Search results for: organic reaction

Authors: Vinaya Kambappa

Abstract:

Propylphosphonic anhydride (T3P®)-DMSO is used as an efficient and mild reagent for the one-pot synthesis of 3,4-dihydropyrimidin-2(1H)-ones/thiones from aromatic alcohols. Alcohols are oxidized in situ to aldehydes under mild conditions, which in turn undergo a three-component reaction with β-ketoester and urea/thiourea to afford 3,4-dihydropyrimidin-2(1H)-ones/thiones. The synthesis of 3,4-dihydropyrimidin-2(1H)-ones/thiones directly from alcohols has been reported for the first time best to our knowledge, under mild reaction conditions in good yield. The easy work-up procedure, low cost and less toxicity of the reagent are the main advantages of this protocol.

Keywords: β-ketoester, propylphosphonic anhydride, three-component reaction, pyrimidine

Procedia PDF Downloads 124

Authors: Moustafa Odah

Abstract:

Organic Agriculture is a new and sustainable agricultural system that depends on the use of organic materials from within the farm resulting from crop residues and animal husbandry and the cultivation of leguminous crops, away from the use of chemicals in fertilization or pest resistance, which leads to the production of safe, clean and healthy food products with nutritional value high and free of chemicals enhance food security; it is also an agricultural model preserve natural resources by improving the fertility and soil characteristics, and enhance biodiversity and biological cycles; additionally, they preserve the environment from pollution, which makes it play an important role in providing food needs of the present generations and the preservation of the rights of the coming generations to achieve sustainable development.

Keywords: organic agriculture, food security and achieving sustainable development, fertilization or pest resistance, crop residues and animal husbandry and the cultivation of leguminous crops

Procedia PDF Downloads 48

Authors: Zayneb Kthiri, Walid Hamada

Abstract:

The application of organic fertilizers is generally known to be useful to sustain soil fertility and plant growth, especially in poor soils, with less than 1% of organic matter, as it is very common in our Tunisian fields. Therefore, we focused on evaluating the effect of a new released liquid organic fertilizer named Solorga (with 5% of organic matter) compared to a reference product (Espartan: Kimitec, Spain) on tomato plant growth and physiology. Both fertilizers, derived from plant decomposition, were applied at an early stage in hydroponic system and under greenhouse. In hydroponic system, after 14 days of their application by root feeding, a significant difference was observed between treatments. Indeed, Solorga improved shoots and roots length, as well as the biomass respectively, by 45%, 27%, and 27.8% increase rate, while compared to control plants. However, Espartan induced less the measured parameters while compared to untreated control. Moreover, Solorga significantly increased the chlorophyll content by 42% compared to control and by 32% compared to Espartan. In the greenhouse, after 20 days of treatments, the results showed a significant effect of both fertilizers on SPAD index and the number of flowers blossom. Solorga increased the amount of chlorophyll present in the leaf by 7% compared to Espartan as well as the plant height under greenhouse. Moreover, the number of flowers blossom increased by 15% in plants treated with Solorga while compared to Espartan. Whereas, there is no notable difference between both organic fertilizers on the fruits blossom and the number of fruits per blossom. In conclusion, even though there is a difference in the organic matter between both fertilizers, Solorga improved better the plant growth in controlled conditions in hydroponic system while compared to Espartan. Altogether the obtained results are encouraging for the use of Solorga as a soil enriching source of organic matter to help plants to boost their growth and help them to overcome abiotic stresses linked to soil fertility.

Keywords: tomato, plant growth, organic fertilizer, hydroponic system, greenhouse

Procedia PDF Downloads 111

Authors: H. Golchoobian, M. H. Taheri, S. Saedodin, A. Sarafraz

Abstract:

This paper investigates the possibility of using three systems of organic Rankine auxiliary power generation, ejector refrigeration and absorption to recover energy from a diesel car. The analysis is done for both urban and suburban driving modes that vary from 60 to 120 km/h. Various refrigerants have also been used for organic Rankine and Ejector refrigeration cycles. The capacity was evaluated by Organic Rankine Cycle (ORC) system in both urban and suburban conditions for cyclopentane and ammonia as refrigerants. Also, for these two driving plans, produced cooling by absorption refrigeration system under variable ambient temperature conditions and in ejector refrigeration system for R123, R134a and R141b refrigerants were investigated.

Keywords: absorption system, diesel engine, ejector refrigeration, energy recovery, organic Rankine cycle

Procedia PDF Downloads 203

Authors: Jatindra Lahkar

Abstract:

The effect of chemical reaction on laminar mixed convection flow and heat and mass transfer along a vertical unsteady stretching sheet is investigated, in the presence of heat generation/absorption with variable viscosity and viscous dissipation. The governing non-linear partial differential equations are reduced to ordinary differential equations using similarity transformation and solved numerically using the fourth order Runge-Kutta method along with shooting technique. The effects of various flow parameters on the velocity, temperature and concentration distributions are analyzed and presented graphically. Skin-friction coefficient, Nusselt number and Sherwood number are derived at the sheet. It is observed that the influence of chemical reaction, the fluid flow along the sheet accelerate with the increase of chemical reaction parameter, on the other hand, temperature of the fluid increases with increase of chemical reaction parameter but concentration of the fluid reduces with it. The boundary layer decreases on the surface of the sheet for all values of unsteadiness parameter, increasing values of the chemical reaction parameter. The increases in the values of Sc cause the species concentration and its boundary layer thickness to decrease resulting in less induced flow and higher fluid temperatures. This is depicted in the decreases in the velocity and species concentration and increases in the fluid temperature as Sc increases.

