Chemical Engineering Commons^™

Coulombic And Non-Coulombic Effects Of Single And Overlapping Electric Double Layers With Surface Charge Regulation, Raviteja Vangara

Chemical and Biological Engineering ETDs

The physical origin of charged interfaces involving electrolyte solutions is in the thermodynamic equilibrium between the surface reactive groups and certain dissolved ionic species in the bulk. This equilibrium is very strongly dependent on the precise local density of these species, also known as potential determining ions in the solution. The latter, however, is determined by the overall solution structure, which is dominated by the large number of solvent molecules relative to all solutes. Hence, the solvent contribution to the molecular structure is a crucial factor that determines the properties of electric double layers. Models that explicitly account for the …

Zirconia-Based Compositions For Use In Passive NoX Adsorber Devices, Deborah Jayne Harris, David Alastair Scapens, John G. Darab, Mark Crocker, Yaying Ji

Chemistry Faculty Patents

A passive NO_x adsorbent includes: palladium, platinum or a mixture thereof and a mixed or composite oxide including the following elements in percentage by weight, expressed in terms of oxide: 10-90% by weight zirconium and 0.1-50% by weight of least one of the following: a transition metal or a lanthanide series element other than Ce.

Although the passive NO_x adsorbent can include Ce in an amount ranging from 0.1 to 20% by weight expressed in terms of oxide, advantages are obtained particularly in the case of low-Ce or a substantially Ce-free passive NO_x adsorbent.

Development Of A Comsol Microdialysis Model, Towards Creation Of Microdialysis On A Chip With Improved Geometries And Recovery, Patrick Pysz

Graduate Theses and Dissertations

Microdialysis (µD) sampling is a diffusion-limited sampling method that has been widely used in different biomedical fields for greater than 35 years. Device calibration for in vivo studies is difficult for current non-steady state analytes of interest correlated with both inflammatory response and microbial signaling molecules (QS); which exist in low ng/mL to pg/mL with molecular weights over a wide range of 170 Da to 70 kDa. The primary performance metric, relative recovery (RR), relating the collected sample to the extracellular space concentration varies from 10% to 60% per analyte even under controlled bench-top conditions. Innovations in microdialysis device design …

Interfacial Contact With Noble Metal - Noble Metal And Noble Metal - 2d Semiconductor Nanostructures Enhance Optical Activity, Ricardo Raphael Lopez Romo

Graduate Theses and Dissertations

Noble metal nanoparticles and two-dimensional (2D) transition metal dichalcogenide (TMD) crystals offer unique optical and electronic properties that include strong exciton binding, spin-orbital coupling, and localized surface plasmon resonance. Controlling these properties at high spatiotemporal resolution can support emerging optoelectronic coupling and enhanced optical features. Excitation dynamics of these optical properties on physicochemically bonded mono- and few-layer TMD crystals with metal nanocrystals and two overlapping spherical metal nanocrystals were examined by concurrently (i) DDA simulations and (ii) far-field optical transmission UV-vis spectroscopic measurements. Initially, a novel and scalable method to unsettle van der Waals bonds in bulk TMDs to prepare …

Theoretical Investigations Of The Electronic, Magnetic, And Thermoelectric Properties Of Transition-Metal Based Compounds, Haleoot Edaan Raad

Graduate Theses and Dissertations

The electronic, magnetic, and thermoelectric properties of transition-metal based compounds were investigated by using the density functional theory and Boltzmann transport formalism. It was found that the Co-based Heusler compounds and InSe monochalcogenide are among the materials that may be used for future thermoelectric devices. Furthermore, the investigation showed that the quaternary Heusler compounds, such as, CoFeYGe, where Y is Ti or Cr, are half-metallic ferromagnetic materials with full electron spin polarization. The lattice thermal conductivity (κL) was found to decrease for these alloys as the temperature increases. The present investigation indicated that the phonon optical modes have a major …

Development Of Forward Osmosis Based Separations: A Novel Approach In Membrane Technology, Yu-Hsuan Chiao

Graduate Theses and Dissertations

Tackling the worldwide severe water shortage, the membrane technology is considered to be the most efficient approach and hence, used widely as a cost-effective sustainable solution. “Forward osmosis (FO)” has been the major attention in recent time. FO uses osmotic pressure as the driving force to draw the water passing the membrane and achieve the desired separation performance. In general, it is considered to be a process with tremendous potential to resolve the present-day water shortage with extremely low energy consumption. However, the challenges of membrane and draw solution regeneration associated with FO processes must be conquered prior to their …

Breaking Coastal Hypoxia: Destratification Of Gulf Of Mexico Deadzone To Encourage Oxygen Transport Downwards To Maintain Marine Fauna, Veda Thipparthi

