Catalysis and Reaction Engineering Commons^™

Recent Advances In Silver Nanoparticle-Based Electrochemical Sensors For Determining Organic Pollutants In Water, Ziad Khalifa, Moustafa Zahran, Magdy Zahran, Magdi Abdelazzem

Chemical Engineering

Water pollutants have attracted great attention because of their negative effect on human health. Accordingly, various analytical techniques have been investigated to detect water pollutants as a preliminary step for their control. This review highlights silver nanoparticles (AgNPs) as promising electrochemical probes studied for detecting organic pollutants. Electrochemical sensors can be fabricated by modifying electrode surfaces using AgNPs via different techniques, such as electrochemical deposition, drop casting, spin coating, sticking, and transfer sticking, as well as carbon paste-based modification. AgNPs at electrode surfaces can be identified by their stripping to form Ag+ with a particular oxidation peak. Additionally, they can …

Synthesis And Research Of Silicon-Containing Phthalocyanine, Dilmurod Shukurov, Hayit Turayev, Abdulakhat Djalilov, Masud Karimov

CHEMISTRY AND CHEMICAL ENGINEERING

The aim of this study is to synthesize, and study a new form of dye based on phthalocyanine, a silicon-containing phthalocyanine pigment used as a dye for dye-sensitive solar cells, which are currently third generation solar cells as one of the energy source alternatives. To achieve this goal, a silicon-containing phthalocyanine pigment containing urea, phthalic anhydride and sodium fluorosilicate was synthesized and studied. Based on the results of IR spectroscopy, the reaction of pigment formation is proposed and the data of scanning electron microscopy is presented. Its differential thermal analysis, photodynamic analysis and its relationship with inorganic and organic solvents …

Dft Study Of NiM@Pt1AuN-M-1 (N=19, 38, 55, 79; M = 1, 6, 13, 19) Core-Shell Orr Catalyst, Wen-Jie Li, Dong-Xu Tian, Hong Du, Xi-Qiang Yan

Journal of Electrochemistry

The slow kinetics of oxygen reduction reaction (ORR) limits the performance of low temperature fuel cells. Thus, it needs to design effective catalysts with low cost. Core-shell clusters (CSNCs) show promising activity because of their size-dependent geometric and electronic effects. The ORR activity trend of Ni_m@Pt₁Au_n-m-1(n = 19, 38, 55, 79; m = 1, 6, 13, 19) was studied using the GGA-PBE-PAW methods. The adsorption configurations of *O, *OH and *OOH were optimized and the reaction free energies of four proton electron (H⁺ + e^-) transfer steps …

One-Pot Synthesis Of Fe2O3@Fe-N-C Oxygen Reduction Electrocatalyst And Its Performance For Zinc-Air Battery, Hua Lin, Yi-Jin Wu, Jun-Tao Li, Yao Zhou

Journal of Electrochemistry

Oxygen reduction reaction (ORR) plays a profound role in determining cathode performance in metal-air batteries and fuel cells. Owing to its inherently sluggish kinetics, high-performance ORR catalysts which favors the scissoring of O-O bond and formation of O-H bond are a requisite. In this regard, Pt has been explored as the most efficient ORR electrocatalysts. Nevertheless, due to its expensiveness, the usage of Pt catalysts represents one of the major sources of cost in those energy conversion devices. Thus, the development of alternative ORR electrocatalysts with minimized Pt utilization has been widely pursued over the past few decades. Metal-nitrogen-carbon catalysts …

Preparation And Electrochemical Evaluation Of Mos2/Graphene Quantum Dots As A Catalyst For Hydrogen Evolution In Microbial Electrolysis Cell, Hong-Yan Dai, Hui-Min Yang, Xian Liu, Xiu-Li Song, Zhen-Hai Liang

Journal of Electrochemistry

Microbial electrolysis cell (MEC) is a relatively new bioelectrochemical technology that produces H₂ and meanwhile treats organic wastewater. Cathode hydrogen evolution catalyst plays a key role in MEC. The doping of Graphene Quantum Dots (GQDs) into MoS₂ nanosheets can improve the catalytic activity of MoS₂ by creating abundant defect sites both in the edge plane and the basal plane, as well as enhancing the electrical conductivity. In this paper, using Na₂MoO₄ , cysteine and GQDs as raw materials, a series of MoS₂/GQDs composites were firstly synthesized via hydrothermal method, and then loaded …