Keywords: chemical reaction, heat generation/absorption, magnetic number, unsteadiness, variable viscosity

Procedia PDF Downloads 278

Authors: Mohammadreza Nematollahi, Bahareh Mosadegh Sedghy, Alireza Tajbakhsh

Abstract:

The last two decades have witnessed substantial attention to organic and sustainable agricultural supply chains. Motivated by real-world practices, this paper aims to address two main challenges observed in organic product supply chains: decentralized decision-making process between farmers and their retailers, and competition between organic products and their conventional counterparts. To this aim, an agricultural supply chain consisting of two farmers, a conventional farmer and an organic farmer who offers an organic version of the same product, is considered. Both farmers distribute their products through a single retailer, where there exists competition between the organic and the conventional product. The retailer, as the market leader, sets the wholesale price, and afterward, the farmers set their production quantity decisions. This paper first models the demand functions of the conventional and organic products by incorporating the effect of asymmetric brand equity, which captures the fact that consumers usually pay a premium for organic due to positive perceptions regarding their health and environmental benefits. Then, profit functions with consideration of some characteristics of organic farming, including crop yield gap and organic cost factor, are modeled. Our research also considers both economies and diseconomies of scale in farming production as well as the effects of organic subsidy paid by the government to support organic farming. This paper explores the investigated supply chain in three scenarios: decentralized, centralized, and coordinated decision-making structures. In the decentralized scenario, the conventional and organic farmers and the retailer maximize their own profits individually. In this case, the interaction between the farmers is modeled under the Bertrand competition, while analyzing the interaction between the retailer and farmers under the Stackelberg game structure. In the centralized model, the optimal production strategies are obtained from the entire supply chain perspective. Analytical models are developed to derive closed-form optimal solutions. Moreover, analytical sensitivity analyses are conducted to explore the effects of main parameters like the crop yield gap, organic cost factor, organic subsidy, and percent price premium of the organic product on the farmers’ and retailer’s optimal strategies. Afterward, a coordination scenario is proposed to convince the three supply chain members to shift from the decentralized to centralized decision-making structure. The results indicate that the proposed coordination scenario provides a win-win-win situation for all three members compared to the decentralized model. Moreover, our paper demonstrates that the coordinated model respectively increases and decreases the production and price of organic produce, which in turn motivates the consumption of organic products in the market. Moreover, the proposed coordination model helps the organic farmer better handle the challenges of organic farming, including the additional cost and crop yield gap. Last but not least, our results highlight the active role of the organic subsidy paid by the government as a means of promoting sustainable organic product supply chains. Our paper shows that although the amount of organic subsidy plays a significant role in the production and sales price of organic products, the allocation method of subsidy between the organic farmer and retailer is not of that importance.

Keywords: analytical game-theoretic model, product competition, supply chain coordination, sustainable organic supply chain

Procedia PDF Downloads 83

Authors: Yousef M. Al-Roomi, Kaneez Fatema Hussain

Abstract:

This work evaluates the thermal degradation kinetic parameters of CaSO₄-complex isolated after the inhibition effect of maleic-anhydride based polymer (YMR-polymers). Pyrolysis experiments were carried out at four heating rates (5, 10, 15 and 20°C/min). Several analytical model-free methods were used to determine the kinetic parameters, including Friedman, Coats and Redfern, Kissinger, Flynn-Wall-Ozawa and Kissinger-Akahira–Sunose methods. The Criado model fitting method based on real mechanism followed in thermal degradation of the complex has been applied to explain the degradation mechanism of CaSO₄-complex. In addition, a simple dynamic model was proposed over two temperature ranges for successive decomposition of CaSO₄-complex which has a combination of organic and inorganic part (adsorbed polymer + CaSO₄.2H₂O scale). The model developed enabled the assessment of pre-exponential factor (A) and apparent activation-energy (Eₐ) for both stages independently using a mathematical developed expression based on an integral solution. The unique reaction mechanism approach applied in this study showed that (Eₐ₁-160.5 kJ/mole) for organic decomposition (adsorbed polymer stage-I) has been lower than Eₐ₂-388 kJ/mole for the CaSO₄ decomposition (inorganic stage-II). Further adsorbed YMR-antiscalant not only reduced the decomposition temperature of CaSO₄-complex compared to CaSO₄-blank (CaSO₄.2H₂O scales in the absence of YMR-polymer) but also distorted the crystal lattice of the organic complex of CaSO₄ precipitates, destroying their compact and regular crystal structures observed from XRD and SEM studies.

