Search results for: superparamagnetic core-shell catalysts

Authors: Mourad Makhlouf, Bouabdellah Benaicha, Zoubir Benmaamar, Didier Villemin

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The addition of combustion catalysts to ammonium perchlorate-based composite fuels can indeed significantly enhance their performance. In this work, a nanocomposite was synthesized using graphene oxide (GO) and hematite nanoparticles grafted onto graphene oxide as a catalyst support.To characterize the nanocomposite, several experimental techniques were employed, including Fourier-transform infrared spectroscopy (FTIR), Raman spectroscopy, and scanning electron microscopy (SEM). FTIR is useful for analyzing chemical bonding and functional groups, while Raman spectroscopy provides information about the vibrational modes of the materials. SEM allows for visualizing the surface morphology and structure.The thermal analysis of two mixtures, one based on AP/GO and the other on AP/GO-Fe2O3, was conducted with varying percentages. The results indicated that the nanocomposite GO-Fe2O3 acted as a catalyst, significantly accelerating the thermal decomposition process of AP. This catalytic effect ultimately led to an improvement in the energy performance of the composite fuel.Overall, the synthesis and characterization of the nanocomposite, as well as the thermal analysis, demonstrated the effectiveness of GO-Fe2O3 as a combustion catalyst in enhancing the performance of ammonium perchlorate-based composite fuels.

Keywords: composite propellants, ammonium perchlorate, nanocomposite, catalytic support, hematite nanoparticles, graphene oxide, thermal decomposition

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Authors: Amine Harrane, Mahmoud Belalia

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During the last decade, polymer layered silicate nanocomposites have received increasing attention from scientists and industrial researchers because they generally exhibit greatly improved mechanical, thermal, barrier and flame-retardant properties at low clay content in comparison with unfilled polymers or more conventional micro composites. Poly(ε-caprolactone) (PCL)-layered silicate nanocomposites have the advantage of adding biocompatibility and biodegradability to the traditional properties of nanocomposites. They can be prepared by in situ ring-opening polymerization of ε-caprolactone using a conventional initiator to induce polymerization in the presence of an organophilic clay, such as organomodified montmorillonite. Messersmith and Giannelis used montmorillonite exchanged with protonated 12-amino dodecanoic acid and Cr3+ exchanged fluorohectorite, a synthetic mica type of silicate. Sn-based catalysts such as tin (II) octoate and dibutyltin (IV) dimethoxide have been reported to efficiently promote the polymerization of ε-caprolactone in the presence of organomodified clays. In this work, we have used an alternative method to prepare PCL/montmorillonite nanocomposites. The cationic polymerization of ε-caprolactone was initiated directly by Maghnite-TOA, organomodified montmorillonite clay, to produce nanocomposites (Scheme 1). Resulted from nanocomposites were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), force atomic microscopy (AFM) and thermogravimetry.

Keywords: polycaprolactone, polycaprolactone/clay nanocomposites, biodegradables nanocomposites, Maghnite, Insitu polymeriation

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Authors: K. J. Jegede, O. O. Odekunle

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The challenges facing government at all levels in the area of urban development are two folds, first is how to provide basic services for urban dwellers especially the urban poor and second, how to make cities and towns as model of good places for economic development. The key ingredients and catalysts for achieving these goals are strong and virile institutional capacity, urban infrastructure and a supportive urban policy framework. The government at all levels have been upgrading and expanding city infrastructure and services in Ibadan, the state capital to support sustainable economic development of the city, particularly in the areas of electricity, neighbourhood, solid waste management, transport, water supply, education, health facilities and markets developments to discourage street trading. This paper attempts to present Ibadan in the millennium as 'a model of a sustainable city'. A planned development strategy that had sustained the growth of the city from a war camp in the 19th century to a cosmopolitan city in the 21st century with the potential to become a megacity. The presentation examines, among others, the physical structure and population density of Ibadan city, the challenges of economic development, the development of urban infrastructure and services in Ibadan metropolitan area. The paper submitted by mapping out a strategy to achieve sustainable development of Ibadan city.

Keywords: megacity, physical structure, sustainable city, urban infrastructure

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Authors: T. H. Derdzyan, K. A. Ghazaryan, G. A. Gevorgyan

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Beta-glucosidase, chitinase, leucine-aminopeptidase, acid phosphomonoestearse and acetate-esterase enzyme activities in the soils under the impact of metallurgical industrial activity in Lori marz (district) were investigated. The results of the study showed that the activities of the investigated enzymes in the soils decreased with increasing distance from the Shamlugh copper mine, the Chochkan tailings storage facility and the ore transportation road. Statistical analysis revealed that the activities of the enzymes were positively correlated (significant) to each other according to the observation sites which indicated that enzyme activities were affected by the same anthropogenic factor. The investigations showed that the soils were polluted with heavy metals (Cu, Pb, As, Co, Ni, Zn) due to copper mining activity in this territory. The results of Pearson correlation analysis revealed a significant negative correlation between heavy metal pollution degree (Nemerow integrated pollution index) and soil enzyme activity. All of this indicated that copper mining activity in this territory causing the heavy metal pollution of the soils resulted in the inhabitation of the activities of the enzymes which are considered as biological catalysts to decompose organic materials and facilitate the cycling of nutrients.

