Search results for: carbon monoxide-releasing molecule

Authors: Mario Gómez, José Carlos Rodríguez

Abstract:

This paper analyzes the Environmental Kuznets Curve (EKC) hypothesis to test the causality relationship between economic activity, trade openness and carbon dioxide emissions in Mexico (1971-2011). The results achieved in this research show that there are three long-run relationships between production, trade openness, energy consumption and carbon dioxide emissions. The EKC hypothesis was not verified in this research. Indeed, it was found evidence of a short-term unidirectional causality from GDP and GDP squared to carbon dioxide emissions, from GDP, GDP squared and TO to EC, and bidirectional causality between TO and GDP. Finally, it was found evidence of long-term unidirectional causality from all variables to carbon emissions. These results suggest that a reduction in energy consumption, economic activity, or an increase in trade openness would reduce pollution.

Keywords: causality, cointegration, energy consumption, economic growth, environmental Kuznets curve

Procedia PDF Downloads 324

Authors: Shreya Sara Ittycheria, K. C. Sivakumar, Shijulal Nelson Sathi, Priya Srinivas

Abstract:

hCG, a heterodimer composed of α and β subunits, is a peptide hormone having numerous biological functions. Although hCG is expressed by placenta during pregnancy, ectopic β-hCG secretion is observed in many non-trophoblastic tumors including that of breast. In-vitro and in-vivo studies done in the lab, have proved that BRCA1 defective cancers express β-hCG and when β-hCG is expressed or supplemented, it promotes tumor progression and exhibits resistance to carboplatin and ABT888, in such cancers but not in BRCA1 wild type cancers. In cancer cells, instead of binding to its regular receptor, LH-CGR, β-hCG binds with Transforming Growth Factor Receptor 2 (TGFβRII) and phosphorylates it resulting in faster tumor progression through the Smad signaling pathway. Targeting β-hCG could be a potential therapeutic strategy for managing BRCA1 defective cancers. Here, molecular docking and dynamic simulation studies were done to identify potential small molecule inhibitors against β-hCG as there are currently no such inhibitors reported. The binding sites of TGFβRII on β-hCG were identified from the top 10 predicted complexes from Z Dock. Virtual screening of selected commercially available small molecules from various libraries such as ZINC, NCI and Life Chemicals amounting to a total of 50,025 molecules were done. Four potential small molecule inhibitors were identified, RgcbPs-1, RgcbPs-2, RgcbPs-3 and RgcbPs-4 with binding affinities -60.778 kcal/mol, -45.447 kcal/mol, -65.2268 kcal/mol and -82.040 kcal/mol respectively. Further, 100ns Molecular Dynamics (MD) simulation showed that these molecules form stable complexes with β-hCG. RgcbPs-1 maintains hydrogen bonds with Q54, L52, Q46, C100, G36, C57, C38 residues, RgcbPs-2 maintains hydrogen bonds with A83 residue, RgcbPs-3 maintains hydrogen bonds with C57, Y58, R94, G101 residues and RgcbPs-4 maintains hydrogen bonds with G36, C38, T40, C57, D99, C100, G101 and L104 residues of β-hCG all of which coincide with the TGFβRII binding site on β-hCG. These results show that these two inhibitors could be used either singly or in combination for inhibiting β-hCG from binding to TGFβRII and thereby directly inhibiting the tumorigenesis pathway.

Keywords: β-hCG, breast cancer, dynamic simulations, molecular docking, small molecule inhibitors, virtual screening.

Procedia PDF Downloads 70

Authors: Yoonah Lee, Richard Kyung

Abstract:

With technological advances in the computational biomedical field, the ability to measure neurotransmitters’ chemical imbalances that affect depression and anxiety has been established. By comparing the thermodynamics stability of amino acid supplements, such as glutamine, tyrosine, phe-nylalanine, and methionine, this research analyzes mood-regulating neurotransmitters, amino acid supplements, and antipsychotic substances (ie. Reserpine molecule and CRF complexes) in relation to depression and anxiety and suggests alternative complexes that are low in energy to act as more efficient treatments for mood disorders. To determine a molecule’s thermodynamic stability, this research examines the molecular energy using Avogadro, a software for building virtual molecules and calculating optimized geometry using GAFF (General Amber Force Field) and UFF (Universal Force Field). The molecules, built using Avogadro, is analyzed using their theoretical values and atomic properties.