Keywords: CaSO₄-complex, maleic-anhydride polymers, thermal degradation kinetics and mechanism, XRD and SEM studies

Procedia PDF Downloads 91

Authors: Hoang Thi Quynh, Shima Kazuto

Abstract:

Organic farming is gaining interest in Vietnam. However, organic fertilizer production is not sufficiently regulated, resulting in unknown quality. This study investigated characteristics of so-called organic fertilizers in the Vietnam’s market and their mineralization in soil-plant system. We collected 15 commercial products (11 domestic and 4 imported) which labelled 'organic fertilizer' in the market to analyze nutrients composition. A 20 day-incubation experiment was carried on with 80 g sandy-textured soil, amended with the fertilizer at a rate of 109.4 mgN.kg⁻¹soil in 150 mL glass bottle at 25℃. We categorized them according to nutrients content and mineralization rate, and then selected 8 samples for cultivation experiment. The experiment was conducted by growing Komatsuna (Brassica campestris) in sandy-textured soil using an automatic watering apparatus in a greenhouse. The fertilizers were applied to the top one-third of the soil stratum at a rate of 200 mgN.kg⁻¹ soil. Our study also analyzed material flow of coffee husk compost in Central Highland of Vietnam. Total N, P, K, Ca, Mg and C: N ratio varied greatly cross the domestic products, whereas they were quite similar among the imported materials. The proportion of inorganic-N to T-N of domestic products was higher than 25% in 8 of 11 samples. These indicate that N concentration increased dramatically in most domestic products compared with their raw materials. Additionally, most domestic products contained less P, and their proportions of Truog-P to T-P were greatly different. These imply that some manufactures were interested in adjusting P concentration, but some ones were not. Furthermore, the compost was made by mixing with chemical substances to increase nutrients content (N, P), and also added construction surplus soil to gain weight before packing product to sell in the market as 'organic fertilizer'. There was a negative correlation between C:N ratio and mineralization rate of the fertilizers. There was a significant difference in N efficiency among the fertilizer treatments. N efficiency of most domestic products was higher than chemical fertilizer and imported organic fertilizers. These results suggest regulations on organic fertilizers production needed to support organic farming that is based on internationally accepted standards in Vietnam.

Keywords: inorganic N, mineralization, N efficiency, so-called organic fertilizers, Vietnam’s market

Procedia PDF Downloads 149

Authors: F. Javier Benitez, Juan L. Acero, Francisco J. Real, Elena Rodriguez

Abstract:

Five selected pollutants which are frequently present in waters and wastewaters have been degraded by the advanced oxidation process constituted by UV radiation activated with the additional presence of persulfate (UV/PS). These pollutants were 1H-benzotriazole (BZ), N,N-diethyl-m-toluamide or DEET (DT), chlorophene (CP), 3-methylindole (ML), and nortriptyline hydrochloride (NH).While UV radiation alone almost not degraded these substances, the addition of PS generated the very reactive and oxidizing sulfate radical SO₄⁻. The kinetic study provided the second order rate constants for the reaction between this radical and each pollutant. An increasing dose of PS led to an increase in the degradation rate, being the highest results obtained at near neutral pH. Several water matrices were tested, and the presence of bicarbonate showed different effects: a decrease in the elimination of DT, BZ, and NH; and an increase in the oxidation of CP and ML. The additional presence of humic acids (AH) decreased this degradation, because of several effects: light screening and radical scavenging. The presence of several natural substances in waters (both types, inorganic and organic matter) usually diminishes the oxidation rates of organic pollutants, but this combination UV/PS process seems to be an efficient solution for the removal of the selected contaminants when are present in contaminated waters.

Keywords: water purification, UV activated persulfate, kinetic study, sulfate radicals

Procedia PDF Downloads 101

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

Abstract:

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

Keywords: heterogeneous catalysis, photodegradation, reactive oxygen species, TiO₂ nanowires

Procedia PDF Downloads 103

Authors: Neeraj Kumar Mishra, In Su Kim

Abstract:

The isoindoline, indazole and indole heterocycles are ubiquitous structural motif found in heterocyclic compounds as they exhibit biological and medicinal applications. For example, isoindoline motif is present in molecules that act as endothelin-A receptor antagonists and dipeptidyl peptidase inhibitors. Moreover, isoindoline derivatives are very crucial constituents in the field of materials science as attractive candidates for organic light-emitting devices. However, compounds containing the indazole motif are known to exhibit to a variety of biological activities, such as estrogen receptor, HIV protease inhibition and anti-tumor activity. The prevalence of indazoles and indoles has led to the development of many useful methods for their preparation. Thus, isoindoline, indazole and indole heterocycles can be new candidates for the next generation of pharmaceuticals. Therefore, the development of highly efficient strategies for the formation of these heterocyclic architectures is an area of great interest in organic synthesis. The past years, transition-metal-catalyzed C−H activation followed by annulation reaction has been frequently used as a powerful tool to construct various heterocycles. Herein, we describe our recent achievements about the transition-metal-catalyzed tandem cyclization reactions of N-benzyltriflamides, 1,2-disubstituted arylhydrazines, acetanilides, etc. via C−H bond activation to access the corresponding bioactive heterocylic scaffolds.

Keywords: biologically active, C-H activation, heterocyclic compounds, transition-metal catalysts

Procedia PDF Downloads 267

Authors: Ma Lanting, S. Eguilior, A. Hurtado, Juan F. Llamas Borrajo

Abstract:

Horizontal hydraulic fracturing is a technology to increase natural gas flow and improve productivity in the low permeability formation. During this drilling operation tons of flowback and produced water which contains many organic compounds return to the surface with a potential risk of influencing the surrounding environment and human health. A mathematical model is urgently needed to represent organic compounds in water transportation process behavior and the concentration change with time throughout the hydraulic fracturing operation life cycle. A comprehensive model combined Organic Matter Transport Dynamic Model with Two-Compartment First-order Model Constant (TFRC) Model has been established to quantify the organic compounds concentration. This algorithm model is composed of two transportation parts based on time factor. For the fast part, the curve fitting technique is applied using flowback water data from the Marcellus shale gas site fracturing and the coefficients of determination (R2) from all analyzed compounds demonstrate a high experimental feasibility of this numerical model. Furthermore, along a decade of drilling the concentration ratio curves have been estimated by the slow part of this model. The result shows that the larger value of Koc in chemicals, the later maximum concentration in water will reach, as well as all the maximum concentrations percentage would reach up to 90% of initial concentration from shale formation within a long sufficient period.