Preparation Of Coo/Rgo@Ni Foam Electrode And Its Electrocatalytic Reduction Of Co2, Qian Guo, Jia-Long Fu, Cheng-Yan Zhang, Chao-Yue Cai, Cheng Wang, Li-Hua Zhou, Rui-Bo Xu, Ming-Yan Wang

Journal of Electrochemistry

The worldwide extensive release of carbon dioxide (CO₂) has caused serious environmental pollution and unprecedented climate change problems. Thus, for the sustainable development of human society, it is very necessary to convert CO₂ to renewable fuels through clean and economical processes. The electrochemical CO₂ reduction reaction (CO₂RR) is regarded as a promising approach for the recycling of carbon resource and the generation of sustainable fuels. However, the slow kinetics and formation of multiple products in CO₂RR hinder its large-scale application. Hence, great research efforts are made to develop electrocatalysts with high product …

Engineering The Surface Of Fe3o4 Nanoparticles For Catalytic And Magnetic Applications, Natalia Da Silva Moura

LSU Doctoral Dissertations

With the rapid depletion of the U.S. energy resources coupled with population growth, heat management technologies must be improved to sustain our quality of life. Precisely, in catalysis, it is estimated that only ~50% of the energy supplied to the reactor is used for product conversion due to dissipation losses. Among the emerging technologies with a promising reduction in heat losses is induction heating, offering targeted heat delivery with magnetic nanoparticles. Under alternating magnetic fields (AMF), these nanoparticles can absorb the energy from Radio-Frequency (RF) fields and dissipate it as heat on the nanoparticle surface. This in situ heat generation …

Gum Arabic-Capped Silver Nanoparticles For Electrochemical Amplification Sensing Of Methylene Blue In River Water, Ziad Khalifa, Moustafa Zahran, Magdy Zahran, Magdi Abdelazzem

Chemical Engineering

Herein, a novel electrochemical amplification sensor is developed for detecting methylene blue (MB) us- ing gum Arabic-capped silver nanoparticles (AgNPs) for the first time. Gum Arabic-AgNPs were fabricated via a direct chemical reduction technique using silver nitrate as an AgNPs precursor and gum Arabic as a reducing and capping agent. They were characterized using ultraviolet-visible (UV–Vis) spectrophotom- etry, square wave voltammetry (SWV), and transmission electron microscopy (TEM). UV–Vis and SWV results show the characteristic absorption and electrochemical oxidation peaks of the AgNPs at 431 nm and 0.18 V, respectively. Additionally, TEM images of the AgNPs show that they are spherical …

Direct Activation Of Light Alkanes To Value-Added Chemicals Using Supported Metal Oxide Catalysts, Md Ashraful Abedin

LSU Doctoral Dissertations

One of the most challenging aspects of modern-day catalysis is the conversion of methane. Direct conversion of methane via dehydroaromatization (MDHA) is a well-known process which can produce valuable hydrocarbons. Mo oxide supported on ZSM-5/MCM-22 has been studied extensively in recent years for MDHA. Mo carbides are responsible for activating methane by forming CHx species. These are dimerized into C2Hy and oligomerized on ZSM-5/MCM-22 Brønsted acid sites to form aromatics. Sulfated zirconia (SZ) supported Mo catalyst contains the acid sites necessary to produce benzene in MDHA. Here, sulfated hafnia (SH), a homologous oxide like SZ, has been proposed to provide …

Modified Electrode Surfaces With Hydrogen Evolution Reaction Catalysts Derived From Electropolymerized Complexes With Redox Active Ligands., Amanda Mae Arts

Electronic Theses and Dissertations

The demand for energy is growing exponentially, and to keep up with these demands new technologies for renewable energy have received increased attention. Hydrogen is one of the most promising energy sources for the future and plays a vital role in water electrolysis and fuel cells, as the hydrogen evolution reaction (HER) is the main step in the water splitting process. To increase the reaction rate and improve efficiency for the water electrolysis, catalysts are used to minimize the overpotential.