Keywords: amino acids, anxiety, depression, neurotransmitters

Procedia PDF Downloads 142

Authors: Jyoti Bharj, Sarabjit Singh, Subhash Chander, Rabinder Singh

Abstract:

The outstanding mechanical properties of Carbon Nanotubes (CNTs) have generated great interest for their potential as reinforcements in high performance cementitious composites. The main challenge in research is the proper dispersion of carbon nanotubes in the cement matrix. The present work discusses the role of dispersion of Multiwall Carbon Nanotubes (MWCNTs) on the compressive strength characteristics of hydrated Portland IS 1489 cement paste. Cement-MWCNT composites with different mixing techniques were prepared by adding 0.2% (by weight) of MWCNTs to Portland IS 1489 cement. Rectangle specimens of size approximately 40mm × 40mm ×160mm were prepared and curing of samples was done for 7, 14, 28, and 35 days. An appreciable increase in compressive strength with both techniques; mixture of MWCNTs with cement in powder form and mixture of MWCNTs with cement in hydrated form 7 to 28 days of curing time for all the samples was observed.

Keywords: carbon nanotubes, Portland cement, composite, compressive strength

Procedia PDF Downloads 398

Authors: R. Niranchana, K. Meena Alias Jeyanthi

Abstract:

As a result of the present climate change dilemma, the energy balancing strategy is to construct a sustainable environment has become a top concern for researchers worldwide. The environment itself has always been a solution from the earliest days of human evolution. Carbon capture begins with its accurate estimation and monitoring credit inventories, and its efficient use. Sustainable urban planning with deliverables of re-use energy models might benefit from assessment methods like biomass carbon credit ranking. The term "biomass energy" refers to the various ways in which living organisms can potentially be converted into a source of energy. The approaches that can be applied to biomass and an algorithm for evaluating carbon credits are presented in this paper. The micro-climate evaluation using Computational Fluid dynamics was carried out across the location (1 km x1 km) at Dindigul, India (10°24'58.68" North, 77°54.1.80 East). Sustainable Urban design must be carried out considering environmental and physiological convection, conduction, radiation and evaporative heat exchange due to proceeding solar access and wind intensities.

Keywords: biomass, climate assessment, urban planning, multi-regression, carbon estimation algorithm

Procedia PDF Downloads 54

Authors: P. P. Woyciechowski

Abstract:

Calculation of the carbon footprint of cement concrete is a complex process including consideration of the phase of primary life (components and concrete production processes, transportation, construction works, maintenance of concrete structures) and secondary life, including demolition and recycling. Taking into consideration the effect of concrete carbonation can lead to a reduction in the calculated carbon footprint of concrete. In this paper, an example of CO₂ balance for small bridge elements made of Portland cement reinforced concrete was done. The results include the effect of carbonation of concrete in a structure and of concrete rubble after demolition. It was shown that important impact of carbonation on the balance is possible only when rubble carbonation is possible. It was related to the fact that only the sequestration potential in the secondary phase of concrete life has significant value.

Keywords: carbon footprint, balance of carbon dioxide in nature, concrete carbonation, the sequestration potential of concrete

Procedia PDF Downloads 195

Authors: A. Bahadoran, M. Zomorodian

Abstract:

The synthesizer of cobalt oxide nanoballs (length 3−4 μm, width 250−400 nm) was achieved by a simple high-temperature supercritical solution method. Multiwalled carbon aerogels are a step towards high-density nanometer-scale nanostructures. Cobalt oxide nanoballs were prepared by supercritical solution method. Synthesis in an aqueous solution containing cobalt hydroxide at ∼80 °C without any further heat treatment at high temperature. The formation of cobalt oxide nanoballs on carbon aerogel was confirmed by X-ray diffraction and Raman spectroscopy. The FE-SEM images showed the presence of cobalt oxide nanoballs. The reaction mechanism of the ultrasound-assisted synthesis of cobalt oxide nanostructures was proposed on the basis of the XRD, X-ray absorption spectroscopy analysis and FE-SEM observation of the reaction products taken during the course of the synthesis.

Keywords: cobalt oxide nano balls, carbon aerogel, synthesize, nanostructure

Procedia PDF Downloads 331

Authors: Sagheer A. Onaizi

Abstract:

The adsorption of anionic biosurfactant (surfactin) and anionic synthetic surfactant (sodium dodecylbenzenesulphonate, abbreviated as SDOBS) from phosphate buffer containing high concentrations of co- and counter-ions to the air-buffer interface has been investigated. The self-assembly of the two surfactants at the interface has been monitored through dynamic surface tension measurements. The equilibrium surface pressure-surfactant concentration data in the premicellar region were regressed using Gibbs adsorption equation. The predicted surface saturations for SDOBS and surfactin are and, respectively. The occupied area per an SDOBS molecule at the interface saturation condition is while that occupied by a surfactin molecule is. The surface saturations reported in this work for both surfactants are in a very good agreement with those obtained using expensive techniques such as neutron reflectometry, suggesting that the surface tension measurements coupled with appropriate theoretical analysis could provide useful information comparable to those obtained using highly sophisticated techniques.

