microbial communities with regards to different substrate and at different phases of anaerobic digestion process. Knowledge of microbial communities involved would allow a rational substrate specific consortium design which will help to reduce consortium adaptation period and enhance the substrate utilisation resulting in improved efficacy of biogas process.Keywords: amplicon sequencing, biomethane potential, community predominance, taxonomic analysis
Procedia PDF Downloads 532338 Catalytic Synthesis and Characterization of N-(4-(Tert-Butyl) Benzyl)-1-(4-Tert-Butyl) Phenyl)-N-Methyl Methanaminium Chloride from Tert-Butyl Benzyl Derivatives
Authors: Muhammad A. Muhammad
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Butenafine (N-4-tert-butyl benzyl-N-methyl-1-naphthylene methylamine hydrochloride) is a benzylamine antimycotic (antifungal) agent that has a broad spectrum of action. The quest for improved antimycotic action brought about many research on the structure-activity properties of butenafine in relation to other antifungal agents. Of all those research, only little or no effort was recorded on the substituents attached to the aromatic systems in butenafine. In this research, N-(4-(tert-butyl) benzyl)-1-(4-tert-butyl) phenyl)-N-methyl methanaminium chloride, which is a butenafine analogue was synthesised from tert-butyl benzyl derivatives, by reductive amination using various solvents through a direct approach, where 1,2-dichloroethane gave the best solvent action at 40 °C (Yield: 75%) and of all the reducing agents used, sodium borohydride was found to give the best reducing action in the presence of silica chloride at room temperature (Yield: 50%). Characterization of the compound by 1H NMR showed a singlet peak of 18 hydrogen atoms with a chemical shift at 1.3-1.5 ppm for the presence of 6 methyl groups in the two tert-butyl substituents, the 13C NMR also indicated the presence of the two tert-butyl substituents by the peak with a chemical shift at 31-32 ppm for the six methyl carbon atoms, the IR indicated the presence of a tertiary ammonium ion by a strong band at 2460 cm-1 and finally the EIS-MS confirmed the molar mass of the compound by a mass to charge ratio of 324.2693. These results suggested that the target molecule was actually synthesised and therefore, 1,2-dichloroethane is a good solvent for this synthesis, and the most suitable reducing agent is sodium borohydride.Keywords: antimicrobial agents, antimycotic agents, butenafine, chemotherapeutic agents, semisynthetic agents
Procedia PDF Downloads 292337 Synthesis of Pendent Compartmental Ligand Derived from Polymethacrylate of 3-Formylsalicylic Acid Schiff Base and Its Application Studies
Authors: Dhivya Arumugam, Kaliyappan Thananjeyan
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The monomer of (3-((4-(methacryloyloxy)phenylimino)methyl)-2-hydroxybenzoic acid) schiff base polymer was prepared by reacting methacryloyl chloride with imine compound derived from 3-formylsalisylic acid and 4- aminophenol. The monomer was polymerized in DMF at 70oC using benzoyl peroxide as free radical initiator. Polymer metal complex was obtained in DMF solution of polymer with aqueous solution of metal ions. The polymer and the polymer metal complex were characterized by elemental analysis and spectral studies. The elemental analysis data suggest that the metal to ligand ratio is 1:1 and hence, it acts as a binucleating compartmental ligand. The IR spectral data of these complexes suggest that the metals are coordinated through nitrogen of the imine group, the oxygen of carboxylate ion and the oxygen of the phenolic –OH group which also acts as the bridging ligand. The electronic spectra and magnetic moments of the polychelates shows that octahedral and square planar structure for Ni(II) and Cu(II) complexes respectively. X-ray diffraction studies revealed that polychelates are highly crystalline. The thermal and electrical properties, catalytic activity, structure property relationships are discussed. Further the synthesized polymer was used for metal uptake studies from waste water, which is one of the effective waste water treatment strategies. And also, the polymers and polychelates were investigated for antimicrobial activity with various microorganisms by using agar well diffusion method and the results have been discussed.Keywords: acyclic compartmental ligands, binucleating ligand, 3-formylsalicylic acid, free radical polymerization, polluting ions, polychelate
Procedia PDF Downloads 124336 Graphene-reinforced Metal-organic Framework Derived Cobalt Sulfide/Carbon Nanocomposites as Efficient Multifunctional Electrocatalysts
Authors: Yongde Xia, Laicong Deng, Zhuxian Yang
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Developing cost-effective electrocatalysts for oxygen reduction reaction (ORR), oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) is vital in energy conversion and storage applications. Herein, we report a simple method for the synthesis of graphene-reinforced cobalt sulfide/carbon nanocomposites and the evaluation of their electrocatalytic performance for typical electrocatalytic reactions. Nanocomposites of cobalt sulfide embedded in N, S co-doped porous carbon and graphene (CoS@C/Graphene) were generated via simultaneous sulfurization and carbonization of one-pot synthesized graphite oxide-ZIF-67 precursors. The obtained CoS@C/Graphene nanocomposite was characterized by X-ray diffraction, Raman spectroscopy, Thermogravimetric analysis-Mass spectroscopy, Scanning electronic microscopy, Transmission electronic microscopy, X-ray photoelectron spectroscopy and gas sorption. It was found that cobalt sulfide nanoparticles were homogenously dispersed in the in-situ formed N, S co-doped porous carbon/Graphene matrix. The CoS@C/10Graphene composite not only shows excellent electrocatalytic activity toward ORR with high onset potential of 0.89 V, four-electron pathway and superior durability of maintaining 98% current after continuously running for around 5 hours, but also exhibits good performance for OER and HER, due to the improved electrical conductivity, increased catalytic active sites and connectivity between the electrocatalytic active cobalt sulfide and the carbon matrix. This work offers a new approach for the development of novel multifunctional nanocomposites for the next generation of energy conversion and storage applications.Keywords: MOF derivative, graphene, electrocatalyst, oxygen reduction reaction, oxygen evolution reaction, hydrogen evolution reaction