Keywords: Armenia, metallurgical industrial activity, heavy metal pollutionl, soil enzyme activity

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Authors: Karla Lienau, Rafael Müller, René Moré, Debora Ressnig, Dan Cook, Richard Walton, Greta R. Patzke

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The increasing demand for renewable energy sources and storable fuels underscores the high potential of artificial photosynthesis. The four electron transfer process of water oxidation remains the bottleneck of water splitting, so that special emphasis is placed on the development of economic, stable and efficient water oxidation catalysts (WOCs). Our investigations introduced cobalt carbodiimide CoNCN and its transition metal analogues as WOC types, and further studies are focused on the interaction of different transition metals in the convenient all-nitrogen/carbon matrix. This provides further insights into the nature of the ‘true catalyst’ for cobalt centers in this non-oxide environment. Water oxidation activity is evaluated with complementary methods, namely photocatalytically using a Ru-dye sensitized standard setup as well as electrocatalytically, via immobilization of the WOCs on glassy carbon electrodes. To further explore the tuning potential of transition metal combinations, complementary investigations were carried out in oxidic spinel WOC matrices with more versatile host options than the carbodiimide framework. The influence of the preparative history on the WOC performance was evaluated with different synthetic methods (e.g. hydrothermally or microwave assisted). Moreover, the growth mechanism of nanoscale Co3O4-spinel as a benchmark WOC was investigated with in-situ PXRD techniques.

Keywords: carbodiimide, photocatalysis, spinels, water oxidation

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Authors: Rawaz A. Ahmed, Katherine Huddersman

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High-lipid Fats, Oils and Grease (FOGs) from wastewater are underutilized despite their potential for conversion into valuable fuels; this work describes a surface-functionalized fibrous Polyacrylonitrile (PAN) mesh as a novel heterogeneous acid catalyst for the conversion of free fatty acids (FFAs), via a catalytic esterification process into biodiesel. The esterification of stearic acid (SA) with methanol was studied over an acidified PAN solid acid catalyst. Disappearance of the carboxylic acid (C=O) peak of the stearic acid at 1696 cm-1 in the FT-IR spectrum with the associated appearance of the ester (C=O) peak at 1739 cm-1 confirmed the production of the methyl stearate. This was further supported by 1H NMR spectra with the appearance of the ester (-CH₂OCOR) at 3.60-3.70 ppm. Quantitate analysis by GC-FID showed the catalyst has excellent activity with >95 % yield of methyl stearate (MS) at 90 ◦C after 3 h and a molar ratio of methanol to SA of 35:1. To date, to our best knowledge, there is no research in the literature on the esterification reaction for biodiesel production using a modified PAN mesh as a catalyst. It is noteworthy that this acidified PAN mesh catalyst showed comparable activity to conventional Brönsted acids, namely H₂SO₄ and p-TSA, as well as exhibiting higher activity than various other heterogeneous catalysts such as zeolites, ion-exchange resins and acid clay.

Keywords: fats oil and greases (FOGs), free fatty acid, esterification reaction, methyl ester, PAN

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Authors: Man Young Kim

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Catalytic combustion is generally accepted as an environmentally preferred alternative for the generation of heat and power from fossil fuels mainly due to its advantages related to the stable combustion under very lean conditions with low emissions of NOx, CO, and UHC at temperatures lower than those occurred in conventional flame combustion. Despite these advantages, the commercial application of catalytic combustion has been delayed because of complicated reaction processes and the difficulty in developing appropriate catalysts with the required stability and durability. To develop the catalytic combustors, detailed studies on the combustion characteristics of catalytic combustion should be conducted. To the end, in current research, quantitative studies on the combustion characteristics of the catalytic combustors, with a Pd-based catalyst for MCFC power generation systems, relying on numerical simulations have been conducted. In addition, data from experimental studies of variations in outlet temperatures and fuel conversion, taken after operating conditions have been used to validate the present numerical approach. After introducing the governing equations for mass, momentum, and energy equations as well as a description of catalytic combustion kinetics, the effects of the excess air ratio, space velocity, and inlet gas temperature on the catalytic combustion characteristics are extensively investigated. Quantitative comparisons are also conducted with previous experimental data. Finally, some concluding remarks are presented.

Keywords: catalytic combustion, methane, BOP, MCFC power generation system, inlet temperature, excess air ratio, space velocity

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Authors: Wilmer Esteban Vallejo Narváez, Serguei Fomine

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The theoretical investigation of Si-doped graphene nanoflakes (NFs) was conducted to understand their catalytic impact on CO₂ reduction using molecular hydrogen at the Density Functional Theory (DFT) level. The introduction of silicon by substituting carbon induces defects in the NF structure, resulting in a polyradical ground state. This silicon defect significantly boosts reactivity towards substrates, making Si-doped graphene NFs more catalytically active in CO₂ reduction to formic acid compared to silicene. Notably, Si-doped graphene demonstrates a preference for formic acid over carbon monoxide, mirroring the behavior of silicene. Furthermore, investigations into formic acid-to-formaldehyde and formaldehyde-to-methanol conversions reveal instances where Si-doped graphene outperforms silicene in terms of efficacy. In the final reduction step, the methanol-to-methane reaction unfolds in four stages, with the rate-determining step involving hydrogen transfer from silicon to methyl. Notably, the activation energy for this step is lower in Si-doped graphene compared to silicene. Consequently, Si-doped graphene NFs emerge as superior catalysts with lower activation energies overall. Remarkably, throughout these catalytic processes, Si-doped graphene maintains environmental stability, further highlighting its enhanced catalytic activity without compromising graphene's inherent stability.