Keywords: adsorption, air-liquid interface, biosurfactant, surface tension

Procedia PDF Downloads 672

Authors: Bireswar Paul, Amitava Datta

Abstract:

Indoor air environment is a big concern in the last few decades in the developing countries, with increased focus on monitoring the air quality. In this work, an experimental study has been conducted to establish the existence of carbon nanoparticles below the size range of 10 nm in the non-sooting zone of a LPG/air partially premixed flame. Mainly, four optical techniques, UV absorption spectroscopy, fluorescence spectroscopy, dynamic light scattering and TEM have been used to characterize and measure the size of carbon nanoparticles in the sampled materials collected from the inner surface of the flame front. The existence of the carbon nanoparticles in the sampled material has been confirmed with the typical nature of the absorption and fluorescence spectra already reported in the literature. The band gap energy shows that the particles are made up of three to six aromatic rings. The size measurement by DLS technique also shows that the particles below the size range of 10 nm. The results of DLS are also corroborated by the TEM image of the same material. 

Keywords: indoor air, carbon nanoparticle, lpg, partially premixed flame, optical techniques

Procedia PDF Downloads 242

Authors: Ahmet Helvaci, Selcuk Dogan

Abstract:

Reed in especially almost all the lakes in Western Anatolia grows naturally. Due to the abundance of reed, pyrolysis of reed is very economical and practical application. In this study, it is aimed to determine the optimum conditions for the pyrolysis of the reed which is a cheap and abundant raw material and to evaluate pyrolysis products. For this purpose, reed was used obtained from Eber Lake located in the borders of Bolvadin county of Afyonkarahisar. Optimum pyrolysis conditions have been determined by examining the effects of changes in pyrolysis temperature and pyrolysis time. The evaluation of the obtained liquid and solid pyrolysis products has been investigated. Especially evaluability of solid carbon black production of tires has been investigated. Tire samples were prepared with carbon black samples obtained as a result of the pyrolysis process at different temperatures. Then, performance tests were made and compared with reference carbon blacks, used in the market and standards. At the same time, surface area measurement analysis of carbon black samples was made and compared again with reference carbon blacks. In addition, the fuel values of liquid products were also determined by calorimeter. It has been determined that the best surface area (about 370 m²/g) for carbon black samples, for tire production is 40 minutes at 500ᵒC. It was also found that the best result for evaluation studies in tire production was carbon black samples obtained at 450ᵒC pyrolysis temperature. In addition, it was seen that the calorimetry results of the liquid product obtained during 60 minutes of pyrolysis were quite good (around 5500 kcal/kg).

Keywords: evaluation of products, optimization, pyrolysis, reed

Procedia PDF Downloads 167

Authors: Rahma Tibigui, Ikram Hadj Said, Rachid Belkada, Dalila Hammoutene

Abstract:

The vulnerability of industrial facilities is highly concerned with multiple risks from corrosion. The commonly adopted solution is based on the use of organic inhibitors, which are gradually being replaced by environmentally friendly organic inhibitors. In our work, we carried out a quantum chemical study based on the Density Functional Theory (DFT) method at the B3LYP/6-311G (d,p) level of theory. The inhibitory performance of a derivative of the tetrazole molecule has been investigated and reported as a carbon steel-friendly corrosion inhibitor in hydrochloric acid (HCl) medium. The relationship is likely to exist between the molecular structure of this compound as well as its various global reactivity descriptors, and its corrosion inhibition efficiency, which was examined and then discussed. The results show low values of ΔE, which represent strong adsorption of the inhibitor on the steel surface. Moreover, the flat adsorption orientation confirmed the great ability to donate (accept) electrons to (from) steel, fabricating an anchored barrier to prevent steel from corrosion.

Keywords: eco-friendly, corrosion inhibitors, tetrazole, DFT

Procedia PDF Downloads 206

Authors: Hong Yu, Dirk Heider, Suresh Advani

Abstract:

Increasing demands for high strength and lightweight materials in aircraft industry prompted the wide use of carbon composites in recent decades. Carbon composite laminates used on aircraft structures are subject to lightning strikes. Unlike its metal/alloy counterparts, carbon fiber reinforced composites demonstrate smaller electrical conductivity, yielding more severe damages due to Joule heating. The anisotropic nature of composite laminates makes the electrical and thermal conduction within carbon composite laminates even more complicated. Good understanding of the electrical conduction behavior of carbon composites is the key to effective lightning protection design. The goal of this study is to numerically and experimentally investigate the impact of ultra-high temperature induced by simulated lightning strike on the electrical conduction of carbon composites. A lightning simulator is designed to apply standard lightning current waveform to composite laminates. Multiple carbon composite laminates made from IM7 and AS4 carbon fiber are tested and the transient resistance data is recorded. A microstructure based resistor network model is developed to describe the electrical and thermal conduction behavior, with consideration of temperature dependent material properties. Material degradations such as thermal and electrical breakdown are also modeled to include the effect of high current and high temperature induced by lightning strikes. Good match between the simulation results and experimental data indicates that the developed model captures the major conduction mechanisms. A parametric study is then conducted using the validated model to investigate the effect of system parameters such as fiber volume fraction, inter-ply interface quality, and lightning current waveforms.