Keywords: model, shale gas, concentration, organic compounds

Procedia PDF Downloads 200

Authors: Seyed Abolhasan Naeini, Mohammad Hossein Zade

Abstract:

This article is an attempt to present a numerically study of the behaviour of an eccentrically loaded circular footing resting on sand to determine ‎its ultimate bearing capacity. A surface circular footing of diameter 12 cm (D) was used as ‎shallow foundation. For this purpose, three dimensional models consist of foundation, and medium sandy soil was modelled by ABAQUS software. Bearing capacity of footing was evaluated and the ‎effects of the load eccentricity on bearing capacity, its settlement, and modulus of subgrade reaction were studied. Three different values of load eccentricity with equal space from inside the core on the core boundary and outside the core boundary, which were respectively e=0.75, 1.5, and 2.25 cm, were considered. The results show that by increasing the load eccentricity, the ultimate load and the ‎modulus of subgrade reaction decreased.

Keywords: circular foundation, sand, eccentric loading, modulus of subgrade reaction

Procedia PDF Downloads 319

Authors: Anton Serov, Alan Maslani, Michal Hlina, Vladimir Kopecky, Milan Hrabovsky

Abstract:

Recycling of organic waste is an increasingly hot topic in recent years. This issue becomes even more interesting if the raw material for the fuel production can be obtained as the result of that recycling. A process of high-temperature decomposition of a lignite (a non-hydrolysable complex organic compound) was studied on the plasma gasification reactor PLASGAS, where water-stabilized plasma torch was used as a source of high enthalpy plasma. The plasma torch power was 120 kW and allowed heating of the reactor to more than 1000 °C. The material feeding rate in the gasification reactor was selected 30 and 60 kg per hour that could be compared with small industrial production. An efficiency estimation of the thermal decomposition process was done. A balance of the torch energy distribution was studied as well as an influence of the lignite particle size and an addition of methane (CH4) in a reaction volume on the syngas composition (H2+CO). It was found that the ratio H2:CO had values in the range of 1,5 to 2,5 depending on the experimental conditions. The recycling process occurred at atmospheric pressure that was one of the important benefits because of the lack of expensive vacuum pump systems. The work was supported by the Grant Agency of the Czech Republic under the project GA15-19444S.

Keywords: atmospheric pressure, lignite, plasma treatment, water-stabilized plasma torch

Procedia PDF Downloads 333

Authors: Pu Ying-Chih, Yang Yin-Ju, Hang Jian-Yi, Jang Guang-Way

Abstract:

Organic-Inorganic hybrid materials consisting of graded distributions of inorganic nano particles in organic polymer matrices were successfully prepared by the sol-gel process. Optical and surface properties of the resulting nano composites can be manipulated by changing their compositions and nano particle distribution gradients. Applications of gradient nano composite materials include sealants for LED packaging and screen lenses for smartphones. Optical transparency, prism coupler, TEM, SEM, Energy Dispersive X-ray Spectrometer (EDX), Izod impact strength, conductivity, pencil hardness, and thermogravimetric characterizations of the nano composites were performed and the results will be presented.

Keywords: Gradient, Hybrid, Nanocomposite, Organic-Inorganic

Procedia PDF Downloads 477

Authors: Fatiha Benghanem, Mokhtar Berarma, Saida Keraghel, Ali Ourari

Abstract:

Corrosion is the result of the reaction between a material and its environment. Steel in concrete is protected from corrosion by a passive film promoted by concrete alkalinity. For the initiation of corrosion, this protective film must be destroyed and this can be mainly done in two ways: by the attack of chlorides on the steel or by carbonation of the cover concrete due the reaction with carbon dioxide, which causes reduction in the alkalinity of concrete. The literature reports several ways to decrease or to prevent reinforcement corrosion. Among them, the use of corrosion inhibitors has been an envisaged solution. Two approaches are generally used to evaluate the efficiency of inhibitors for concrete application; one uses simulated pore solution testing , and the other uses actual concrete or mortar specimens. Both methods are some times used in conjunction. The aim of this study is to investigate the use of 2,3-diaminopyridine as a corrosion inhibitors of steel in alkaline media which simulate the electrolyte in the concrete pores. The effectiveness of this compound as corrosion inhibitor was investigated by measuring the corrosion potentials, the polarization curves and the corrosion current densities of steel with and without chlorides. The study of corrosion inhibition by this compound led to the conclusion that he has low rates of inhibition in the absence of aggressive ions and high rates in their presence. This type of organic compounds are promoting for the protection of armatures in concrete.