LSU Master's Theses

As a consequence of seasonal eutrophication and human input, a vast hypoxic area termed The Dead Zone develops every year in the Gulf of Mexico (GOM) during summer along the Louisiana coastline characterized by vertical seawater density-stratification with oxygen concentrations less than 2 mg.l^-1 at the seafloor. It poses a threat to bottom-dwelling faunae and their environment which has negative ecological and economic consequences. This project aims to mitigate hypoxia by employing mechanical impellers placed at strategic water depths and locations in the Gulf. Enhanced transport of oxygen results by mixing oxygen-enriched seawater at the surface, downward into the …

The Effects Of Temperature On The Yields Of Aliphatic And Aromatic Products From The Supercritical Pyrolysis Of 1-Octene, Elizabeth Anne Hurst

LSU Doctoral Dissertations

Prior to their combustion, fuels for future high-speed aircraft are expected to experience supercritical conditions, leading to the production of polycyclic aromatic hydrocarbons (PAH), precursors to solid carbonaceous deposits, via pyrolytic reactions. These solid deposits can clog fuel-transfer lines, causing unsafe aircraft operation. To prevent the formation of fuel-line deposits, it is critical to understand the reaction pathways that lead to PAH formation in the supercritical fuel pyrolysis environment.

To better understand the role of large 1-alkenes in PAH formation, supercritical pyrolysis experiments with model fuel 1-octene, a representative 1-alkene product from supercritical n-alkane pyrolysis, have been performed. The …

Amélioration De La Justesse Des Modèles D’Hygiène Du Travail Utilisés Pour Estimer Des Expositions Professionnelles À Des Vapeurs De Solvants, Spéro Abattan, Stéphane Hallé, Daniel Drolet, Ali Bahloul, Patrick Eddy Ryan, Wejden Chouchene, Carlos Castro Ruiz, Jérôme Lavoué, Maximilien Debia

Rapports de recherche scientifique

Chaque année, des travailleurs québécois subissent des effets sur leur santé après avoir été exposés à des substances chimiques, notamment à des solvants. La modélisation des expositions professionnelles occupe une place importante dans la prévention des risques. Cette recherche vise à étudier différents aspects de la modélisation pour estimer des expositions professionnelles à des vapeurs de solvants dans le but d’en améliorer la justesse de prédiction. Le travail de recherche a été effectué en deux volets. Grâce à la mise en œuvre de tests à petite échelle (volet I) et à échelle humaine (volet II), les travaux présentés dans cette …

Effects Of Reservoir Conditions And Trace Co-Contaminant Gases On Geological Carbon Sequestration, Ram Kumar

USF Tampa Graduate Theses and Dissertations

Geological carbon sequestration in a saline formation is a promising technology for large-scale carbon dioxide (CO2) mitigation. Several factors such as temperature, pressure, salinity, hydraulic conductivity, and mineralogy of a formation affect the CO2 sequestration in saline formations. These factors can vary widely depending upon the type of formation or the degree of heterogeneity within a formation. In addition to these properties of the repositories, the CO2-rich flue gas streams captured from point sources often contains small amounts of impurities such as sulfur oxides (SOx) and nitrogen oxides (NOx), which may have serious implications on the chemistry of the repositories …

Decorative Articles Based On Polymeric Materials, Yaser M. Asal Mr., M. A. Radwan, Hany A. Elazab Dr, Bassant Hussein, Mohamed A. Sadek

Chemical Engineering

The aim of the research is to create decorative articles based on polymeric materials, study the effects of fillers and the type of moulds that it can cope with the exothermic reaction nature of resin to create a scientific background on the usage of the resins in daily life products. The polymeric materials that will be concentrated on are the unsaturated polyester resins and epoxy resins. The unsaturated polyester is of many types and chemical constituents, the used experimentally is a general-purpose type and the epoxy also have different types and the used is a commercially 3D floor coating type. …

Extraction And Visualization Of Orientation Data From Virtual Geologic Surfaces With Matlab®, Avery J. Welker, John Patrick Hogan, Andreas Eckert

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

High-resolution visualization of surfaces of geologic interest, at a multitude of scales, using 3D point cloud technologies provides an opportunity to analyze spatial relationships of surfaces using orientation data. We present a MATLAB® script that produces planar geologic attitude data (e.g., strike, dip, and dip-direction data) from 3D datasets (e.g., point clouds, 3D scanning). The method utilizes Cartesian coordinates of triangular planar surfaces and converts them into matrices of conventional geologic attitude data. Spatial relationships among data points can be investigated, using polar tangent diagrams, stereographic analysis, or geologic curvature analysis. We utilize this script to create "synthetic" graphical plots …

Primary Homogeneous Pathways Of Lignin Depolymerization In Gas Phase, Mohamad Barekati-Goudarzi