Procedia PDF Downloads 50335 Increasing the Efficiency of the Biomass Gasification Technology with Using the Organic Rankin Cycle
Authors: Jaroslav Frantík, Jan Najser
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This article deals with increasing the energy efficiency of a plant in terms of optimizing the process. The European Union is striving to achieve the climate-energy package in the area increasing of energy efficiency. The goal of energy efficiency is to reduce primary energy consumption by 20% within the EU until 2020. The objective of saving energy consumption in the Czech Republic was set at 47.84 PJ (13.29 TWh). For reducing electricity consumption, it is possible to choose: a) mandatory increasing of energy efficiency, b) alternative scheme, c) combination of both actions. The Czech Republic has chosen for reducing electricity consumption using-alternative scheme. The presentation is focused on the proposal of a technological unit dealing with the gasification process of processing of biomass with an increase of power in the output. The synthesis gas after gasification of biomass is used as fuel in a cogeneration process of reciprocating internal combustion engine with the classic production of heat and electricity. Subsequently, there is an explanation of the ORC system dealing with the conversion of waste heat to electricity with the using closed cycle of the steam process with organic medium. The arising electricity is distributed to the power grid as a further energy source, or it is used for needs of the partial coverage of the technological unit. Furthermore, there is a presented schematic description of the technology with the identification of energy flows starting from the biomass treatment by drying, through its conversion to gaseous fuel, producing of electricity and utilize of thermal energy with minimizing losses. It has been found that using of ORC system increased the efficiency of the produced electricity by 7.5%.Keywords: biomass, efficiency, gasification, ORC system
Procedia PDF Downloads 217334 Hierarchical Porous Carbon Composite Electrode for High Performance Supercapacitor Application
Authors: Chia-Chia Chang, Jhen-Ting Huang, Hu-Cheng Weng, An-Ya Lo
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This study developed a simple hierarchical porous carbon (HPC) synthesis process and used for supercapacitor application. In which, mesopore provides huge specific surface area, meanwhile, macropore provides excellent mass transfer. Thus the hierarchical porous electrode improves the charge-discharge performance. On the other hand, cerium oxide (CeO2) have also got a lot research attention owing to its rich in content, low in price, environmentally friendly, good catalytic properties, and easy preparation. Besides, a rapid redox reaction occurs between trivalent cerium and tetravalent cerium releases oxygen atom and increase the conductivity. In order to prevent CeO2 from disintegration under long-term charge-discharge operation, the CeO2 carbon porous materials were was integrated as composite material in this study. For in the ex-situ analysis, scanning electron microscope (SEM), X-ray diffraction (XRD), transmission electron microscope (TEM) analysis were adopted to identify the surface morphology, crystal structure, and microstructure of the composite. 77K Nitrogen adsorption-desorption analysis was used to analyze the porosity of each specimen. For the in-situ test, cyclic voltammetry (CV) and chronopotentiometry (CP) were conducted by potentiostat to understand the charge and discharge properties. Ragone plot was drawn to further analyze the resistance properties. Based on above analyses, the effect of macropores/mespores and the CeO2/HPC ratios on charge-discharge performance were investigated. As a result, the capacitance can be greatly enhanced by 2.6 times higher than pristine mesoporous carbon electrode.Keywords: hierarchical porous carbon, cerium oxide, supercapacitor
Procedia PDF Downloads 123333 Some Extreme Halophilic Microorganisms Produce Extracellular Proteases with Long Lasting Tolerance to Ethanol Exposition
Authors: Cynthia G. Esquerre, Amparo Iris Zavaleta