Keywords: corrosion, inhibitors, mild steel, conjunction

Procedia PDF Downloads 405

Authors: Chetna Mohabeer, Luis Reyes, Lokmane Abdelouahed, Bechara Taouk

Abstract:

In the transition to sustainability and the increasing use of renewable energy, hydrogen will play a key role as an energy carrier. Biomass has the potential to accelerate the realization of hydrogen as a major fuel of the future. Pyro-gasification allows the conversion of organic matter mainly into synthesis gas, or “syngas”, majorly constituted by CO, H2, CH4, and CO2. A second, condensable fraction of biomass pyro-gasification products are “tars”. Under certain conditions, tars may decompose into hydrogen and other light hydrocarbons. These conditions include two types of cracking: homogeneous cracking, where tars decompose under the effect of temperature ( > 1000 °C), and heterogeneous cracking, where catalysts such as olivine, dolomite or biochar are used. The latter process favors cracking of tars at temperatures close to pyro-gasification temperatures (~ 850 °C). Pyro-gasification of biomass coupled with water-gas shift is the most widely practiced process route for biomass to hydrogen today. In this work, an innovating solution will be proposed for this conversion route, in that all the pyro-gasification products, not only methane, will undergo processes that aim to optimize hydrogen production. First, a heterogeneous cracking step was included in the reaction scheme, using biochar (remaining solid from the pyro-gasification reaction) as catalyst and CO2 and H2O as gasifying agents. This process was followed by a catalytic steam methane reforming (SMR) step. For this, a Ni-based catalyst was tested under different reaction conditions to optimize H2 yield. Finally, a water-gas shift (WGS) reaction step with a Fe-based catalyst was added to optimize the H2 yield from CO. The reactor used for cracking was a fluidized bed reactor, and the one used for SMR and WGS was a fixed bed reactor. The gaseous products were analyzed continuously using a µ-GC (Fusion PN 074-594-P1F). With biochar as bed material, it was seen that more H2 was obtained with steam as a gasifying agent (32 mol. % vs. 15 mol. % with CO2 at 900 °C). CO and CH4 productions were also higher with steam than with CO2. Steam as gasifying agent and biochar as bed material were hence deemed efficient parameters for the first step. Among all parameters tested, CH4 conversions approaching 100 % were obtained from SMR reactions using Ni/γ-Al2O3 as a catalyst, 800 °C, and a steam/methane ratio of 5. This gave rise to about 45 mol % H2. Experiments about WGS reaction are currently being conducted. At the end of this phase, the four reactions are performed consecutively, and the results analyzed. The final aim is the development of a global kinetic model of the whole system in a multi-stage fluidized bed reactor that can be transferred on ASPEN PlusTM.

Keywords: multi-staged fluidized bed reactor, pyro-gasification, steam methane reforming, water-gas shift

Procedia PDF Downloads 104

Authors: Esteban Hincapie

Abstract:

The growing climate change, global warming and population growth have contributed to the energy crisis, aggravated by the generation of organic solid waste, as a material with high energy potential. From the context of waste generation in the Metropolitan Area of the Aburrá Valley, was evaluated the potential of energy content in organic solid waste generated in La Herradura housing complex, through anaerobic digestion process in batch reactors, with mixtures of substrate, water and inoculum 1: 3: 0.2 and 1: 3: 0, reaching a total biogas production of 0,2 m³/Kg y 0,14 m³/Kg respectively, in a period of 38 days under temperature conditions of 24°C. The volume of biogas obtained was equivalent to the monthly consumption of natural gas for 75 apartments or 1.856 Kw of electric power. For the Metropolitan Area of the Aburrá Valley, a production of 7.152Kw of electric power was estimated for a month, from the treatment of 22.319 tons of organic solid waste that would not be taken to the landfill. The results indicate that the treatment of organic waste from anaerobic digestion is a sustainable option to reduce pollution, contribute to the production of alternative energies and improve the efficiency of urban metabolism.

Keywords: alternative energies, anaerobic digestion, solid waste, sustainable construction, urban metabolism, waste management

Procedia PDF Downloads 137

Authors: Karim Hrratha, Khaled Essalahb, Christophe Morellc, Henry Chermettec, Salima Boughdiria

Abstract:

Among the carbon-carbon bond formation types, allylation of active methylene compounds with cyclic Baylis-Hillman (BH) alcohols is a reliable and widely used method. This reaction is a very attractive tool in organic synthesis of biological and biodiesel compounds. Thus, in view of an insistent and peremptory request for an efficient and straightly method for synthesizing the desired product, a thorough analysis of various aspects of the reaction processes is an important task. The product afforded by the reaction of active methylene with BH alcohols depends largely on the experimental conditions, notably on the catalyst properties. All experiments reported that catalysis is needed for this reaction type because of the poor ability of alcohol hydroxyl group to be as a suitable leaving group. Within the catalysts, several transition- metal based have been used such as palladium in the presence of acid or base and have been considered as reliable methods. Furthemore, acid catalysts such as BF3.OEt2, BiX3 (X= Cl, Br, I, (OTf)3), InCl3, Yb(OTf)3, FeCl3, p-TsOH and H-montmorillonite have been employed to activate the C-C bond formation through the alkylation of active methylene compounds. Interestingly a report of a smoothly process for the ability of 4-imethyaminopyridine(DMAP) to catalyze the allylation reaction of active methylene compounds with cyclic Baylis-Hillman (BH) alcohol appeared recently. However, the reaction mechanism remains ambiguous, since the C- allylation process leads to an unexpected product (noted P1), corresponding to a direct allylation instead of conjugate allylation, which involves the most electrophilic center according to the electron withdrawing group CO effect. The main objective of the present theoretical study is to better understand the role of the DMAP catalytic activity as well as the process leading to the end- product (P1) for the catalytic reaction of a cyclic BH alcohol with active methylene compounds. For that purpose, we have carried out computations of a set of active methylene compounds varying by R1 and R2 toward the same alcohol, and we have attempted to rationalize the mechanisms thanks to the acid–base approach, and conceptual DFT tools such as chemical potential, hardness, Fukui functions, electrophilicity index and dual descriptor, as these approaches have shown a good prediction of reactions products.The present work is then organized as follows: In a first part some computational details will be given, introducing the reactivity indexes used in the present work, then Section 3 is dedicated to the discussion of the prediction of the selectivity and regioselectivity. The paper ends with some concluding remarks. In this work, we have shown, through DFT method at the B3LYP/6-311++G(d,p) level of theory that: The allylation of active methylene compounds with cyclic BH alcohol is governed by orbital control character. Hence the end- product denoted P1 is generated by direct allylation.