Most of the current electrocatalysts for HER are heterogeneous in nature and are dominated by platinum and other precious metals …

Rheological Properties Of Aged Crude Hard Wood Pyrolysis Oil, Divina D. Kaombe

Tanzania Journal of Engineering and Technology (TJET)

Upon storage of the pyrolysis oil, aging reactions may initiate phase separation and change of the rheological properties. These changes lead to unfavourable fuel characteristics in handling, transportation and applications. Efforts have been made for alleviation including methods on how to avoid these aging effects and development of equipment capable of handling aged pyrolysis liquids with unfavourable fuel characteristics. Therefore, the aim of this study was to explore the rheological properties of phase separated pyrolysis liquid fuel. Two batches of a well – stored poplar wood pyrolysis oils were used for the investigation; one batch was diluted with water to …

Investigation Of Iron-Nickel Based Nanoparticles As Catalysts For Oxygen Evolution Reaction (Oer), Prashant Acharya

Graduate Theses and Dissertations

Hydrogen fuel is increasingly seen as an appealing alternative by both the scientific and the industrial communities in the drive towards a clean energy future. Hydrogen, unlike fossil-based fuels, does not release carbon dioxide, a chief component of greenhouse gases, upon combustion. However, more than 95% of the hydrogen in the world is still produced by burning fossil fuels as this method is currently the only economically feasible option at a large industrial scale.

Water electrolysis shows a lot of potential in both hydrogen generation and in the storage of energy from renewable sources such as wind and sunlight. Likewise, …

A Portable Point-Of-Care Device Using Joule Heating And Latent Energy Storage For The Temperature Regulation Of Isothermal Nucleic Acid Amplification Tests, Aubrey Lynn Schultz

Graduate Theses and Dissertations

Accurate and early diagnosis of infectious diseases extremely important. Rapid diagnosis allows for effective treatment and increases the chance for recovery without complications. Additionally, the ability to test the populace frequently, swiftly, and affordably significantly aids in containing wide-scale outbreaks. In terms of specificity and sensitivity, nucleic acid amplification tests (NAAT) are one of the best options for diagnosing infectious diseases. Isothermal NAATS present a unique opportunity to create diagnostic tests deployed at a Point-of-Care (POC) level. Specifically, loop-mediated isothermal amplification (LAMP) and recombinase polymerase amplification (RPA) have the potential to deliver reliable POC diagnostics in low-resource settings. When designing …

Electrochemical Deposition In Energy Storage Devices, Witness Atutala Martin

Graduate Theses and Dissertations

Metals, whether in a solid or soluble ion form, are a vital part of any electrochemical storage system. More so, Li metal is widely considered as the ideal anode because of its low density and low electrochemical potential (-3.04 V vs. the standard hydrogen electrode – SHE). However, just like most metals, it does not plate or strip evenly during cycling which can lead to cycling performance issues, short cycling lifespans, and even safety concerns brought about by dendrites that can cause internal short-circuiting within cells. This research focused on investigating the electroplating of metals in both aqueous and non-aqueous …

Preparation Of Co1-XS-Mns@Cnts/Cnfs For Electrocatalytic Oxygen Reduction Reaction, Fang-Yan Liu, Qian Zhang, Yue-Kun Li, Feng Huang, Meng-Ye Wang

Journal of Electrochemistry

As an important cathode reaction in fuel cells and metal-air batteries, oxygen reduction reaction (ORR) is a complex reaction of slow kinetics, which severely limits performances of fuel cells and metal-air batteries. Therefore, it is of key importance to find an efficient and stable electrocatalyst to promote ORR. Carbon-based materials, which possess high conductivity, good stability and large specific surface area, are usually used in electrocatalytic ORR. However, pure carbon-based materials exhibit low efficiency. Coupling carbon-based materials with manganese (Mn) and cobalt (Co) transition metals containing 3d orbitals is an effective way to improve electrocatalytic performance. Herein, carbon nanofibers containing …

Synthesis And Electrochemical Study Of Cuau Nanodendrites For Co2 Reduction, Dylan Siltamaki, Shuai Chen, Farnood Rahmati, Jacek Lipkowski, Ai-Cheng Chen