Keywords: silicon-doped graphene, CO₂ reduction, DFT, catalysis

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Authors: Ayushi Arora

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Solar photocatalysis has the potential to treat drinking water in a sustainable and cost effective manner. According to WHO, there should not be any colony forming units (CFU) per 100 mL present in drinking water, and as per the Central Pollution Control Board (CPCB) of India, the bathing water should have less than 500 CFU/100 mL and the maximum permissible limit is 2500 CFU/100 mL. In this study, 8 water sources near our collaborators, Indian Institute of Technology, Kharagpur, India, were analysed, and it was found that 6 out of 8 sources of water had significant coliform count in them. Two of them were chosen to be treated by solar photocatalysis a) well water which had a count of 4800 CFU/100 mL for total coliforms and was used by people for drinking purposes, and b) pond water which had a count of 92000 CFU/100 mL for total coliforms and 3000 CFU/mL for E.Coli and was used by people for washing and bathing purposes. In this study, a semiconductor-semiconductor, composite BTO-TiO2-RMSG & TiO2-SiO2 were tested for their ability to be activated under solar light and to reduce Total Coliforms and E.Coli bacteria in real world contaminated water, and it was found that both catalysts were both able to reduce the total coliform count in water by 99.7% and 98.2 % in 2 hrs respectively. They have also shown promising results in reusability tests. This study demonstrates the ability of solar photocatalysis to be used in real world drinking water treatment and will promote future advancements in this field.

Keywords: sustainable water treatment, waterpurification technologies, water policies, water pollution and environmental engineering

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Authors: Nwadike Emmanuel Chinagoron, Achebe Chukwunonso, Ezeliora Chukwuemeka Daniel, Azaka Onyemazuwa Andrew

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In this research work, the process of biodiesel production in a pilot plant was studied using cow tallow as raw material, methanol as the solvent and potassium hydroxide as catalysts. The biodiesel quality was determined by characterization. The tallow used in the production had a molecular weight of 860g. Its oil had a density value of 0.8g/ml, iodine value of 63.45, viscosity at 300C was 9.83pas, acid value was 1.96, free fatty acid (FFA) of 0.98%, saponification value of 82.75mleq/kg, specific gravity of 0.898, flash point of 1100C, cloud point of 950C and Calorific value also called Higher Heating Value (HHV) of 38.365MJ/Kg. The produced biodiesel had a density of 0.82g/ml, iodine value of 126.9, viscosity of 4.32pas at 300C, acid value of 0.561, FFA of 0.2805%, saponification value of 137.45 mleq/kg.Flash point, cloud point and centane number of the biodiesel produced are 1390C, 980C and 57.5 respectively, with fat content, protein content, ash content, moisture content, fiber content and carbohydrate content values of 10%, 2.8%, 5%, 5%, 20%, and 37.2% respectively. The biodiesel higher heating values (calorific values) when estimated from viscosity, density and flash points were 41.4MJ/Kg, 63.8MJ/Kg, and 34.6MJ/Kg respectively. The biodiesel was blended with conventional diesel. The blend B-10 had values of 1320C and 960C for flash and cloud points, with Calorific value (or HHV) of 34.6 MJ/Kg (when estimated from its Flash point) and fat content, protein content, ash content, moisture content, fiber content and carbohydrate content values of 5%, 2.1%,10%, 5%, 15%, and 62.9% respectively.

Keywords: biodiesel, characterization, cow-tallow, cetane rating

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Authors: Talat Baran

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Palladium-catalyzed Suzuki coupling reactions are powerful ways for synthesis of biaryls compounds and so far different palladium sources as have been used in catalyst systems. However, the high cost of the ligands using as support materials for palladium ion and so researchers have explored alternative low-cost support materials such as silica, cellule and zeolite. A natural polymer chitosan is suitable for support material because of it unique properties such as eco-friendly, renewable, abundant, low cost, biodegradable and it has free reactive -NH2 and –OH groups. Especially, pendant amino groups of chitosan can easily react with carbonyl groups of aldehyde or ketone by Schiff base formation and thus palladium ions can coordinate with imine groups of Schiff base. This purpose, in this study, firstly a new chitosan Schiff base supported palladium (II) catalyst was synthesized and its chemical structure was characterized with FT-IR, SEM/EDAX, XRD, TG-DTG, ICP-OES and magnetic moment techniques. Then catalytic performance of the catalyst was investigated in Suzuki cross coupling reactions under simple and fast microwave heating methods. Also, recycle activity of palladium catalyst was tested under optimum condition and the catalyst showed long life time. At the end of catalytic performance tests of chitosan supported palladium (II) catalysts indicated high turnover numbers, turnover frequency and selectivity with very small loading catalyst

Keywords: catalyst, chitosan, Schiff base, Suzuki coupling

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Authors: Ljerka Kratofil Krehula, Martina Perlog, Jasmina Stjepanović, Vanja Gilja, Marijana Kraljić Roković, Zlata Hrnjak-Murgić

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The composite preparation of titanium dioxide and zinc oxide photocatalysts with the conductive polymers gives the opportunity to carry out the catalysis reactions not only under UV light but also under visible light. Such processes may efficiently use sunlight in degradation of different organic pollutants and present new design for wastewater treatment. The paper presents the preparation procedure, material characteristics and photocatalytic efficiency of polypyrrole/titanium dioxide and polypyrrole/zinc oxide composites (PPy/TiO2 and PPy/ZnO). The obtained composite samples were characterized by Fourier transform infrared spectroscopy (FTIR), UV-Vis spectroscopy and thermogravimetric analysis (TGA). The photocatalytic efficiency of the samples was determined following the decomposition of Acid Blue 25 dye (AB 25) under UV and visible light by UV/Vis spectroscopy. The efficiency of degradation is determined by total organic carbon content (TOC) after photocatalysis processes. The results show enhanced photocatalytic efficiency of the samples under visible light, so the prepared composite samples are recognized as efficient catalysts in degradation process of AB 25 dye. It can be concluded that the preparation of TiO2 or ZnO composites with PPy can serve as a very efficient method for the improvement of TiO2 and ZnO photocatalytic performance under visible light.