Keywords: carbon composite, joule heating, lightning strike, resistor network

Procedia PDF Downloads 203

Authors: Joseph Govha, Sharon Mudutu

Abstract:

The research details the treatment of distillery waste water by making use of activated carbon prepared from orange peels as an adsorbent. Adsorption was carried out at different conditions to determine the optimum conditions that work best for the removal of color in distillery waste water using orange peel activated carbon. Adsorption was carried out at different conditions by varying contact time, adsorbent dosage, pH, testing for color intensity and Biological Oxygen Demand. A maximum percentage color removal of 88% was obtained at pH 7 at an adsorbent dosage of 1g/20ml. Maximum adsorption capacity was obtained from the Langmuir isotherm at R2=0.98.

Keywords: distillery, waste water, orange peel, activated carbon, adsorption

Procedia PDF Downloads 261

Authors: Mahla Zabet, Navid Zanganeh, Hafez Balavi, Farbod Sharif

Abstract:

Electrodeposition is a method for applying coatings with uniform thickness on complex objects. A conductive surface can be produced using the electrical current in this method. Carbon nanotubes are known to have high electrical conductivity and mechanical properties. In this report, NH2-multiwalled carbon nanotubes (MWCNTs) were used in epoxy resin with different weight percent. The weight percent of incorporated MWCNTS into the matrix was changed in the range of 0.6-3.6 wt% to obtain a series of electrocoatings. The electrocoats were then applied on steel substrates by a cathodic electrodeposition technique. Scanning electron microscopy (SEM) and optical microscopy were used to characterize the electrocoated films. The results illustrated the increase in conductivity by increasing of MWCNT load. However, at the percolation threshold, throwing power was dropped with increase in recoating ability.

Keywords: electrodeposition, carbon nanotube, electrical conductivity, throwing power

Procedia PDF Downloads 382

Authors: Kimuli Ismail, Michael Lubwama, John Baptist Kirabira, Adam Sebbit

Abstract:

This study develops 4 energy scenarios for Greater Kampala Metropolitan Area (GKMA). GKMA is Uganda’s capital with a population of 4.1million and a GDP growth rate of 5.8 with a nonsustainable energy management system. The study uses TIMES-VEDA to examine the energy impacts of business as usual (BAU), Kabejja, Carbon-Tax, and Lutta scenarios in commercial, industrial, transportation, residential, agricultural, and electricity generation activities. BAU is the baseline scenario with limited CO2 emissions restrictions against which Kabejja with 20% CO2 emissions restriction, a carbon tax of $100/ton imposed in 2050 for Carbon-Tax scenario, and Lutta with 95% CO2 emissions restriction is made. The analysis suggests that if the current policy trends continue as BAU, consumption would increase from 139.6PJ to 497.42PJ and CO2 emissions will increase from 4.6mtns to 7mtns. However, consumption would decrease by 2.3% in Kabejja, 3.4% in Carbon-Tax, and 3.3 % in Lutta compared to BAU. The CO2 emissions would decrease by 8.57% in Kabejja, 55.14% in Carbon-Tax, and 60% in Lutta compared to BAU. Sustainability is achievable when low-carbon electricity is increased by 53.68% in the EMS, and setting up an electrified Kampala metro. The study recommends Lutta as the sustainable pathway to a lowcarbon 2050.

Keywords: Sustainability, Scenario Plannnig, Times-Veda Modelling, Energy Policy Development

Procedia PDF Downloads 40

Authors: Monika Singh

Abstract:

A carbon nanotube thin film coated on dielectric interface is employed to produce THz surface plasma wave (SPW). The carbon nanotube has its plasmon frequency in the THz range. The SPW field falls off away from the metal film both inside the dielectric as well as in free space. An amplitude modulated laser pulse normally incident, from free space on slow wave structure, exert a modulation frequency ponderomotive force on the free electrons of the CNT film and resonantly excite the THz surface plasma wave at the modulation frequency. Carbon nanotube based plasmonic nano-structure materials provides potentially more versatile approach to tightly confined surface modes in the THz range in comparison to noble metals.