LSU Doctoral Dissertations

The unique decomposition pathways of hydrolytic lignin (HL) dissolved in acetone/water mixture and dispersed into gas phase has been investigated using two unique reactors. The first one is a non-isothermal continuous wave-IR CO₂ Laser Powered Homogeneous Pyrolysis (LPHP) and the second one is an isothermal Continuous Droplet Evaporation (CDE) reactor. Both of these reactors operated using atmospheric N₂ carrier gas. A temperature region of 400 – 550°C, and various residence time of 0.12-2 sec were chosen for CDE reactor. The temperature distribution in the LPHP reactor was evaluated via thermocouple measurements and validated by the method of “chemical …

Three-Dimensional Porous Vn Octahedron Catalyst With High Electrocatalytic Efficiency Toward Hydrogen Evolution Reaction, Can Yin, Wei-Wei Fu, Ling Fang, Shi-Li You, Hui-Juan Zhang, Yu Wang

Journal of Electrochemistry

With the rapid development of China’s economy, the demand for energy is increasing, and environmental problems are becoming more and more serious. The development and utilization of highly-clean new energy fuel can effectively alleviate the energy crisis and environmental pollution. Nowadays, exploring high-efficiency, environment-friendly and low-cost catalysts remains the focus of research in the hydrogen evolution reaction (HER). In this research, firstly, we proposed a three-dimensional porous vanadium nitride (VN) with octahedral structure, which was prepared by a calcination treatment method. The VN catalyst showed a good electrocatalytic activity toward HER, involving a small overpotential of 94.0 mV at -10 …

Influences Of Morphology And Nitrogen Doping On The Electrocatalytic Characteristics For Oxygen Reduction Reaction Of Nio/Rgo, Dong Liang, Heng-Yi Fang, Shuo Yao, Jie-Mei Yu, Zhao-Liang Zhang, Zhan-Kun Jiang, Xue-Ping Gao, Tai-Zhong Huang

Journal of Electrochemistry

In this research, the reduced graphene oxide (rGO) supported sheet-like NiO (NiO/rGO) and spherical-like NiO (NiO/N-rGO) catalysts for oxygen reduction reaction (ORR) were prepared. The structures, morphologies and chemical states of the two catalysts were characterized by X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The electrochemical catalytic performance of the two catalysts for ORR were investigated by cyclic voltammetry (CV), Tafel, linear sweeping voltammetry (LSV), rotating disc electrode (RDE) and rotating ring disc electrode (RRDE) tests. Electrochemical results showed that the current density and onset potential (about 0.89 V) …

Special Issue: Electrocatalysis And Fuel Cells, Shuangyin Wang

Journal of Electrochemistry

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Pd Nanoparticles Supported On The Etched Ni Foams As High-Performance Electrocatalysts For Direct Ethanol Fuel Cells, Chi Zhang, Cheng-Fei Li, Gao-Ren Li

Journal of Electrochemistry

The development of non-Pt anode electrocatalysts with high activity and long-term durability at low cost for fuel cells still remains enormous challenge. Here we report the Pd nanoparticles supported on Ni foams etched by the mixed acids (HNO₃+H₂SO₄+H₃PO₄+CH₃COOH) (Pd/ME-NF) that are designed and fabricated as high-performance electrocatalysts for ethanol oxidation in alkaline media. Because of the advantages of large open space, fast electrolyte penetration/diffusion and rapid electron transfer process, the Pd/ME-NF catalysts exhibited significantly improved electrocatalytic activity and durability compared with the commercial Pd/C catalysts.

A Facile Route To Synthesize Pt-Wo3 Nanosheets With Enhanced Electrochemical Performance For Her, Peng-Jie Jiang, Yi Lv, Chang-Miao Chen, Hong-Cheng He, Yong Cai, Ming Zhang

Journal of Electrochemistry

Platinum-tungsten trioxide (Pt-WO₃) nanosheets were synthesized on nickel foams (NFs) directly. As great conductive networks, NFs substrates could greatly improve the electrode performance of WO₃. The modified platinum nanoparticles not only enhanced the electron transformation of catalysts, but also increased the active sites for hydrogen evolution reaction (HER). Pt-WO₃/NF revealed a better catalytic activity than WO₃/NFs with a smaller Tafel slope (80 mV·dec^-1) and a lower overpotential of 72 mV at the current density of 10 mA·cm^-2. In addition, Pt-WO₃/NF showed great durability and stability during …

Computationally Aided Design Of A High-Performance Organic Semiconductor: The Development Of A Universal Crystal Engineering Core, Anthony J. Petty Ii, Qianxiang Ai, Jeni C. Sorli, Hamna F. Haneef, Geoffrey E. Purdum, Alex M. Boehm, Devin B. Granger, Kaichen Gu, Carla Patricia Lacerda Rubinger, Sean R. Parkin, Kenneth R. Graham, Oana D. Jurchescu, Yueh-Lin Loo, Chad Risko, John E. Anthony

Chemistry Faculty Publications

Herein, we describe the design and synthesis of a suite of molecules based on a benzodithiophene “universal crystal engineering core”. After computationally screening derivatives, a trialkylsilylethyne-based crystal engineering strategy was employed to tailor the crystal packing for use as the active material in an organic field-effect transistor. Electronic structure calculations were undertaken to reveal derivatives that exhibit exceptional potential for high-efficiency hole transport. The promising theoretical properties are reflected in the preliminary device results, with the computationally optimized material showing simple solution processing, enhanced stability, and a maximum hole mobility of 1.6 cm² V⁻¹ s⁻¹.