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Extremophiles constitute a potentially valuable source of proteases for the development of biotechnological processes; however, the number of available studies in the literature is limited compared to mesophilic counterparts. Therefore, in this study, Peruvian halophilic microorganisms were characterized to select suitable proteolytic strains that produce active proteases under exigent conditions. Proteolysis was screened using the streak plate method with gelatin or skim milk as substrates. After that, proteolytic microorganisms were selected for phenotypic characterization and screened by a semi-quantitative proteolytic test using a modified method of diffusion agar. Finally, proteolysis was evaluated using partially purified extracts by ice-cold ethanol precipitation and dialysis. All analyses were carried out over a wide range of NaCl concentrations, pH, temperature and substrates. Of a total of 60 strains, 21 proteolytic strains were selected, of these 19 were extreme halophiles and 2 were moderates. Most proteolytic strains demonstrated differences in their biochemical patterns, particularly in sugar fermentation. A total of 14 microorganisms produced extracellular proteases, 13 were neutral, and one was alkaline showing activity up to pH 9.0. Proteases hydrolyzed gelatin as the most specific substrate. In general, catalytic activity was efficient under a wide range of NaCl (1 to 4 M NaCl), temperature (37 to 55 °C) and after an ethanol exposition performed at -20 °C for 24 hours. In conclusion, this study reported 14 candidates extremely halophiles producing extracellular proteases capable of being stable and active on a wide range of NaCl, temperature and even long lasting ethanol exposition.Keywords: biotechnological processes, ethanol exposition, extracellular proteases, extremophiles
Procedia PDF Downloads 285332 Solubility of Carbon Dioxide in Methoxy and Nitrile-Functionalized Ionic Liquids
Authors: D. A. Bruzon, G. Tapang, I. S. Martinez
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Global warming and climate change are significant environmental concerns, which require immediate global action in carbon emission mitigation. The capture, sequestration, and conversion of carbon dioxide to other products such as methane or ethanol are ways to control excessive emissions. Ionic liquids have shown great potential among the materials studied as carbon capture solvents and catalysts in the reduction of CO2. In this study, ionic liquids comprising of a methoxy (-OCH3) and cyano (-CN) functionalized imidazolium cation, [MOBMIM] and [CNBMIM] respectively, paired with tris(pentafluoroethyl)trifluorophosphate [FAP] anion were evaluated as effective capture solvents, and organocatalysts in the reduction of CO2. An in-situ electrochemical set-up, which can measure controlled amounts of CO2 both in the gas and in the ionic liquid phase, was used. Initially, reduction potentials of CO2 in the CO2-saturated ionic liquids containing the internal standard cobaltocene were determined using cyclic voltammetry. Chronoamperometric transients were obtained at potentials slightly less negative than the reduction potentials of CO2 in each ionic liquid. The time-dependent current response was measured under a controlled atmosphere. Reduction potentials of CO2 in methoxy and cyano-functionalized [FAP] ionic liquids were observed to occur at ca. -1.0 V (vs. Cc+/Cc), which was significantly lower compared to the non-functionalized analog [PMIM][FAP], with an observed reduction potential of CO2 at -1.6 V (vs. Cc+/Cc). This decrease in the potential required for CO2 reduction in the functionalized ionic liquids shows that the functional groups methoxy and cyano effectively decreased the free energy of formation of the radical anion CO2●⁻, suggesting that these electrolytes may be used as organocatalysts in the reduction of the greenhouse gas. However, upon analyzing the solubility of the gas in each ionic liquid, [PMIM][FAP] showed the highest absorption capacity, at 4.81 mM under saturated conditions, compared to [MOBMIM][FAP] at 1.86 mM, and [CNBMIM][FAP] at 0.76 mM. Also, calculated Henry’s constant determined from the concentration-pressure graph of each functionalized ionic liquid shows that the groups -OCH3 and -CN attached terminal to a C4 alkyl chain do not significantly improve CO2 solubility.Keywords: carbon capture, CO2 reduction, electrochemistry, ionic liquids
Procedia PDF Downloads 402331 A Moroccan Natural Solution for Treating Industrial Effluents: Evaluating the Effectiveness of Using Date Kernel Residues for Purification
Authors: Ahmed Salim, A. El Bouari, M. Tahiri, O. Tanane
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This research aims to develop and comprehensively characterize a cost-effective activated carbon derived from date residues, with a focus on optimizing its physicochemical properties to achieve superior performance in a variety of applications. The samples were synthesized via a chemical activation process utilizing phosphoric acid (H₃PO₄) as the activating agent. Activated carbon, produced through this method, functions as a vital adsorbent for the removal of contaminants, with a specific focus on methylene blue, from industrial wastewater. This study meticulously examined the influence of various parameters, including carbonization temperature and duration, on both the combustion properties and adsorption efficiency of the resultant material. Through extensive analysis, the optimal conditions for synthesizing the activated carbon were identified as a carbonization temperature of 600°C and a duration of 2 hours. The activated carbon synthesized under optimized conditions demonstrated an exceptional carbonization yield and methylene blue adsorption efficiency of 99.71%. The produced carbon was subsequently characterized using X-ray diffraction (XRD) analysis. Its effectiveness in the adsorption of methylene blue from contaminated water was then evaluated. A comprehensive assessment of the adsorption capacity was conducted by varying parameters such as carbon dosage, contact time, initial methylene blue concentration, and pH levels.Keywords: environmental pollution, adsorbent, activated carbon, phosphoric acid, date Kernels, pollutants, adsorption
Procedia PDF Downloads 44330 Heat Treatment of Additively Manufactured Hybrid Rocket Fuel Grains
Authors: Jim J. Catina, Jackee M. Gwynn, Jin S. Kang