Keywords: DFT calculation, gas phase pKa, theoretical mechanism, orbital control, charge control, Fukui function, transition state

Procedia PDF Downloads 257

Authors: Ujjawal Kumar Bhagat, Kamaluddin, Rama Krishna Peddinti

Abstract:

The Huisgen’s 1,3-dipolar [3+2] cycloaddition of organic azides and alkynes often give the mixtures of both the regioisomers 1,4- and 1,5- disubstituted 1,2,3-triazoles. Later, in presence of metal salts (click chemistry) such as copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) was used for the synthesis of 1,4-disubstituted 1,2,3-triazoles as a sole products regioselectively. Also, the ‘click reactions’ of Ruthenium-catalyzed azides-alkynes cycloaddition (RuAAC) is used for the synthesis of 1,5-disubstituted 1,2,3-triazoles as a single isomer. The synthesis of 1,4- and 1.5-disubstituted 1,2,3-triazoles has become the gold standard of ‘click chemistry’ due to its reliability, specificity, and biocompatibility. The 1,4- and 1,5-disubstituted 1,2,3-triazoles have emerged as one of the most powerful entities in the varieties of biological properties like antibacterial, antitubercular, antitumor, antifungal and antiprotozoal activities. Some of the 1,4,5-trisubstituted 1,2,3-triazoles exhibit Hsp90 inhibiting properties. The 1,4-disubstituted 1,2,3-triazoles also play a big role in the area of material sciences. The triazole-derived oligomeric, polymeric structures are the potential materials for the preparation of organic optoelectronics, silicon elastomers and unimolecular block copolymers. By the virtue of hydrogen bonding and dipole interactions, the 1,2,3-triazole moiety readily associates with the biological targets. Since, the 4-aryl-1H-1,2,3-triazoles are stable entities, they are chemically robust and very less reactive. In this regard, the addition of 4-aryl-1H-1,2,3-triazoles as nucleophiles to α,β-unsaturated carbonyls and nucleophilic substitution with the epoxides constitutes a powerful and challenging synthetic approach for the generation of disubstituted 1,2,3-triazoles. Herein, we have developed aza-Michael addition of 4-aryl-1H-1,2,3-triazoles to 2-cycloalken-1-ones in the presence of an organic base (DABCO) in acetonotrile solvent leading to the formation of disubstituted 1,2,3-triazoles. The reaction provides 1,4-disubstituted triazoles, 3-(4-aryl-1H-1,2,3-triazol-1-yl)cycloalkanones in major amount along with 1,5-disubstituted 1,2,3-triazoles, minor regioisomers with excellent combined chemical yields (upto99%). The nucleophilic behavior of 4-aryl-1H-1,2,3-triazoles was also tested in the ring opening of meso-epoxides in the presence of organic bases (DABCO/Et3N) in acetonotrile solvent furnishing the two regioisomers1,4- and 1,5-disubstituted 1,2,3-triazoles. Thus, the novelty of this methodology is synthesis of diversified disubstituted 1,2,3-triazoles under metal free condition.The results will be presented in detail.

Keywords: aza-Michael addition, cycloalkenones, epoxides, triazoles

Procedia PDF Downloads 292

Authors: Yingqian Chen, Sergei Manzhos

Abstract:

Organic electrodes are a way to achieve high rate (high power) and environment-friendly batteries. We present a computational density functional theory study of Li and Na storage in tetracyanoethylene based molecular and crystalline materials. Up to five Li and Na atoms can be stored on TCNE chemisorbed on doped graphene (corresponding to ~1000 mAh/gTCNE), with binding energies stronger than cohesive energies of the Li and Na metals by 1-2 eV. TCNE has been experimentally shown to form a crystalline material with Li with stoichiometry Li-TCNE. We confirm this computationally and also predict that a similar crystal based of Na-TCNE is also stable. These crystalline materials have well defined channels for facile Li or Na ion insertion and diffusion. Specifically, Li and Na binding energies in Li-TCNE and Na-TCNE crystals are about 1.5 eV and stronger than the cohesive energy of Li and Na, respectively. TCNE immobilized on conducting graphene-based substrates and Li/Na-TCNE crystals could therefore become efficient anode materials for organic Li and Na ion batteries, with which it should also be possible to avoid reduction of common battery electrolytes.