Journal of Electrochemistry

The conversion of carbon dioxide (CO₂) to carbon monoxide (CO) and other value-added products is an interesting approach for carbon-containing fuel synthesis using renewable and clean energy. The electrochemical reduction of CO₂ is one of the promising strategies for the storage of intermittent renewable energy resources. The development of electrocatalysts with high activity and stability is vital in the electrochemical CO₂ reduction process. In this study, copper and gold alloyed (CuAu) electrodes with nanodendritic structures were synthesized using a facile electrodeposition method. The CuAu nanodendrites with the atomic ratio of Cu to Au being approximately 1:1 …

Recent Advances In Glycerol Electrooxidation On Pt And Pd: From Reaction Mechanisms To Catalytic Materials, Wei-Yi Zhang, Xian-Yin Ma, Shou-Zhong Zou, Wen-Bin Cai

Journal of Electrochemistry

The conversion of glycerol to value-added products has received considerable attention recently because the booming biodiesel industry produces a large amount of glycerol as a byproduct. Among various means, electrocatalytic oxidation of glycerol is appealing owing to its environmental friendliness and high efficiency. However, electrooxidation of glycerol is very complex, involving multiple electron and proton transfer processes with many reaction pathways. How to rationally design catalysts with high selectivity toward targeted products is an overarching challenge, and of both fundamental and practical significance. In this minireview we aim to provide an overview of recent advancements in electrooxidation of glycerol focusing …

Synthesis Of Aromatic Acetylene Alcohols Using Complex Catalytic Systems, Odiljon Ziyadullaev, Guzal Otamukhamedova, Abduvakhab Ikramov, Saida Abdurakhmanova, Otabek Boytemirov

CHEMISTRY AND CHEMICAL ENGINEERING

Some cyclic ketones (cyclopentanone, cyclohexanone, 2-methylcyclohexanone, menthol, camphor and adamantanone) enantioselective alkynylation reactions with phenylacetylene have been studied in the presence of complex catalytic systems - Zn(OTf)₂/NЕt₃/MeCN, 3,3′-Ph₂BINOL-2Li/TGF and BuLi/KO^tBu/TGF. Synthesis were performed new aromatic acetylene alcohols – 1-(2-phenylathinyl) cyclopentanol (1), 1-(2-phenylethinyl)cyclohexanol (2), 2-methyl-1-(2-phenylethinyl)cyclohexanol (3), 2-isopropyl-5-methyl-1-(2-phenylethinyl)cyclohexanol (4), 1,7,7,-trimethyl-2-(2-phenylethinyl)bicyclo [2.2.1] heptanol-2 (5) and 2-phenylethinyltricyclo [3,3,1.0^3,7]nonanol-2 (6). Synthesis reactions of aromatic acetylene alcohols, activation energies were determined, kinetic of chemical changes and reaction mechanisms were proposed. The course of the reactions and the effect of the selected ketone molecule size, structure and …

Heterogeneous Catalytic Conversions Of Acetylene, Abduvakhab Ikramov, Sevara Kholikova, Noryigit Musulmanov

CHEMISTRY AND CHEMICAL ENGINEERING

The reactions of interaction of acetylene with water vapor, acetic acid and ammonia in the presence of heterogeneous catalysts have investigated. Depending on the nature of the starting components used, acetaldehyde and acetone, vinyl acetate, pyridine bases and pyrrole synthesized. Heterogeneous catalysts selected for each studied reaction based on some scientific prerequisites for the selection of catalysts. Active catalysts for the investigated reactions were determined, which contain compounds of cadmium, zinc, bismuth, chromium, iron and copper, in general, d-group metals. γ-Al₂O₃, bentonite and kaolin used as a catalyst carrier. Hydrofluoric acid, acetic acid, ammonium fluoride and …

Investigative Study Of Microalgal And Electrochemical Wastewater Treatment Systems And Modeling Of The Wafer-Enhanced Electrodeionization Using Supervised Learning, Humeyra Betul Ulusoy Erol

Graduate Theses and Dissertations

Wastewater has a serious impact on environment and public health due to its high concentration of nutrients and toxic contaminants. Without proper treatment, excess nutrients discharged in wastewater can cause a damage to the ecosystem such as undesirable pH shifts, cyanotoxin production, and low dissolved oxygen concentrations.