Keywords: composite, photocatalysis, polypyrrole, titanium dioxide, zinc oxide

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Authors: Kate Ebere Maduforo

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Examining the constraints faced by female entrepreneurs is an important subject which most literature on female entrepreneurship is centered on. However, the majority of the existing literature has focused on studying female entrepreneurs in developed societies. Recently, a sense of urgency that has emerged in trying to understand the challenges and motivations of female entrepreneurs in developing countries. The arousal of such interest has been attributed to women entrepreneurs in developing countries being identified as catalysts of economic development at a national level and champions of poverty eradication at the domestic level. This paper, therefore, examines the peculiar constraints faced by women-owned businesses in the mist of political chaos and instability. In this case, the issues experienced by female entrepreneurs in Egypt during the aftermath of the Arab Spring is the focus. Using the logit and probit regression models, data from the World Bank Middle East North Africa Enterprise Survey (MENA ES) are analyzed. The results identified that female entrepreneurs still lack business funding through financial institutions, but get significant funding assistance from family, friends, and money lenders. In addition, women-owned businesses promote and hire mostly women. Female entrepreneurs showed a preference for an impartial judicial system as a contributor to business growth.

Keywords: female entrepreneurship, development, Middle East, developing countries

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Authors: Rezala Houria, Valverde Jose Luis, Romero Amaya, Molinari Alessandra, Maldotti Andrea

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The escalation of oil prices in 1973 confronted the oil industry with the problem of how to maximize the processing of crude oil, especially the heavy fractions, to give gasoline components. Strong impetus was thus given to the development of catalysts with relatively large pore sizes, which were able to deal with larger molecules than the existing molecular sieves, and with good thermal and hydrothermal stability. The oil embargo in 1973 therefore acted as a stimulus for the investigation and development of pillared clays. Iron doped titania-pillared montmorillonite clays was prepared using bentonite from deposits of Maghnia in western-Algeria. The preparation method consists of differents steps (purification of the raw bentonite, preparation of a pillaring agent solution and exchange of the cations located between the clay layers with the previously formed iron/titanium solution). The characterization of this material was carried out by X-ray fluorescence spectrometry, X-ray diffraction, textural measures by BET method, inductively coupled plasma atomic emission spectroscopy, diffuse reflectance UV visible spectroscopy, temperature- programmed desorption of ammonia and atomic absorption.This new material was investigated as photocatalyst for selective oxygenation of the liquid alkylaromatics such as: toluene, paraxylene and orthoxylene and the photocatalytic properties of it were compared with those of the titanium-pillared clays.

Keywords: iron doping, montmorillonite clays, pillared clays, oil industry

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Authors: Krasimir Ivanov, Dimitar Dimitrov, Tatyana Tabakova, Stefka Kirkova, Anna Stoilova, Violina Angelova

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It has been suggested that nicotine, CO and tar in mainstream smoke are the most important substances and have been judged as the most harmful compounds, responsible for the health hazards of smoking. As nicotine is extremely important for smoking qualities of cigarettes and the tar yield in the tobacco smoke is significantly reduced due to the use of filters with various content and design, the main efforts of cigarettes researchers and manufacturers are related to the search of opportunities for CO content reduction. Highly active ceria supported gold catalyst was prepared by the deposition-precipitation method, and the possibilities for CO oxidation in the synthetic gaseous mixture were evaluated using continuous flow equipment with fixed bed glass reactor at atmospheric pressure. The efficiently of the catalyst in CO oxidation in the real cigarette smoke was examined by a single port, puf-by-puff smoking machine. Quality assessment of smoking using cigarette holder containing catalyst was carried out. It was established that the catalytic activity toward CO oxidation in cigarette smoke rapidly decreases from 70% for the first cigarette to nearly zero for the twentieth cigarette. The present study shows that there are two critical factors which do not permit the successful use of catalysts to reduce the CO content in the mainstream cigarette smoke: (i) significant influence of the processes of adsorption and oxidation on the main characteristics of tobacco products and (ii) rapid deactivation of the catalyst due to the covering of the catalyst’s grains with condensate.