Keywords: organic ion batteries, tetracyanoethylene, cohesive energies, electrolytes

Procedia PDF Downloads 604

Authors: J. Bolobajev, M. Trapido, A. Goi

Abstract:

The practical application of the Fenton-based treatment method for organic compounds-contaminated water purification is limited mainly because of the large amount of ferric sludge formed during the treatment, where ferrous iron (Fe(II)) is used as the activator of the hydrogen peroxide oxidation processes. Reuse of ferric sludge collected from clarifiers to substitute Fe(II) salts allows reducing the total cost of Fenton-type treatment technologies and minimizing the accumulation of hazardous ferric waste. Dissolution of ferric iron (Fe(III)) from the sludge to liquid phase at acidic pH and autocatalytic transformation of Fe(III) to Fe(II) by phenolic compounds (tannic acid, lignin, phenol, catechol, pyrogallol and hydroquinone) added or present as water/wastewater constituents were found to be essentially involved in the Fenton-based oxidation mechanism. Observed enhanced formation of highly reactive species, hydroxyl radicals, resulted in a substantial organic contaminant degradation increase. Sludge reuse at acidic pH and in the presence of ferric iron reductants is a novel strategy in the Fenton-based treatment application for organic compounds-contaminated water purification.

Keywords: ferric sludge recycling, ferric iron reductant, water treatment, organic pollutant

Procedia PDF Downloads 265

Authors: K. Fraňa, M. Müller

Abstract:

A presentation of the design of the Organic Rankine Cycle (ORC) with heat regeneration and super-heating processes is a subject of this paper. The maximum temperature level in the ORC is considered to be 110°C and the maximum pressure varies up to 2.5MPa. The selection process of the appropriate working fluids, thermal design and calculation of the cycle and its components are described. With respect to the safety, toxicity, flammability, price and thermal cycle efficiency, the working fluid selected is R134a. As a particular example, the thermal design of the condenser used for the ORC engine with a theoretical thermal power of 179 kW was introduced. The minimal heat transfer area for a completed condensation was determined to be approximately 520m2.

Keywords: organic rankine cycle, thermal efficiency, working fluids, environmental engineering

Procedia PDF Downloads 431

Authors: Touil Djamal, Fergani Zineb

Abstract:

In this study, an Organic Rankine Cycle (ORC) with Cyclohexane working fluid is proposed for cogeneration in the cement industry. In this regard: first, a parametric study is conducted to evaluate the effects of some key parameters on the system performances. Next, single and multi-objective optimizations are performed to achieve the system optimal design. The optimization considers the exergy efficiency, the cost per exergy unit and the environmental impact of the net produced power as objective functions. Finally, exergy, exergoeconomic and exergoenvironmental analysis of the cycle is carried out at the optimum operating conditions. The results show that the turbine inlet pressure, the pinch point temperature difference and the heat transfer fluid temperature have significant effects on the performances of the ORC system.

Keywords: organic rankine cycle, multi-objective optimization, exergy, exergoeconomic, exergoenvironmental, multi-objective optimisation, organic rankine cycle, cement plant

Procedia PDF Downloads 248

Authors: Ying Weiyong

Abstract:

The micro/mesoporous core-shell composites compromising SSZ-13 cores and mesoporous silica shells were synthesized successfully with the soft template of cetytrimethylammonium. The shell thickness could be tuned from 25 nm to 100 nm by varying the TEOS/SSZ-13 ratio. The BET and SEM results show the core-shell composites possessing the tunable surface area (544.7-811.0 m2/g) with plenty of mesopores (2.7 nm). The acidity intensity of the strong acid sites on SSZ-13 was remarkably impaired with the decoration of the mesoporous silica shell, which leads to the suppression of the hydrogen transfer reaction in MTO reaction. The micro/mesoporous core-shell composites exhibit better methanol to olefins reaction performance with a prolonged lifetime and the improvement of light olefins selectivity.

Keywords: core-shell, mesoporous silica, methanol to olefins, SSZ-13

Procedia PDF Downloads 115

Authors: Mahboobeh Mohadeszadeh, Majid Saghi

Abstract:

Polyoxometalates (POMs) are important inorganic compounds that have been considered specifically in recent years due to abundant attributes and applications. Those POMs that have one central tetrahedral atom called keggin. The binding Amino-acid groups to keggin structure give the antivirus effect to these compounds. A new organic-inorganic hybrid structure, with formula (Gly)2H4SiW12O40 was synthesized. Investigation on Anti-viral effect of this compound showed the (Gly)2H4SiW12O40 prevents infection of Tobacco Mosaic Virus (TMV) on the Nicotianatabacum plants.

Keywords: Polyoxometalate, Keggin, Organic-inorganic salt, TMV

Procedia PDF Downloads 262

Authors: Mahboobeh Mohadeszadeh, Majid Saghi

Abstract:

Polyoxometalates (POMs) are important inorganic compounds that have been considered specifically in recent years due to abundant attributes and applications. Those POMs that have one central tetrahedral atom called keggin. The binding Amino-acid groups to keggin structure give the antivirus effect to these compounds. A new organic-inorganic hybrid structure, with formula (Gly)2H4SiW12O40 was synthesized. Investigation on Anti-viral effect of this compound showed the (Gly)2H4SiW12O40 prevents infection of Tobacco Mosaic Virus (TMV) on the Nicotianatabacum plants.