Keywords: surface plasmons, surface waves, thin films, THz radiation

Procedia PDF Downloads 367

Authors: H. Sezgin, O. B. Berkalp, R. Mishra, J. Militky

Abstract:

In the last few decades, due to their advanced properties, there has been an increasing interest in hybrid composite materials. In this study, the effect of different stacking sequences of jute and carbon fabric plies on dynamic mechanical properties of composite laminates were investigated. Vacuum bagging system was used to fabricate the composite samples. Each composite laminate was reinforced with two plies of jute fabric and two plies of carbon fabric by varying the position of layers. Dynamic mechanical analyzer (DMA) was used to examine the dynamic mechanical properties of composite laminates with increasing temperature. Results showed that the composite sample, which has carbon fabric at the outer layers, has the highest storage and loss modulus. Besides, it was observed that glass transition temperature (T_g) of samples are close to each other and at about 75 °C.

Keywords: differential scanning calorimetry dynamic mechanical analysis, textile reinforced composites, thermogravimetric analysis

Procedia PDF Downloads 267

Authors: Amira Shakila Razali, Faridah Lisa Supian, Muhammad Mat Salleh, Suriani Abu Bakar

Abstract:

Water contamination by toxic compound is one of the serious environmental problems today. These toxic compounds mostly originated from industrial effluents, agriculture, natural sources and human waste. These study are focused on modification of multiwalled carbon nanotube (MWCNTs) with nanoparticle of calixarene and explore the possibility of using this nanocomposites for the remediation of cadmium in water. The nanocomposites were prepared by dissolving calixarene in chloroform solution as solvent, followed by additional multiwalled carbon nanotube (MWCNTs) then sonication process for 3 hour and fabricated the nanocomposites on substrate by spin coating method. Finally, the nanocomposites were tested on cadmium ion (10 mg/ml). The morphology of nanocomposites was investigated by FESEM showing the formation of calixarene on the outer walls of carbon nanotube and cadmium ion also clearly seen from the micrograph. This formation was supported by using energy dispersive x-ray (EDX). The presence of cadmium ions in the films, leads to some changes in the surface potential and Fourier Transform Infrared spectroscopy (FTIR).This nanocomposites have potential for development of sensor for pollutant monitoring and nanoelectronics devices applications

Keywords: calixarene, multiwalled carbon nanotubes, cadmium, surface potential

Procedia PDF Downloads 452

Authors: Jeevan Jyoti, Bhanu Pratap Singh, S. R. Dhakate

Abstract:

In the present study, multiwalled carbon nanotubes (MWCNTs) and reduced graphene oxide (RGO) were synthesized by chemical vapor deposition and Improved Hummer’s method, respectively and their composite with acrylonitrile butadiene styrene (ABS) were prepared by twin screw co rotating extrusion technique. The electromagnetic interference (EMI) shielding effectiveness of graphene oxide carbon nanotube (GCNTs) hybrid composites was investigated and the results were compared with EMI shielding of carbon nanotube (CNTs) and reduced graphene oxide (RGO) in the frequency range of 12.4-18 GHz (Ku-band). The experimental results indicate that the EMI shielding effectiveness of these composites is achieved up to –21 dB for 10 wt. % loading of GCNT loading. The mechanism of improvement in EMI shielding effectiveness is discussed by resolving their contribution in absorption and reflection loss. The main reason for such a high improved shielding effectiveness has been attributed to the significant improvement in the electrical conductivity of the composites. The electrical conductivity of these GCNT/ABS composites was increased from 10-13 S/cm to 10-7 S/cm showing the improvement of the 6 order of the magnitude. Scanning electron microscopic (SEM) and high resolution transmission electron microscopic (HRTEM) studies showed that the GCNTs were uniformly dispersed in the ABS polymer matrix. GCNTs form a network throughout the polymer matrix and promote the reinforcement.

Keywords: ABS, EMI shielding, multiwalled carbon nanotubes, reduced graphene oxide, graphene, oxide-carbon nanotube (GCNTs), twin screw extruder, multiwall carbon nanotube, electrical conductivity

Procedia PDF Downloads 327

Authors: Nabil Elkhatri, Mohamed Louay Metougui, Ngonidzashe Chirinda

Abstract:

Mining activities have left a legacy of degraded landscapes, prompting urgent efforts for ecological restoration. Reforestation holds promise as a potent tool to rehabilitate these old mining sites, with the potential to sequester carbon and contribute to climate change mitigation. This study focuses on evaluating the carbon stock and sequestration potential of reforestation species in the context of Morocco's mining areas, employing the DeNitrification-DeComposition (DNDC) model. The research is grounded in recognizing the need to connect theoretical models with practical implementation, ensuring that reforestation efforts are informed by accurate and context-specific data. Field data collection encompasses growth patterns, biomass accumulation, and carbon sequestration rates, establishing an empirical foundation for the study's analyses. By integrating the collected data with the DNDC model, the study aims to provide a comprehensive understanding of carbon dynamics within reforested ecosystems on old mining sites. The major findings reveal varying sequestration rates among different reforestation species, indicating the potential for species-specific optimization of reforestation strategies to enhance carbon capture. This research's significance lies in its potential to contribute to sustainable land management practices and climate change mitigation strategies. By quantifying the carbon stock and sequestration potential of reforestation species, the study serves as a valuable resource for policymakers, land managers, and practitioners involved in ecological restoration and carbon management. Ultimately, the study aligns with global objectives to rejuvenate degraded landscapes while addressing pressing climate challenges.

Keywords: carbon stock, carbon sequestration, DNDC model, ecological restoration, mining sites, Morocco, reforestation, sustainable land management.

Procedia PDF Downloads 36

Authors: Stefan Nicolae, Cristina Cirtoaje, Emil Petrescu, Florin-Razvan Duca

Abstract:

In the context of the accelerated expansion of urban agglomerations and the exponential development of industry, a huge amount of water is used, and a crisis of drinking water may occur any time. Classic wastewater treatment removes most pollutants but, for some chemical residues, special methods are needed. Carbon nanotubes and other carbon materials might be used in many cases [1-2], especially for heavy metals removal but also on pharmaceutical products such as paracetamol [3]. Our research has confirmed the better efficiency of nanotubes compared to graphene on paracetamol removal from water, but even better results were obtained on single-walled nanotubes (SWCNTs) and graphene nanoplatelets. This can be due to their better dispersion in water which leads to an increased contact surface, so we propose a filtration system of membranes and carbon materials that can be used for paracetamol removal from wastewater but also for other drugs that affect the aquatic life as well as terrestrial animals and people who use this contaminated water.

Keywords: applied physics, wastewater, nanomaterials, enviromental science

Procedia PDF Downloads 162

Authors: Messai Amel, Badis Zakaria, Benali-Cherif Nourredine, Dominique Luneaub

Abstract:

We are interested in molecular polymetallic species having high spin and nuclearities in relation to the field of so call single-molecule magnets (SMMs). The goal is to find a way to synthesis metal clusters which may have application in magnetism and nano sciences. With this purpose, we decided to investigate the coordination chemistry of the Schiff base. Along this way we were able to create cubane-like complexes and elaborate new Single Molecule-Magnets. The idea was to use Schiff base ligands and different metals to generate high nuclear complexes. Complexation of Shiff base with copper (II) has been investigated. Tetra nuclear complex with a cubane like core have been synthesized with (Sciff base), with the same base and cobalt (II) we obtain an other single magnetic complex completely different. In this presentation, we report the synthesis, crystal structure and magnetic properties of the tetranuclear compound (Cu4 L4), and the tetranuclear compound. (Co4L4)

Keywords: cluster-assembled materials, magnetic compounds, Sciff base, cupper, cobalt

Procedia PDF Downloads 417

Authors: Katya Milenova, Penko Nikolov, Irina Stambolova, Plamen Nikolov, Vladimir Blaskov

Abstract:

In the recent article, a comparison was made between Cu and TiO2 supported catalysts on activated carbon for ozone decomposition reaction. The activated carbon support in the case of TiO2/AC sample was prepared by physicochemical pyrolysis and for Cu/AC samples the supports are chemically modified carbons. The prepared catalysts were synthesized by impregnation method. The samples were annealed in two different regimes-in air and under vacuum. To examine adsorption efficiency of the samples BET method was used. All investigated catalysts supported on chemically modified carbons have higher specific surface area compared to the specific surface area of TiO2 supported catalysts, varying in the range 590÷620 m2/g. The method of synthesis of the precursors had influenced catalytic activity.

Keywords: activated carbon, adsorption, copper, ozone decomposition, TiO2

Procedia PDF Downloads 385

Authors: Hubert Beisch, Janik Marx, Svenja Garlof, Roman Shvets, Ivan Grygorchak, Andriy Kityk, Bodo Fiedler

Abstract:

Three-dimensional carbon materials can be used as electrode materials for energy storage systems such as batteries and supercapacitors. Fast charging and discharging times are realizable without reducing the performance due to aging processes. Furthermore high specific surface area (SSA) of three-dimensional carbon structures leads to high specific capacities. One newly developed carbon foam is Globugraphite. This interconnected globular carbon morphology with statistically distributed hierarchical pores is manufactured by a chemical vapor deposition (CVD) process from ceramic templates resulting from a sintering process. Via scanning electron (SEM) and transmission electron microscopy (TEM), the morphology is characterized. Moreover, the SSA was measured by the Brunauer–Emmett–Teller (BET) theory. Measurements of Globugraphite in an organic and inorganic electrolyte show high energy densities and power densities resulting from ion absorption by forming an electrochemical double layer. A comparison of the specific values is summarized in a Ragone diagram. Energy densities up to 48 Wh/kg and power densities to 833 W/kg could be achieved for an SSA from 376 m²/g to 859 m²/g. For organic electrolyte, a specific capacity of 100 F/g at a density of 20 mg/cm³ was achieved.