Keywords: cigarette smoke, CO oxidation, gold catalyst, mainstream

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Authors: D. Tassalit, N. Chekir, O. Benhabiles, N. A. Laoufi, F. Bentahar

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In the setting of the waters purification, some molecules appear recalcitrant to the traditional treatments. The exploitation of the properties of some catalysts permits to amplify the oxidization performances with ultraviolet radiance and to remove this pollution by a non biological way. This study was conducted to investigate the effect of a photocatalysis oxidation system for organic pollutants treatment using a new reactor design and ZnO/TiO2 as a catalyst under UV light. Oxidative degradation of tylosin by hydroxyl radicals (OH°) was studied in aqueous medium using suspended forms of ZnO and TiO2. The results improve that the treatment was affected by many factors such as flow-rate of solution, initial pollutant concentration and catalyst concentration. The rate equation for the tylosin degradation followed first order kinetics and the rate-constants were determined. The reaction rate fitted well with Langmuir–Hinshelwood model and the removed ratio of tylosin was 97 % in less than 60 minutes. To determine the optimum catalyst loading, a series of experiments were carried out by varying the amount of catalyst from 0.05 to 0.5 g/L. The results demonstrate that the rate of photodegradation is optimum with catalyst loading of 0.1 g/L, reaction flow rate of 3.79 mL/s and solution natural pH. The rate was found to increase with the decrease in tylosin concentration from 30 to 5 mg/L. Therefore, this simple photoreactor design for the removal of organic pollutants has the potential to be used in wastewater treatment.

Keywords: advanced oxidation, photocatalysis, TiO2, ZnO, UV light, pharmaceuticals pollutants, Spiramycin, tylosin, wastewater treatment

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Authors: Maryam Kiani

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This study focuses on the development of composite nanomaterials based on SiO₂ and carbon black for oxygen reduction reaction (ORR) electrocatalysts in batteries and fuel cells. The aim was to explore the potential of these composite materials as efficient catalysts for ORR, which is a critical process in energy conversion devices. The SiO₂/carbon black composite nanomaterials were synthesized using a facile and scalable method. The morphology, structure, and electrochemical properties of the materials were characterized using various techniques including scanning electron microscopy (SEM), X-ray diffraction (XRD), and electrochemical measurements. The results demonstrated that the incorporation of SiO₂ into the carbon black matrix enhanced the ORR performance of the composite material. The composite nanomaterials exhibited improved electrocatalytic activity, enhanced stability, and increased durability compared to pure carbon black. The presence of SiO₂ facilitated the formation of active sites, improved electron transfer, and increased the surface area available for ORR. This study contributes to the advancement of battery and fuel cell technology by offering a promising approach for the development of high-performance ORR electrocatalysts. The SiO₂/carbon black composite nanomaterials show great potential for improving the efficiency and durability of energy conversion devices, leading to more sustainable and efficient energy solutions.

Keywords: ORR, fuel cells, batteries, electrocatalyst

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Authors: Ahmed Aboforn

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Butene-1 product is consider effectively raw material in Polyethylene production, however Oxygenates impurities existing will be effected ethylene/butene-1 copolymers synthesized through titanium-magnesium-supported Ziegler-Natta catalysts. Laterally, Petrochemical industries are challenge against poor quality of Butene-1 and other C4 mix – feedstock that reflected on business impact and production losing. In addition, propylene product suffering from contamination by oxygenates components and causing for lose production and plant upset of Polypropylene process plants. However, Multidimensional gas chromatography (MDGC) innovative analytical methodology is a chromatography technique used to separate complex samples, as mixing different functional group as Hydrocarbon and oxygenates compounds and have similar retention factors, by running the eluent through two or more columns instead of the customary single column. This analytical study striving to enhance the quality of Oxygenates analytical method, as monitoring the concentration of oxygenates with accurate and precise analytical method by utilizing multidimensional GC supported by Backflush technique and Flame Ionization Detector, which have high performance separation of hydrocarbon and Oxygenates; also improving the minimum detection limits (MDL) to detect the concentration <1.0 ppm. However different types of oxygenates as (Alcohols, Aldehyde, Ketones, Ester and Ether) may be determined in other Hydrocarbon streams asC3, C4-mix, until C12 mixture, supported by liquid injection auto-sampler.

Keywords: analytical chemistry, gas chromatography, petrochemicals, oxygenates

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Authors: Lifar M. S., Tereshchenko A. A., Bulgakov A. N., Guda S. A., Guda A. A., Soldatov A. V.

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Metal nanoparticles are widely used as heterogeneous catalysts to activate adsorbed molecules and reduce the energy barrier of the reaction. Reaction product yield depends on the interplay between elementary processes - adsorption, activation, reaction, and desorption. These processes, in turn, depend on the inlet feed concentrations, temperature, and pressure. At stationary conditions, the active surface sites may be poisoned by reaction byproducts or blocked by thermodynamically adsorbed gaseous reagents. Thus, the yield of reaction products can significantly drop. On the contrary, the dynamic control accounts for the changes in the surface properties and adjusts reaction parameters accordingly. Therefore dynamic control may be more efficient than stationary control. In this work, a reinforcement learning algorithm has been applied to control the simulation of CO oxidation on a catalyst. The policy gradient algorithm is learned to maximize the CO₂ production rate based on the CO and O₂ flows at a given time step. Nonstationary solutions were found for the regime with surface deactivation. The maximal product yield was achieved for periodic variations of the gas flows, ensuring a balance between available adsorption sites and the concentration of activated intermediates. This methodology opens a perspective for the optimization of catalytic reactions under nonstationary conditions.