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Additive manufacturing (AM) for hybrid rocket engines is becoming increasingly attractive due to its ability to create complex grain configurations with improved regression rates when compared to cast grains. However, the presence of microvoids in parts produced through the additive manufacturing method of Fused Deposition Modeling (FDM) results in a lower fuel density and is believed to cause a decrease in regression rate compared to ideal performance. In this experiment, FDM was used to create hybrid rocket fuel grains with a star configuration composed of acrylonitrile butadiene styrene (ABS). Testing was completed to determine the effect of heat treatment as a post-processing method to improve the combustion performance of hybrid rocket fuel grains manufactured by FDM. For control, three ABS star configuration grains were printed using FDM and hot fired using gaseous oxygen (GOX) as the oxidizer. Parameters such as thrust and mass flow rate were measured. Three identical grains were then heat treated to varying degrees and hot fired under the same conditions as the control grains. This paper will quantitatively describe the amount of improvement in engine performance as a result of heat treatment of the AM hybrid fuel grain. Engine performance is measured in this paper by specific impulse, which is determined from the thrust measurements collected in testing.Keywords: acrylonitrile butadiene styrene, additive manufacturing, fused deposition modeling, heat treatment
Procedia PDF Downloads 117329 Reusability of Coimmobilized Enzymes
Authors: Aleksandra Łochowicz, Daria Świętochowska, Loredano Pollegioni, Nazim Ocal, Franck Charmantray, Laurence Hecquet, Katarzyna Szymańska
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Multienzymatic cascade reactions are nowadays widely used in pharmaceutical, chemical and cosmetics industries to produce high valuable compounds. They can be carried out in two ways, step by step and one-pot. If two or more enzymes are in the same reaction vessel is necessary to work out the compromise to run the reaction in optimal conditions for each enzyme. So far most of the reports of multienzymatic cascades concern on usage of free enzymes. Unfortunately using free enzymes as catalysts of reactions accomplish high cost. What is more, free enzymes are soluble in solvents which makes reuse impossible. To overcome this obstacle enzymes can be immobilized what provides heterogeneity of biocatalyst that enables reuse and easy separation of the enzyme from solvents and reaction products. Usually, immobilization increase also the thermal and operational stability of enzyme. The advantages of using immobilized multienzymes are enhanced enzyme stability, improved cascade enzymatic activity via substrate channeling, and ease of recovery for reuse. The one-pot immobilized multienzymatic cascade can be carried out in mixed or coimmobilized type. When biocatalysts are coimmobilized on the same carrier the are in close contact to each other which increase the reaction rate and catalytic efficiency, and eliminate the lag time. However, in this type providing the optimal conditions both in the process of immobilization and cascade reaction for each enzyme is complicated. Herein, we examined immobilization of 3 enzymes: D-amino acid oxidase from Rhodotorula gracilis, commercially available catalase and transketolase from Geobacillus stearothermophilus. As a support we used silica monoliths with hierarchical structure of pores. Then we checked their stability and reusability in one-pot cascade of L-erythrulose and hydroxypuryvate acid synthesis.Keywords: biocatalysts, enzyme immobilization, multienzymatic reaction, silica carriers
Procedia PDF Downloads 150328 Microwave Dielectric Properties and Microstructures of Nd(Ti₀.₅W₀.₅)O₄ Ceramics for Application in Wireless Gas Sensors
Authors: Yih-Chien Chen, Yue-Xuan Du, Min-Zhe Weng
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Carbon monoxide is a substance produced by the incomplete combustion. It is toxic even at concentrations of less than 100ppm. Since it is colorless and odorless, it is difficult to detect. CO sensors have been developed using a variety of physical mechanisms, including semiconductor oxides, solid electrolytes, and organic semiconductors. Many works have focused on using semiconducting sensors composed of sensitive layers such as ZnO, TiO₂, and NiO with high sensitivity for gases. However, these sensors working at high temperatures increased their power consumption. On the other hand, the dielectric resonator (DR) is attractive for gas detection due to its large surface area and sensitivity for external environments. Materials that are to be employed in sensing devices must have a high-quality factor. Numerous researches into the fergusonite-type structure and related ceramic systems have explored. Extensive research into RENbO₄ ceramics has explored their potential application in resonators, filters, and antennas in modern communication systems, which are operated at microwave frequencies. Nd(Ti₀.₅W₀.₅)O₄ ceramics were synthesized herein using the conventional mixed-oxide method. The Nd(Ti₀.₅W₀.₅)O₄ ceramics were prepared using the conventional solid-state method. Dielectric constants (εᵣ) of 15.4-19.4 and quality factor (Q×f) of 3,600-11,100 GHz were obtained at sintering temperatures in the range 1425-1525°C for 4 h. The dielectric properties of the Nd(Ti₀.₅W₀.₅)O₄ ceramics at microwave frequencies were found to vary with the sintering temperature. For a further understanding of these microwave dielectric properties, they were analyzed by densification, X-ray diffraction (XRD), and by making microstructural observations.Keywords: dielectric constant, dielectric resonators, sensors, quality factor