Main objectives of this dissertation work were to investigate i) the biofuel potential of P. cruentum when grown in swine wastewater, ii) the influence of four most commonly used ion exchange resins on the system efficiency and selectivity for the removal of sodium, calcium, and magnesium ions, and iii) the modeling of wafer-enhanced …

Economic Feasibility Of A Methanol To Dimethyl Ether Production Process To Avoid Contract Failure Shortfalls From The Covid-19 Pandemic, Jacob Noll, Robert Wasson, Harrison Mckinnis

Honors Theses

Our team entered the 2021 AVEVA Academic Competition, where teams of undergraduate senior chemical engineering students competed across the country. The competition was composed of two parts: the base case design and the optimization of a chemical process. As part of the competition, our team is acting as the Engineering team for a fictional company that has given us this project. Due to COVID-19, our methanol producing company has lost a contract with a customer, leaving 23,000 tonnes/yr of unclaimed methanol. We have two choices with this methanol: either sell the methanol on the market at the spot price for …

Design Of An Undergraduate Laboratory Experiment Utilizing A Stirred-Tank, Jacketed Bioreactor, Brennen Middleton

Honors Theses

Bioreactors are utilized in many industries, such as the food, alternative fuel, and pharmaceutical industries, to design and manufacture products. Unlike the similar chemical batch reactors utilized in many chemical processing facilities, bioreactor utilization requires engineers to consider a wider range of operating conditions and parameters. This results in a more complex reaction system and controls network. Due to this, it is imperative for chemical and biomedical engineering students to not only understand the theory surrounding these reactor systems, but also understand how to properly design and perform operating procedures with these systems. Thus, it was determined to create an …

Ethylbenzene Production Case Study And Optimization, Brandon Borek

Honors Theses

The objective of this project was to investigate the process of producing ethylbenzene from the liquid-phase reaction of ethylene and benzene and perform parametric and topological optimizations to increase the net present value of the production facility. To do so, the base case conditions of the process were modeled and quantified economically followed by an investigation into the existing process to determine conditions that could be altered to improve the economic viability of the project. After optimizing the parametric conditions and topology of the process, the net present value of the project was increased by 305 million dollars to 191 …

Design And Analysis Of A Process To Convert Methanol Into Dimethyl Ether, Elisa M. White

Honors Theses

A recent economic downturn led to the loss of a contract for a company that sells methanol. The company has two options to recover some of the profit lost from the contract termination. One option is to sell the excess methanol at the spot market price, and the second option is to implement a process to convert the excess methanol into dimethyl ether. This project investigated the implementation of a process to convert the methanol from the lost contract into dimethyl ether. The process was simulated in AVEVA Process Simulation to estimate the size of equipment needed. A toller provided …

Application Of Atomically Precise Metal Nanoclusters In Electrocatalysis, Zhi-Hua Zhuang, Wei Chen

Journal of Electrochemistry

Metal nanoclusters (M NCs) consist of only several to a few hundred of metal atoms and possess core sizes less than 2 nm. Owing to the quantum size effect, the electronic states of M NCs evolve to discrete levels similar to the molecule energy gaps, other than a continuous density of states to produce plasmon characteristic of bulk metal nanoparticles (M NPs). In comparison with the conventional M NPs, M NCs exhibit dramatically unique electronic and optical properties, such as molecule-like energy gaps, strong photoluminescence and high catalytic properties, which make them promising for potential application in numerous fields, such …

Oxygen-Exposure Induced Rapid Oxidation Of Spiro-Ometad In Cspbibr2 Perovskite Solar Cells, Wei-Guo Wang, Tian Bai, Gao-Fei Xue, Mei-Dan Ye

Journal of Electrochemistry

2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenyl-amine)-9,9′-spirobifluorene (Spiro-OMeTAD) is the most widely used hole transport material in perovskite solar cells (PSCs). However, its oxidation in the air takes a long time and results in the attack of perovskite by water. In this regard, we performed the oxidation process of Spiro-OMeTAD in oxygen, where perovskite can be protected from water, guaranteeing the integrity of perovskite. It was demonstrated that the champion Spiro-OMeTAD based CsPbIBr₂ PSCs after oxygen oxidation achieved a 7.19% power conversion efficiency (PCE), showing a higher PCE than 6.29% of the champion device oxidized in air. A series of electrochemical characterization methods were applied …