Keywords: artificial intelligence, catalyst, co oxidation, reinforcement learning, dynamic control

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Authors: Mangaka C. Matoetoe, Fredrick O. Okumu

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Metal nanoparticles have attracted a great interest in scientific research and industrial applications, owing to their unique large surface area-to-volume ratios and quantum-size effects. Supported metal nanoparticles play a pivotal role in areas such as nanoelectronics, energy storage and as catalysts for the sustainable production of fuels and chemicals. Monometallics (Ag, Pt) and Silver-platinum (Ag-Pt) bimetallic (BM) nanoparticles (NPs) with a mole fraction (1:1) were prepared by reduction / co-reduction of hexachloroplatinate and silver nitrate with sodium citrate. The kinetics of the nanoparticles formation was monitored using UV-visible spectrophotometry. Transmission electron microscopy (TEM) and Energy-dispersive X-ray (EDX) spectroscopy were used for size, film morphology as well as elemental composition study. Fast reduction processes was noted in Ag NPs (0.079 s-1) and Ag-Pt NPs 1:1 (0.082 s-1) with exception of Pt NPs (0.006 s-1) formation. The UV-visible spectra showed characteristic peaks in Ag NPs while the Pt NPs and Ag-Pt NPs 1:1 had no observable absorption peaks. UV visible spectra confirmed chemical reduction resulting to formation of NPs while TEM images depicted core-shell arrangement in the Ag-Pt NPs 1:1 with particle size of 20 nm. Monometallic Ag and Pt NPs reported particle sizes of 60 nm and 2.5 nm respectively. The particle size distribution in the BM NPs was found to directly depend on the concentration of Pt NPs around the Ag core. EDX elemental composition analysis of the nanoparticle suspensions confirmed presence of the Ag and Pt in the Ag-Pt NPs 1:1. All the spectroscopic analysis confirmed the successful formation of the nanoparticles.

Keywords: kinetics, morphology, nanoparticles, platinum, silver

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Authors: Bisola Stella Sonde

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Digital innovation has emerged as a pivotal driver of business transformation in the contemporary landscape. This case study research explores the dynamic interplay between digital innovation and the profound metamorphosis of businesses across industries. It delves into the multifaceted dimensions of digital innovation, elucidating its impact on organizational structures, customer experiences, and operational paradigms. The study investigates real-world instances of businesses harnessing digital technologies to enhance their competitiveness, agility, and sustainability. It scrutinizes the strategic adoption of digital platforms, data analytics, artificial intelligence, and emerging technologies as catalysts for transformative change. The cases encompass a diverse spectrum of industries, spanning from traditional enterprises to disruptive startups, offering insights into the universal relevance of digital innovation. Moreover, the research scrutinizes the challenges and opportunities posed by the digital era, shedding light on the intricacies of managing cultural shifts, data privacy, and cybersecurity concerns in the pursuit of innovation. It unveils the strategies that organizations employ to adapt, thrive, and lead in the era of digital disruption. In summary, this case study research underscores the imperative of embracing digital innovation as a cornerstone of business transformation. It offers a comprehensive exploration of the contemporary digital landscape, offering valuable lessons for organizations striving to navigate the ever-evolving terrain of the digital age.

Keywords: business transformation, digital innovation, emerging technologies, organizational structures

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Authors: Serdal Pamuk, Irem Cay

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Our model is based on the theory of reinforced random walks coupled with Michealis-Menten mechanisms which view endothelial cell receptors as the catalysts for transforming both tumor and macrophage derived tumor angiogenesis factor (TAF) into proteolytic enzyme which in turn degrade the basal lamina. The model consists of two main parts. First part has seven differential equations (DE’s) in one space dimension over the capillary, whereas the second part has the same number of DE’s in two space dimensions in the extra cellular matrix (ECM). We connect these two parts via some boundary conditions to move the cells into the ECM in order to initiate capillary formation. But, when does this movement begin? To address this question we estimate the thresholds that activate the transport equations in the capillary. We do this by using steady-state analysis of TAF equation under some assumptions. Once these equations are activated endothelial, pericyte and macrophage cells begin to move into the ECM for the initiation of angiogenesis. We do believe that our results play an important role for the mechanisms of cell migration which are crucial for tumor angiogenesis. Furthermore, we estimate the long time tendency of these three cells, and find that they tend to the transition probability functions as time evolves. We provide our numerical solutions which are in good agreement with our theoretical results.

Keywords: angiogenesis, capillary formation, mathematical analysis, steady-state, transition probability function

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Authors: Bal Chandra Yadav, Rakesh K. Sonker, Anjali Sharma, Punit Tyagi, Vinay Gupta, Monika Tomar

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In the present study, ZnO doped SnO2 thin films of various compositions were deposited on the surface of a corning substrate by dropping the two sols containing the precursors for composite (ZSO) with subsequent heat treatment. The sensor materials used for selective detection of nitrogen dioxide (NO2) were designed from the correlation between the sensor composition and gas response. The available NO2 sensors are operative at very high temperature (150-800 °C) with low sensing response (2-100) even in higher concentrations. Efforts are continuing towards the development of NO2 gas sensor aiming with an enhanced response along with a reduction in operating temperature by incorporating some catalysts or dopants. Thus in this work, a novel sensor structure based on ZSO nanocomposite has been fabricated using chemical route for the detection of NO2 gas. The structural, surface morphological and optical properties of prepared films have been studied by using X-ray diffraction (XRD), Atomic force microscopy (AFM), Transmission electron microscope (TEM) and UV-visible spectroscopy respectively. The effect of thickness variation from 230 nm to 644 nm of ZSO composite thin film has been studied and the ZSO thin film of thickness ~ 460 nm was found to exhibit the maximum gas sensing response ~ 2.1×103 towards 20 ppm NO2 gas at an operating temperature of 90 °C. The average response and recovery times of the sensor were observed to be 3.51 and 6.91 min respectively. Selectivity of the sensor was checked with the cross-exposure of vapour CO, acetone, IPA, CH4, NH3 and CO2 gases. It was found that besides the higher sensing response towards NO2 gas, the prepared ZSO thin film was also highly selective towards NO2 gas.