Procedia PDF Downloads 260327 Synthesis of Pd Nanoparticles Confined in Graphene Oxide Framework as Nano Catalyst with Improved Activity and Recyclability in Suzuki-Miyaura Cross-Coupling Reaction
Authors: Thuy Phuong Nhat Tran, Ashutosh Thakur, Toshiaki Taniike
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Recently, covalently linked graphene oxide frameworks (GOFs) have attracted considerable attention in gas absorbance and water purification as well-defined microporous materials. In spite of their potential advantages such as a controllable pore dimension, adjustable hydrophobicity, and structural stability, these materials have been scarcely employed in heterogeneous catalysis. Here we demonstrate a novel and facile method to synthesize Pd nanoparticles (NPs) confined in a GOF (Pd@GOF). The GOF with uniform interlayer space was obtained by the intercalation of diboronic acid between graphene oxide layers. It was found that Pd NPs were generated inside the graphitic gallery spaces of the GOF, and thus, formed Pd NPs were well-dispersed with a narrow particle size distribution. The synthesized Pd@GOF emerged as an efficient nanocatalyst based on its superior performance (product yield and recyclability) toward Suzuki-Miyaura cross-coupling reaction in both polar and apolar solvents, which has been hardly observed for previously reported graphene-based Pd nanocatalysts. Furthermore, the rational comparison of the catalytic performance between two kinds of Pd@GOF (Pd NPs encapsulated in a diboronic ester-intercalated GOF and in a monoboronic ester-intercalated GOF) firmly confirmed the essential role of a rigid framework design in the stabilization of Pd NPs. Based on these results, the covalently assembled GOF was proposed as a promising scaffold for hosting noble metal NPs to construct desired metal@GOF nanocatalysts with improved activity and durability.Keywords: graphene oxide framework, palladium nanocatalyst, pore confinement, Suzuki-Miyaura cross-coupling reaction
Procedia PDF Downloads 136326 Efficient L-Xylulose Production Using Whole-Cell Biocatalyst With NAD+ Regeneration System Through Co-Expression of Xylitol Dehydrogenase and NADH Oxidase in Escherichia Coli
Authors: Mesfin Angaw Tesfay
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L-Xylulose is a potentially valuable rare sugar used as starting material for antiviral and anticancer drug development in pharmaceutical industries. L-Xylulose exist in a very low concentration in nature and have to be synthesized from cheap starting materials such as xylitol through biotechnological approaches. In this study, cofactor engineering and deep eutectic solvent were applied to improve the efficiency of L-xylulose production from xylitol. A water-forming NAD+ regeneration enzyme (NADH oxidase) from Streptococcus mutans ATCC 25175 was introduced into E. coli with xylitol-4-dehydrogenase (XDH) of Pantoea ananatis resulting in recombinant cells harboring the vector pETDuet-xdh-SmNox. Further, three deep eutectic solvents (DES) including, Choline chloride/glycerol (ChCl/G), Choline chloride/urea (ChCl/U), and Choline chloride/ethylene glycol (ChCl/EG) have been employed to facilitate the conversion efficiency of L-xylulose from xylitol. The co-expression system exhibited optimal activity at a temperature of 37 ℃ and pH 8.5, and the addition of Mg2+ enhanced the catalytic activity by 1.19-fold. Co-expression of NADH oxidase with XDH enzyme resulted in increased L-xylulose concentration and productivity from xylitol as well as the intracellular NAD+ concentration. Two of the DES used (ChCl/U and ChCl/EG) show positive effects on product yield and the ChCl/G has inhibiting effects. The optimum concentration of ChCl/U was 2.5%, which increased the L-xylulose yields compared to the control without DES. In a 1 L fermenter the final concentration and productivity of L-xylulose from 50 g/L of xylitol reached 48.45 g/L, and 2.42 g/L.h respectively, which was the highest report. Overall, this study is a suitable approach for large-scale production of L-xylulose from xylitol using the engineered E. coli cell.Keywords: Xylitol-4-dehydrogenase, NADH oxidase, L-xylulose, Xylitol, Coexpression, DESs
Procedia PDF Downloads 22325 Thermodynamic Analysis of Wet Compression Integrated with Air-Film Blade Cooling in Gas Turbine Power Plants
Authors: Hassan Athari, Alireza Ruhi Sales, Amin Pourafshar, Seyyed Mehdi Pestei, Marc. A. Rosen
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In order to achieve high efficiency and high specific work with lower emissions, the use of advanced gas turbine cycles for power generation is useful and advantageous. Here, evaporative inlet air cooling is analyzed thermodynamically in the form of air film blade cooling of gas turbines. As the ambient temperature increases during summer months, the performance of gas turbines particularly the output power and energy efficiency are significantly decreased. The utilization of evaporative inlet cooling in gas turbine cycles increases gas turbine performance, which can assist to solve the problem in meeting the increasing demands for electrical power and offsetting shortages during peak load times. In the present research, because of the importance of turbine blade cooling, the turbine is investigated with cold compressed air used for cooling the turbine blades. The investigation of the basic and modified cycles shows that, by adding an evaporative cooler to a simple gas turbine cycle, for a turbine inlet temperature of 1400 °C, an ambient temperature of 45 °C and a relative humidity of 15%, the specific work can reach 331 (kJ/kg air), while the maximum specific work of a simple cycle for the same conditions is 273.7 (kJ/kg air). The exergy results reveal that the highest exergy destruction occurs in the combustion chamber, where the large temperature differences and highly exothermic chemical reactions are the main sources of the irreversibility.Keywords: energy, exergy, wet compression, air-film cooling blade, gas turbine