Keywords: polyoxometalate, keggin, organic-inorganic salt, TMV

Procedia PDF Downloads 393

Authors: Y. M. Aiyesimi, S. O. Abah, G. T. Okedayo

Abstract:

A general analysis has been developed to study the chemical reaction effects on unsteady MHD double-diffusive free convective flow over a vertical stretching plate. The governing nonlinear partial differential equations have been reduced to the coupled nonlinear ordinary differential equations by the similarity transformations. The resulting equations are solved numerically by using Runge-Kutta shooting technique. The effects of the chemical parameters are examined on the velocity, temperature and concentration profiles.

Keywords: chemical reaction, MHD, double-diffusive, stretching plate

Procedia PDF Downloads 379

Authors: Sadao Araki, Daisuke Gondo, Satoshi Imasaka, Hideki Yamamoto

Abstract:

The separation of organic compounds from aqueous solutions is a key technology for recycling valuable organic compounds and for the treatment of wastewater. The wastewater from chemical plants often contains organic compounds such as ethyl acetate (EA), methylethyl ketone (MEK) and isopropyl alcohol (IPA). In this study, we prepared hydrophobic silica membranes by a sol-gel method. We used phenyltrimethoxysilane (PhTMS), ethyltrimethoxysilan (ETMS), Propyltrimethoxysilane (PrTMS), N-butyltrimethoxysilane (BTMS), N-Hexyltrimethoxysilane (HTMS) as silica sources to introduce each functional groups on the membrane surface. Cetyltrimethyl ammonium bromide (CTAB) was used as a molecular template to create suitable pore that enable the permeation of organic compounds. These membranes with five different functional groups were characterized by SEM, FT-IR, and permporometry. Thicknesses and pore diameters of silica layer for all membrane were about 1.0 μm and about 1 nm, respectively. In other words, functional groups had an insignificant effect on the membrane thicknesses and the formation of the pore by CTAB. We confirmed the effect of functional groups on the flux and separation factor for ethyl acetate (EA), methyl ethyl ketone, acetone and 1-butanol (1-BtOH) /water mixtures. All membranes showed a high flux for ethyl acetate compared with other compounds. In particular, the hydrophobic silica membrane prepared by using BTMS showed 0.75 kg m-2 h-1 of flux for EA. For all membranes, the fluxes of organic compounds showed the large values in the order corresponding to EA > MEK > acetone > 1-BtOH. On the other hand, carbon chain length of functional groups among ETMS, PrTMS, BTMS, PrTMS and HTMS did not have a major effect on the organic flux. Although we confirmed the relationship between organic fluxes and organic molecular diameters or fugacity of organic compounds, these factors had a low correlation with organic fluxes. It is considered that these factors affect the diffusivity. Generally, permeation through membranes is based on the diffusivity and solubility. Therefore, it is deemed that organic fluxes through these hydrophobic membranes are strongly influenced by solubility. We tried to estimate the organic fluxes by Hansen solubility parameter (HSP). HSP, which is based on the cohesion energy per molar volume and is composed of dispersion forces (δd), intermolecular dipole interactions (δp), and hydrogen-bonding interactions (δh), has recently attracted attention as a means for evaluating the resolution and aggregation behavior. Evaluation of solubility for two substances can be represented by using the Ra [(MPa)1/2] value, meaning the distance of HSPs for both of substances. A smaller Ra value means a higher solubility for each substance. On the other hand, it can be estimated that the substances with large Ra value show low solubility. We established the correlation equation, which was based on Ra, of organic flux at low concentrations of organic compounds and at 295-325 K.

Keywords: hydrophobic, membrane, Hansen solubility parameter, functional group

Procedia PDF Downloads 338

Authors: Tafadzwa Makonese, Harold Annegarn, Patricia Forbes

Abstract:

Residential coal combustion is one of the largest sources of carbonaceous aerosols in the Highveld region of South Africa, significantly affecting the local and regional climate. In this study, we investigated single coal burning particles emitted when using different fire-ignition techniques (top-lit up-draft vs bottom-lit up-draft) and air ventilation rates (defined by the number of air holes above and below the fire grate) in selected informal braziers. Aerosol samples were collected on nucleopore filters at the SeTAR Centre Laboratory, University of Johannesburg. Individual particles (~700) were investigated using a scanning electron microscope equipped with an energy-dispersive X-ray spectroscopy (EDS). Two distinct forms of spherical organic particles (SOPs) were identified, one less oxidized than the other. The particles were further classified into "electronically" dark and bright, according to China et al. [2014]. EDS analysis showed that 70% of the dark spherical organic particles balls had higher (~60%) relative oxygen content than in the bright SOPs. We quantify the morphology of spherical organic particles and classify them into four categories: ~50% are bare single particles; ~35% particles are aggregated and form diffusion accretion chains; 10% have inclusions; and 5% are deformed due to impaction on filter material during sampling. We conclude that there are two distinct kinds of coal burning spherical organic particles and that dark SOPs are less volatile than bright SOPs. We also show that these spherical organic particles are similar in nature and characteristics to tar balls observed in biomass combustion, and that they have the potential to absorb sunlight thereby affecting the earth’s radiative budget and climate. This study provides insights on the mixing states, morphology, and possible formation mechanisms of these organic particles from residential coal combustion in informal stoves.

Keywords: spherical organic particles, residential coal combustion, fixed-bed, aerosols, morphology, stoves

Procedia PDF Downloads 437