Keywords: ZSO nanocomposite thin film, ZnO tetrapod structure, NO2 gas sensor, sol-gel method

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Authors: P. Makendran, M. Pragadeesh, N. Narash, N. Manikandan, A. Rajasri, V. Sanal Kumar

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The growing severity of government-obligatory emissions legislation has required continuous improvement in catalysts performance and the associated reactor systems. IC engines emit a lot of harmful gases into the atmosphere. These gases are toxic in nature and a catalytic converter is used to convert these toxic gases into less harmful gases. The catalytic converter converts these gases by Oxidation and reduction reaction. Stoichiometric engines usually use the three-way catalyst (TWC) for simultaneously destroying all of the emissions. CO and NO react to form CO2 and N2 over one catalyst, and the remaining CO and HC are oxidized in a subsequent one. Literature review reveals that typically precious metals are used as a catalyst. The actual reactor is composed of a washcoated honeycomb-style substrate, with the catalyst being contained in the washcoat. The main disadvantage of a catalytic converter is that it exerts a back pressure to the exhaust gases while entering into them. The objective of this paper is to optimize the back pressure developed by the catalytic converter through geometric optimization of catalystic converter. This can be achieved by designing a catalyst with a optimum cone angle and a more surface area of the catalyst substrate. Additionally, the arrangement of the pores in the catalyst substrate can be changed. The numerical studies have been carried out using k-omega turbulence model with varying inlet angle of the catalytic converter and the length of the catalyst substrate. We observed that the geometry optimization is a meaningful objective for the lucrative design optimization of a catalytic converter for industrial applications.

Keywords: catalytic converter, emission control, reactor systems, substrate for emission control

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Authors: F. Jafari, S. GharehzadehShirazi, S. Khodabakhshi

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An efficient, simple, and environmentally benign procedure for the one-pot synthesis of dicoumarols was reported. The reaction entails the condensation of aryl glyoxals and 4-hydroxyxoumarin in the presence of catalytic amount of zinc oxide nanoparticles (ZnO NPs) as recyclable catalyst in aqueous media. High product yields and use of clean conditions are important factors of green chemistry.Part of our continued interest to achieve high atom economic reactions by the use safe catalysts. The reaction mixture was refluxed with catalytic amount (3 mol%) of zinc oxide nanoparticles.Reducing the amount of toxic waste and byproducts arising from chemical reactions is an important issue in the context of green chemistry. In comparison with commonly organic solvents, the aqueous media is cheaper and more environmentally friendly. Avoiding the use of organic solvents is an important way to prevent waste in chemical processes. In the context of green and sustainable chemistry, one ofthe most promising approaches is the use of water as the reaction media. In recent years, there has been increasing recognition that water is an attractive media for manyorganic reactions. Using water continues to attract wide attention among synthetic chemists in the design of new synthetic methods.

Keywords: zinc oxide, dicoumarol, aryl glyoxal, green chemistry, catalyst

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Authors: Maryam Kiani

Abstract:

In order to enhance the efficiency and stability of an electrocatalyst for formic acid electro-oxidation reaction (FAOR), we developed a method to create Pt/Ni nanoparticles with carbon black. These nanoparticles were prepared using a simple impregnation reduction technique. During the observation, it was found that the nanoparticles had a spherical shape. Additionally, the average particle size remained consistent, falling within the range of about 4 nm. This approach aimed to obtain a loaded Pt-based electrocatalyst that would exhibit improved performance and stability when used in FAOR applications. By utilizing the impregnation reduction method and incorporating Ni nanoparticles along with Pt, we sought to enhance the catalytic properties of the material. By incorporating Ni atoms into the Pt structure, the electronic properties of Pt are modified, resulting in a delay in the chemisorption of harmful CO intermediate species. This modification also promotes the dehydrogenation pathway of the formic acid oxidation reaction (FAOR). Through electrochemical analysis, it has been observed that the Pt3Ni-C catalyst exhibits enhanced performance in FAOR compared to traditional Pt catalysts. This means that the addition of Ni atoms improves the efficiency and effectiveness of the Pt3Ni-C catalyst in facilitating the FAOR process. Overall, the utilization of these alloy nanoparticles as electrocatalysts represents a significant advancement in fuel cell technology.

Keywords: electrocatalyst, impregnation reduction method, formic acid electro-oxidation reaction, fuel cells

Procedia PDF Downloads 126

Authors: Adrien Cornille, Marine Blain, Bernard Boutevin, Sylvain Caillol

Abstract:

Generally, linear polyurethanes (PUs) are obtained by the reaction between an oligomeric diol, a short diol as chain extender and a diisocyanate. However the use of diisocyanate should be avoided since they are generally very harmful for human health. Therefore the synthesis of NIPUs (non isocyanate PUs) from step growth polymerization of dicyclocarbonates and diamines should be favoured. This method is particularly interesting since no hazardous isocyanates are used. Thus, this reaction, extensively studied by Endo et al. is currently gaining a lot of attention as a substitution route for the synthesis of NIPUs, both from industrial and academic community. However, the reactivity of reaction between amine and cyclic carbonate is a major scientific issue, since cyclic carbonates are poorly reactive. Thus, our team developed several synthetic ways for the synthesis of various di-cyclic carbonates based on C5-, C6- and dithio- cyclic carbonates, from different biobased raw materials (glycerin isosorbide, vegetable oils…). These monomers were used to synthesize NIPUs with various mechanical and thermal properties for various applications. We studied the reactivity of reaction with various catalysts and find optimized conditions for room temperature reaction. We also studied the radical copolymerization of cyclic carbonate monomers in styrene-acrylate copolymers for coating applications. We also succeeded in the elaboration of biobased NIPU flexible foams. To the best of our knowledge, there is no report in literature on the preparation of non-isocyanate polyurethane foams.