Procedia PDF Downloads 153324 The Role of Home Composting in Waste Management Cost Reduction
Authors: Nahid Hassanshahi, Ayoub Karimi-Jashni, Nasser Talebbeydokhti
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Due to the economic and environmental benefits of producing less waste, the US Environmental Protection Agency (EPA) introduces source reduction as one of the most important means to deal with the problems caused by increased landfills and pollution. Waste reduction involves all waste management methods, including source reduction, recycling, and composting, which reduce waste flow to landfills or other disposal facilities. Source reduction of waste can be studied from two perspectives: avoiding waste production, or reducing per capita waste production, and waste deviation that indicates the reduction of waste transfer to landfills. The present paper has investigated home composting as a managerial solution for reduction of waste transfer to landfills. Home composting has many benefits. The use of household waste for the production of compost will result in a much smaller amount of waste being sent to landfills, which in turn will reduce the costs of waste collection, transportation and burial. Reducing the volume of waste for disposal and using them for the production of compost and plant fertilizer might help to recycle the material in a shorter time and to use them effectively in order to preserve the environment and reduce contamination. Producing compost in a home-based manner requires very small piece of land for preparation and recycling compared with other methods. The final product of home-made compost is valuable and helps to grow crops and garden plants. It is also used for modifying the soil structure and maintaining its moisture. The food that is transferred to landfills will spoil and produce leachate after a while. It will also release methane and greenhouse gases. But, composting these materials at home is the best way to manage degradable materials, use them efficiently and reduce environmental pollution. Studies have shown that the benefits of the sale of produced compost and the reduced costs of collecting, transporting, and burying waste can well be responsive to the costs of purchasing home compost machine and the cost of related trainings. Moreover, the process of producing home compost may be profitable within 4 to 5 years and as a result, it will have a major role in reducing waste management.Keywords: compost, home compost, reducing waste, waste management
Procedia PDF Downloads 426323 Vehicle Gearbox Fault Diagnosis Based on Cepstrum Analysis
Authors: Mohamed El Morsy, Gabriela Achtenová
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Research on damage of gears and gear pairs using vibration signals remains very attractive, because vibration signals from a gear pair are complex in nature and not easy to interpret. Predicting gear pair defects by analyzing changes in vibration signal of gears pairs in operation is a very reliable method. Therefore, a suitable vibration signal processing technique is necessary to extract defect information generally obscured by the noise from dynamic factors of other gear pairs. This article presents the value of cepstrum analysis in vehicle gearbox fault diagnosis. Cepstrum represents the overall power content of a whole family of harmonics and sidebands when more than one family of sidebands is present at the same time. The concept for the measurement and analysis involved in using the technique are briefly outlined. Cepstrum analysis is used for detection of an artificial pitting defect in a vehicle gearbox loaded with different speeds and torques. The test stand is equipped with three dynamometers; the input dynamometer serves as the internal combustion engine, the output dynamometers introduce the load on the flanges of the output joint shafts. The pitting defect is manufactured on the tooth side of a gear of the fifth speed on the secondary shaft. Also, a method for fault diagnosis of gear faults is presented based on order cepstrum. The procedure is illustrated with the experimental vibration data of the vehicle gearbox. The results show the effectiveness of cepstrum analysis in detection and diagnosis of the gear condition.Keywords: cepstrum analysis, fault diagnosis, gearbox, vibration signals
Procedia PDF Downloads 379322 Finite Difference Modelling of Temperature Distribution around Fire Generated Heat Source in an Enclosure
Authors: A. A. Dare, E. U. Iniegbedion
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Industrial furnaces generally involve enclosures of fire typically initiated by the combustion of gases. The fire leads to temperature distribution inside the enclosure. A proper understanding of the temperature and velocity distribution within the enclosure is often required for optimal design and use of the furnace. This study was therefore directed at numerical modeling of temperature distribution inside an enclosure as typical in a furnace. A mathematical model was developed from the conservation of mass, momentum and energy. The stream function-vorticity formulation of the governing equations was solved by an alternating direction implicit (ADI) finite difference technique. The finite difference formulation obtained were then developed into a computer code. This was used to determine the temperature, velocities, stream function and vorticity. The effect of the wall heat conduction was also considered, by assuming a one-dimensional heat flow through the wall. The computer code (MATLAB program) developed was used for the determination of the aforementioned variables. The results obtained showed that the transient temperature distribution assumed a uniform profile which becomes more chaotic with increasing time. The vertical velocity showed increasing turbulent behavior with time, while the horizontal velocity assumed decreasing laminar behavior with time. All of these behaviours were equally reported in the literature. The developed model has provided understanding of heat transfer process in an industrial furnace.Keywords: heat source, modelling, enclosure, furnace