Theoretical Studies Of Metal-N-C For Oxygen Reduction And Hydrogen Evolution Reactions In Acid And Alkaline Solutions, Xue-Ping Qin, Shang-Qian Zhu, Lu-Lu Zhang, Shu-Hui Sun, Min-Hua Shao

Journal of Electrochemistry

Single atom catalysts (SAC) have been regarded as the promising alternatives to platinum group metals due to their low costs and potentially high catalytic activities in various electrocatalytic reactions. The atomic mechanism understanding of activity discrepancy among different metal and nitrogen co-doped carbon-based catalysts is still lacking. Here, non-precious metal and nitrogen co-doped carbons (Me-N-C, Me = Fe and Co) as the model catalysts are investigated by combining experimental and theoretical studies to explore the catalytic activities and corresponding reaction mechanisms toward oxygen reduction reaction (ORR) and hydrogen evolution reaction (HER) at universal pHs. Atomic theoretical simulations suggest that Fe-N-C …

Pd-Based Electrocatalysts For Oxygen Reduction And Ethanol Oxidation Reactions: Some Recent Insights Into Structures And Mechanisms, Zhi-Peng Wu, Chuan-Jian Zhong

Journal of Electrochemistry

The development of efficient electrocatalysts for applications in fuel cells, including proton-exchange membrane fuel cell (PEMFC) and direct ethanol fuel cell (DEFC), has attracted extensive research attention in recent years. Oxygen reduction reaction and ethanol oxidation reaction are two of the key reactions where the design of active, stable and low-cost electrocatalysts is critical for the mass commercializations of PEMFCs and DEFCs. This challenge stems largely from the limited understanding of the catalyst structures and reaction mechanisms. Progress has been made in investigations of electrocatalysts derived from Pd-based alloy nanomaterials both experimentally and computationally. We highlight herein some of the …

Synthesis Of Some N-Oxides Of Pyridylacethylene Amines Based On 2-Methyl-5-Ethynylpyridine, Abduvakhab Ikramov, Odiljon Ziyadullayev, Adkham Khamidjanov, Shavkat Bojariev, Davron Khandamov

CHEMISTRY AND CHEMICAL ENGINEERING

The aim of this work is to study the reaction of 2-methyl-5-ethynylpyridine N-oxide with some aliphatic and aromatic amines to obtain N-oxides of pyridylacetylenic amines. 2-Methyl-5-ethylpyridine converted to 2-methyl-5-vinylpyridine by dehydrogenation, and 2-methyl-5-ethynylpyridine obtained by bromination and dehydrobromination. 2-methyl-5-ethynylpyridine N-oxide synthesized by oxidation of 2-methyl-5-ethynylpyridine with perhydrol in acetic anhydride. The synthesis of N-oxides of pyridylacetylenic amines by the Mannich reaction carried out. The effect of the solvents: methanol, ethanol and n-dioxane, the catalyst, and the reaction time on the yield of the final product studied. The structure and composition of the synthesized PAA N-oxides were established using IR and …

The Role Of Hydrogen Bonds In Diluted Ethanol Solutions Of Cyclohexane And Dimethylformamide, Dilbar Bozorova, Shukur Gofurov, Mavlonbek Ziyayev, Dildora Mirtojiyeva, Odina Ismanova, Oksana Ismoilova

CHEMISTRY AND CHEMICAL ENGINEERING

The refractometric method and Fourier transform infrared spectroscopy were used to determine the optical features of the concentration characteristics of diluted ethanol solutions of cyclohexane and dimethylformamide. It was found for the first time that at some concentrations the hydrogen bond is stronger than for a pure ethanol solution. The first maximum of the excess refractive index of solutions is formed at a concentration of 0.02 mole fraction of cyclohexane and dimethylformamide, which is in good correlation with IR spectroscopy, indicating the largest number of formed hydrogen bonds.