Keywords: foam, nonisocyanate polyurethane, cyclic carbonate, blowing agent, scanning electron microscopy

Procedia PDF Downloads 232

Authors: S. S. L. Andrade, E. A. Souza, L. C. L. Santos, C. Moraes, A. K. C. L. Lobato

Abstract:

Biodiesel may be produced through transesterification reaction (or alcoholysis), that is the transformation of a long chain fatty acid in an alkyl ester. This reaction can occur in the presence of acid catalysts, alkali, or enzyme. Currently, for industrial processes, biodiesel is produced by alkaline route. The alkali most commonly used in these processes is hydroxides and methoxides of sodium and potassium. In this work, biodiesel production was conducted in two different systems. The first consisted of a batch reactor operating with a traditional washing system and the second consisted of a semi-continuous flow reactor operating with a membrane separation system. Potassium hydroxides was used as catalyst at a concentration of 1% by weight, the molar ratio oil/alcohol was 1/9 and temperature of 55 °C. Tests were performed using soybeans and palm oil and the ester conversion results were compared for both systems. It can be seen that the results for both oils are similar when using the batch reator or the semi-continuous flow reactor. The use of the semi-continuous flow reactor allows the removal of the formed products. Thus, in the case of a reversible reaction, with the removal of reaction products, the concentration of the reagents becomes higher and the equilibrium reaction is shifted towards the formation of more products. The higher conversion to ester with soybean and palm oil using the batch reactor was approximately 98%. In contrast, it was observed a conversion of 99% when using the same operating condition on a semi-continuous flow reactor.

Keywords: biodiesel, batch reactor, semi-continuous flow reactor, transesterification

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Authors: Peikun Zhang, Chunhua Cui

Abstract:

Photoelectrochemical (PEC) water splitting provides a promising pathway to convert solar energy into renewable fuels. However, the main and seemingly insurmountable obstacle is that the sluggish kinetics of oxygen evolution reaction (OER) severely jeopardizes the overall efficiency, thus exploring highly active, stable, and appreciable catalysts is urgently requested. Herein a competitive coordination strategy was demonstrated to form a reversible hybrid homo-heterogeneous catalyst for efficient OER in alkaline media. The dynamic process involves an in-situ anchoring of soluble nickel–bipyridine pre-catalyst to a conductive substrate under OER and a re-dissolution course under open circuit potential, induced by the competitive coordination between nickel–bipyridine and nickel-hydroxyls. This catalyst allows to elaborately self-modulate a charge-transfer layer thickness upon the catalytic on-off operation, which affords substantially increased active sites, yet remains light transparency, and sustains the stability of over 200 hours of continuous operation. The integration of this catalyst with exemplified state-of-the-art Ni-sputtered Si photoanode can facilitate a ~250 mV cathodic shift at a current density of 20 mA cm-2. This finding helps the understanding of catalyst from a “dynamic” perspective, which represents a viable alternative to address remaining hurdles toward solar-driven water oxidation.

Keywords: molecular catalyst, oxygen evolution reaction, solar energy, transition metal complex, water splitting

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Authors: Cahit Demetgul, Sahin Bayraktar, Neslihan Beyazit

Abstract:

Metalloenzymes are enzyme proteins containing metal ions, which are directly bound to the protein or to enzyme-bound nonprotein components. One of the major metalloenzymes that play a key role in oxidation reactions is catechol oxidase, which shows catecholase activity i.e. oxidation of a broad range of catechols to quinones through the four-electron reduction of molecular oxygen to water. Studies on the model compounds mimicking the catecholase activity are very useful and promising for the development of new, more efficient bioinspired catalysts, for in vitro oxidation reactions. In this study, a new tetradentate asymmetrical Schiff-base and its Cu(II) complex were synthesized by condensation of 4-nitro-1,2-phenylenediamine with 6-formyl-7-hydroxy-5-methoxy-2-methylbenzopyran-4-one and by using an appropriate Cu(II) salt, respectively. The prepared compounds were characterized by elemental analysis, FT-IR, NMR, UV-Vis and magnetic susceptibility. The catecholase-mimicking activity of the new Schiff Base Cu(II) complex was performed for the oxidation of 3,5-di-tert-butylcatechol (3,5-DTBC) in methanol at 25 °C, where the electronic spectra were recorded at different time intervals. The yield of the quinone (3,5-DTBQ) was determined from the measured absorbance at 400 nm of the resulting solution. The compatibility of catalytic reaction with Michaelis-Menten kinetics was also investigated. In conclusion, we have found that our new Schiff Base Cu(II) complex presents a significant capacity to catalyze the oxidation reaction of the catechol to o-quinone.

Keywords: catecholase activity, Michaelis-Menten kinetics, Schiff base, transition metals

Procedia PDF Downloads 309