Procedia PDF Downloads 255321 Sulfonic Acid Functionalized Ionic Liquid in Combinatorial Approach: A Recyclable and Water Tolerant-Acidic Catalyst for Friedlander Quinoline Synthesis
Authors: Jafar Akbari
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Quinolines are very important compounds partially because of their pharmacological properties which include wide applications in medicinal chemistry. notable among them are antimalarial drugs, anti-inflammatory agents, antiasthamatic, antibacterial, antihypertensive, and tyrosine kinase inhibiting agents. Despite quinoline usage in pharmaceutical and other industries, comparatively few methods for their preparation have been reported.The Friedlander annulation is one of the simplest and most straightforward methods for the synthesis of poly substituted quinolines. Although, modified methods employing lewis or br¢nsted acids have been reported for the synthesis of quinolines, the development of water stable acidic catalyst for quinoline synthesis is quite desirable. One of the most remarkable features of ionic liquids is that the yields can be optimized by changing the anions or the cations. Recently, sulfonic acid functionalized ionic liquids were used as solvent-catalyst for several organic reactions. We herein report the one pot domino approach for the synthesis of quinoline derivatives in Friedlander manner using TSIL as a catalyst. These ILs are miscible in water, and their homogeneous system is readily separated from the reaction product, combining advantages of both homogeneous and heterogeneous catalysis. In this reaction, the catalyst plays a dual role; it ensures an effective condensation and cyclization of 2-aminoaryl ketone with second carbonyl group and it also promotes the aromatization to the final product. Various types of quinolines from 2-aminoaryl ketones and β-ketoesters/ketones were prepared in 85-98% yields using the catalytic system of SO3-H functionalized ionic liquid/H2O. More importantly, the catalyst could be easily recycled for five times without loss of much activity.Keywords: antimalarial drugs, green chemistry, ionic liquid, quinolines
Procedia PDF Downloads 210320 Analysis of a Multiejector Cooling System in a Truck at Different Loads
Authors: Leonardo E. Pacheco, Carlos A. Díaz
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An alternative way of addressing the difficult to recover the useless heat is through an ejector refrigeration cycle for vehicles applications. A group of thermo-compressor supply the mechanical compressor function at conventional refrigeration compression system. The thermo-compressor group recovers the thermal energy from waste streams (exhaust gases product in internal combustion motors, gases burned in wellhead among others) to eliminate the power consumption of the mechanical compressor. These types of alternative cooling system (air-conditioners) present a kind of advantages in both the increase in energy efficiency and the improvement of the COP of the system being studied from their its mechanical simplicity (decrease of moving parts). An ejector refrigeration cycle represents a significant step forward in the optimization of the efficient use of energy in the process of air conditioning and an alternative to reduce the environmental impacts. On one side, with the energy recycling decreases the temperature of the gases thrown into the atmosphere, which contributes to the principal beneficiaries of the average temperature of the planet. In parallel, mitigating the environmental impact caused by the production and handling of conventional cooling fluids commonly available in the market, causing the destruction of the ozone layer. This work had studied the operation of the multiejector cooling system for a truck with a 420 HP engine at different rotation speed. The operation condition limits and the COP of multi-ejector cooling systems applied in a truck are analyzed for a variable rpm range from to 800–1800 rpm.Keywords: ejector system, exhaust gas, multiejector cooling system, recovery energy
Procedia PDF Downloads 260319 Hydrothermal Synthesis of Hydrosodalite by Using Ultrasounds
Authors: B. Białecka, Z. Adamczyk, M. Cempa