Keywords: BET, carbon foam, CVD process, electrochemical cell, Ragone diagram, SEM, TEM

Procedia PDF Downloads 205

Authors: Sahar Elkaee Behjati

Abstract:

Air pollution, particularly with dust, is one of the biggest issues Tehran is dealing with, and the city's green space which consists of trees has a critical role in absorption of it. The question this study aimed to investigate was which tree species the highest uptake capacity of the dust and carbon have suspended in the air. On this basis, 30 samples of trees from two different districts in Tehran were collected, and after washing and centrifuging, the samples were oven dried. The results of the study revealed that Ulmus minor had the highest amount of deposited dust in both districts. In addition, it was found that in Chamran district Ailanthus altissima and in Gandi district Ulmus minor has had the highest absorption of deposited carbon. Therefore, it could be argued that decision making on the selection of species for urban green spaces should take the above-mentioned parameters into account.

Keywords: dust, leaves, uptake total carbon, Tehran, tree species

Procedia PDF Downloads 110

Authors: Hyeonuk Shin, Hun Song, Yongsik Chu, Jongkyu Lee, Dongcheon Park

Abstract:

Although much current research has been devoted to reusing concrete in the form of recycled aggregate, insufficient attention has been given to researching the utilization of waste concrete powder, which constitutes 20 % or more of waste concrete and therefore the majority of waste cementitious powder is currently being discarded or buried in landfills. This study consists of foundational research for the purpose of reusing waste cementitious powder in the form of recycled cement that can answer the need for low carbon green growth. Progressing beyond the conventional practice of using the waste cementitious powder as inert filler material, this study contributes to the aim of manufacturing high value added materials that exploits the chemical properties of the waste cementitious powder, by presenting a pre-treatment method for the material and an optimal method of proportioning the mix of materials to develop a low carbon type of recycled cement.

Keywords: Low carbon type cement, Waste cementitious powder, Waste recycling

Procedia PDF Downloads 427

Authors: Sreevalli Bokka

Abstract:

The process of reducing the intensity of the carbon from a process or stream into the atmosphere is termed Decarbonization. Of the various technologies that are emerging to capture or reduce carbon intensity, membranes are emerging as a key player in separating carbon from a gas stream, such as industrial effluent air and others. Due to the advantage of high surface area and low flow resistance, fiber membranes are emerging widely for gas separation applications. A fiber membrane is a semipermeable barrier that is increasingly used for filtration and separation applications needing high packing density. A few of the many applications are in water desalination, medical applications, bioreactors, and gas separations applications. Only a few polymeric membranes were studied for fabricating fiber membranes such as cellulose acetate, Polysulfone, and Polyvinylidene fluoride. A few of the challenges of using fiber membranes are fouling and weak mechanical properties, leading to the breakage of membranes. In this work, the growth of fiber membranes and challenges for future developments in the filtration and gas separation applications are presented.

Keywords: membranes, filtration, separations, polymers, carbon capture

Procedia PDF Downloads 20

Authors: Kuheli Chakrabarty, Animesh Ghosh, Atanu Roy, Gourab Kanti Das

Abstract:

Aldol reaction is an important class of carbon-carbon bond forming reactions. One of the popular ways to impose asymmetry in aldol reaction is the introduction of chiral auxiliary that binds the approaching reactants and create dissymmetry in the reaction environment, which finally evolves to enantiomeric excess in the aldol products. The last decade witnesses the usage of natural amino acids as chiral auxiliary to control the stereoselectivity in various carbon-carbon bond forming processes. In this context, L-proline was found to be an effective organocatalyst in asymmetric aldol additions. In last few decades the use of water as solvent or co-solvent in asymmetric organocatalytic reaction is increased sharply. Simple amino acids like L-proline does not catalyze asymmetric aldol reaction in aqueous medium not only that, In organic solvent medium high catalytic loading (~30 mol%) is required to achieve moderate to high asymmetric induction. In this context, huge efforts have been made to modify L-proline and 4-hydroxy-L-proline to prepare organocatalyst for aqueous medium asymmetric aldol reaction. Here, we report the result of our DFT calculations on asymmetric aldol reaction of benzaldehyde, p-NO2 benzaldehyde and t-butyraldehyde with a number of ketones using L-proline hydrazide as organocatalyst in wet solvent free condition. Gaussian 09 program package and Gauss View program were used for the present work. Geometry optimizations were performed using B3LYP hybrid functional and 6-31G(d,p) basis set. Transition structures were confirmed by hessian calculation and IRC calculation. As the reactions were carried out in solvent free condition, No solvent effect were studied theoretically. Present study has revealed for the first time, the direct involvement of two water molecules in the aldol transition structures. In the TS, the enamine and the aldehyde is connected through hydrogen bonding by the assistance of two intervening water molecules forming a supramolecular network. Formation of this type of supramolecular assembly is possible due to the presence of protonated -NH2 group in the L-proline hydrazide moiety, which is responsible for the favorable entropy contribution to the aldol reaction. It is also revealed from the present study that, water assisted TS is energetically more favorable than the TS without involving any water molecule. It can be concluded from this study that, insertion of polar group capable of hydrogen bond formation in the L-proline skeleton can lead to a favorable aldol reaction with significantly high enantiomeric excess in wet solvent free condition by reducing the activation barrier of this reaction.

Keywords: aldol reaction, DFT, organocatalysis, transition structure

Procedia PDF Downloads 399

Authors: Saad Mohamed Elsaid Onaizah

Abstract:

One of the reasons for the intensive use of pesticides is to protect agricultural crops and orchards from pests or agricultural worms. The period of time that pesticides stay inside the soil is estimated at about (2) to (12) weeks. Perhaps the most important reason that led to groundwater pollution is the easy leakage of these harmful pesticides from the soil into the aquifers. This research aims to find the best ways to use trated activated charcoal with gold nitrate solution; For the purpose of removing the deadly pesticides from the aqueous solution by adsorption phenomenon. The most used pesticides in Egypt were selected, such as Malathion, Methomyl Abamectin and, Thiamethoxam. Activated charcoal doped with gold ions was prepared by applying chemical and thermal treatments to activated charcoal using gold nitrate solution. Adsorption of studied pesticide onto activated carbon /Au was mainly by chemical adsorption forming complex with the gold metal immobilised on activated carbon surfaces. Also, gold atom was considered as a catalyst to cracking the pesticide molecule. Gold activated charcoal is a low cost material due to the use of very low concentrations of gold nitrate solution. its notice the great ability of activated charcoal in removing selected pesticides due to the presence of the positive charge of the gold ion, in addition to other active groups such as functional oxygen and lignin cellulose. The presence of pores of different sizes on the surface of activated charcoal is the driving force for the good adsorption efficiency for the removal of the pesticides under study The surface area of the prepared char as well as the active groups were determined using infrared spectroscopy and scanning electron microscopy. Some factors affecting the ability of activated charcoal were applied in order to reach the highest adsorption capacity of activated charcoal, such as the weight of the charcoal, the concentration of the pesticide solution, the time of the experiment, and the pH. Experiments showed that the maximum limit revealed by the batch adsorption study for the adsorption of selected insecticides was in contact time (80) minutes at pH (7.70). These promising results were confirmed, and by establishing the practical application of the developed system, the effect of various operating factors with equilibrium, kinetic and thermodynamic studies is evident, using the Langmuir application on the effectiveness of the absorbent material with absorption capacities higher than most other adsorbents.

Keywords: waste water, pesticides pollution, adsorption, activated carbon

Procedia PDF Downloads 42

Authors: Ngozi Nwogu, Godson Osueke, Mamdud Hossain, Edward Gobina

Abstract:

An unconventional composite inorganic ceramic membrane capable in carbon dioxide emission decline was fabricated and tested at laboratory scale to develop in conformism to various environmental guidelines to mitigate the effect of global warming. A review of the existing membrane technologies for carbon capture including the relevant gas transport mechanisms are presented and discussed. Single gas separation experiments using silica modified ceramic membrane with internal diameter 20mm, outside diameter 25mm and length of 368mm deposited on a macro porous supported reactor.was carried out to investigate individual gas permeation behaviours at different pressures and membrane efficiency after a dip coating method. Nitrogen, Carbon dioxide, Argon, Oxygen and Methane pure gases were used to investigate their individual permeation rates at various pressures. Results show that the gas flow rate increases with pressure drop. However at above a pressure of 3bar, CO2 permeability ratio to than the other gases indicated control of a more selective surface adsorptive transport mechanism.

Keywords: carbon dioxide, composite membranes, permeability, transport mechanisms

Procedia PDF Downloads 477