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The use of ultrasounds in zeolization of fly ash can increase the efficiency of this process. The molar ratios of the reagents, as well as the time and temperature of the synthesis, are the main parameters determining the type and properties of the zeolite formed. The aim of the work was to create hydrosodalite in a short time (8h), with low NaOH concentration (3 M) and in low temperature (80°C). A zeolite material contained in fly ash from hard coal combustion in one of Polish Power Plant was subjected to hydrothermal alkaline synthesis. The phase composition of the ash consisted mainly of glass, mullite, quartz, and hematite. The dominant chemical components of the ash were SiO₂ (over 50%mas.) and Al₂O₃ (more than 28%mas.), whereas the contents of the remaining components, except Fe₂O₃ (6.34%mas.), did not exceed 4% mas. The hydrothermal synthesis of the zeolite material was carried out in the following conditions: 3M-solution of NaOH, synthesis time – 8 hours, 40 kHz-frequency ultrasounds during the first two hours of synthesis. The mineral components of the input ash as well as product after synthesis were identified in microscopic observations, in transmitted light, using X-ray diffraction (XRD) and electron scanning microscopy (SEM/EDS). The chemical composition of the input ash was identified by the method of X-ray fluorescence (XRF). The obtained material apart from phases found in the initial fly ash sample, also contained new phases, i.e., hydrosodalite and NaP-type zeolite. The chemical composition in micro areas of grains indicated their diversity: i) SiO₂ content was in the range 30-59%mas., ii) Al₂O₃ content was in the range 24-35%mas., iii) Na₂O content was in the range 6-15%mas. This clearly indicates that hydrosodalite forms hypertrophies with NaP type zeolite as well as relict grains of fly ash. A small amount of potassium in the examined grains is noteworthy, which may indicate the substitution of sodium with potassium. This is confirmed by the high value of the correlation coefficient between these two components.Keywords: fly ash, hydrosodalite, ultrasounds, zeolite
Procedia PDF Downloads 152318 A Detailed Computational Investigation into Copper Catalyzed Sonogashira Coupling Reaction
Authors: C. Rajalakshmi, Vibin Ipe Thomas
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Sonogashira coupling reactions are widely employed in the synthesis of molecules of biological and pharmaceutical importance. Copper catalyzed Sonogashira coupling reactions are gaining importance owing to the low cost and less toxicity of copper as compared to the palladium catalyst. In the present work, a detailed computational study has been carried out on the Sonogashira coupling reaction between aryl halides and terminal alkynes catalyzed by Copper (I) species with trans-1, 2 Diaminocyclohexane as ligand. All calculations are performed at Density Functional Theory (DFT) level, using the hybrid Becke3LYP functional. Cu and I atoms are described using an effective core potential (LANL2DZ) for the inner electrons and its associated double-ζ basis set for the outer electrons. For all other atoms, 6-311G+* basis set is used. We have identified that the active catalyst species is a neutral 3-coordinate trans-1,2 diaminocyclohexane ligated Cu (I) alkyne complex and found that the oxidative addition and reductive elimination occurs in a single step proceeding through one transition state. This is owing to the ease of reductive elimination involving coupling of Csp2-Csp carbon atoms and the less stable Cu (III) intermediate. This shows the mechanism of copper catalyzed Sonogashira coupling reactions are quite different from those catalyzed by palladium. To gain further insights into the mechanism, substrates containing various functional groups are considered in our study to traverse their effect on the feasibility of the reaction. We have also explored the effect of ligand on the catalytic cycle of the coupling reaction. The theoretical results obtained are in good agreement with the experimental observation. This shows the relevance of a combined theoretical and experimental approach for rationally improving the cross-coupling reaction mechanisms.Keywords: copper catalysed, density functional theory, reaction mechanism, Sonogashira coupling
Procedia PDF Downloads 116317 One-Pot Synthesis of 5-Hydroxymethylfurfural from Hexose Sugar over Chromium Impregnated Zeolite Based Catalyst, Cr/H-ZSM-5
Authors: Samuel K. Degife, Kamal K. Pant, Sapna Jain
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The world´s population and industrialization of countries continued to grow in an alarming rate irrespective of the security for food, energy supply, and pure water availability. As a result, the global energy consumption is observed to increase significantly. Fossil energy resources that mainly comprised of crude oil, coal, and natural gas have been used by mankind as the main energy source for almost two centuries. However, sufficient evidences are revealing that the consumption of fossil resource as transportation fuel emits environmental pollutants such as CO2, NOx, and SOx. These resources are dwindling rapidly besides enormous amount of problems associated such as fluctuation of oil price and instability of oil-rich regions. Biomass is a promising renewable energy candidate to replace fossil-based transportation fuel and chemical production. The present study aims at valorization of hexose sugars (glucose and fructose) using zeolite based catalysts in imidazolium based ionic liquid (1-butyl-3-methylimidazolium chloride, [BMIM] Cl) reaction media. The catalytic effect chromium impregnated H-ZSM-5 (Cr/H-ZSM-5) was studied for dehydration of hexose sugars. The wet impregnation method was used to prepare Cr/H-ZSM-5 catalyst. The characterization of the prepared catalyst was performed using techniques such as Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction analysis (XRD), Temperature-programmed desorption of ammonia (NH3-TPD) and BET-surface area analysis. The dehydration product, 5-hydroxymethylfurfural (5-HMF), was analyzed using high-performance liquid chromatography (HPLC). Cr/H-ZSM-5 was effective in dehydrating fructose with 87% conversion and 55% yield 5-HMF at 180 oC for 30 min of reaction time compared with H-ZSM-5 catalyst which yielded only 31% of 5-HMF at identical reaction condition.Keywords: chromium, hexose, ionic liquid, , zeolite
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