Catalytic Transfer Hydrogenation Reactions Of Lipids, Alexander Asiedu

Civil & Environmental Engineering Theses & Dissertations

Catalytic transfer hydrogenation (CTH) of lipids was investigated using 2-propanol as hydrogen donor for producing liquid hydrocarbons, e.g. jet fuels. The main sources of lipids selected in this study were waste cooking oil (WCO) and oil-laden algae-derived biofuel intermediate (BI). Two different catalysts were employed in this study, namely activated carbon and trimetallic-doped zeolite.

The CTH reaction was between WCO and 2-propanol in a continuous flow reactor over a packed-bed activated carbon at near atmospheric pressure. Results revealed a high level of alkenes and aromatics compounds, which are not stable and are not environmentally unfriendly. To reduce these compounds in …

Antibacterial Properties Of Mussel-Inspired Polydopamine Coatings Prepared By A Simple Two-Step Shaking-Assisted Method, Pegah Kord Fooroshani, Elizabeth Polega, Kevin Thomson, Mohammad Saleh Akram Bhuiyan, Rattapol Pinnaratip, Mikhail Trought, Chito E. Kendrick, Yuesheng Gao, Kathryn Perrine, Lei Pan, Bruce P. Lee

Michigan Tech Publications, Part 1

A simple two-step, shaking-assisted polydopamine (PDA) coating technique was used to impart polypropylene (PP) mesh with antimicrobial properties. In this modified method, a relatively large concentration of dopamine (20 mg ml⁻¹) was first used to create a stable PDA primer layer, while the second step utilized a significantly lower concentration of dopamine (2 mg ml⁻¹) to promote the formation and deposition of large aggregates of PDA nanoparticles. Gentle shaking (70 rpm) was employed to increase the deposition of PDA nanoparticle aggregates and the formation of a thicker PDA coating with nano-scaled surface roughness (RMS = 110 …

Copper-Based Compounds For Electrochemical Reduction Of Carbon Dioxide, Fan Yang, Pei-Lin Deng, You-Jia Han, Pan Jing, Bao-Yu Xia

Journal of Electrochemistry

The electrochemical reduction of carbon dioxide (CO₂) to useful chemicals and fuels has attracted enormous interest since the deteriorating global warming and energy shortage problems resulted from ever-increasing CO₂ emission. Designing efficient catalysts is of capital significance to realize the efficient and selective conversion of CO₂. Among various catalysts explored, copper-based compounds have promising potentials with acceptable efficiency for hydrocarbon production. Herein, recent advances on copper-based materials are summarized for electrochemical CO₂ conversion. We intend to include the dimensional structure, different forms (alloy, oxide) and molecular catalysts in copper-based catalysts. Moreover, the reaction mechanisms …

Recent Progress In Copper-Based Catalysts For Electrochemical Co2 Reduction, Wen Lei, Wei-Ping Xiao, De-Li Wang

Journal of Electrochemistry

As the situation of energy crisis and environmental pollution become more and more serious, the electrochemical reduction of carbon dioxide (CO₂) has attracted lots of attention because of its multiple meanings such as environment, resources and economic benefits. In this paper, the state of the art electrochemical reduction of CO₂ in aqueous solution is reviewed, and the latest research progress in Cu-based catalysts with different structures and morphologies is summarized. In the end, the application prospects, opportunities and challenges of Cu-based materials are briefly presented to provide an outlook for future research directions.

Effect Of Morphology Of Fe-N Codoped Carbon Nanomaterial On Electrochemical Reduction Reactions, Er-Ling Li, Fa Yang, Ming-Bo Ruan, Ping Song, Wei-Lin Xu

Journal of Electrochemistry

Graphene nanosheets (GS) and carbon nanotubes have been considered as good catalysts candidates for applications in energy conversion and storage. However, hybrids of GS and carbon nanotubes are always formed in transition metal-based nitrogen-doped system, making the system quite complex for exploring the structure-activity relationship. To prepare the catalysts with desired species controllably, we try to adjust the outcomes with the effect of nitrogen on the growth of carbon nanotubes. In this work, a series of Fe-N co-doped carbon hybrid catalysts containing N-doped GS or hybrids of GS/bamboo carbon nanotubes (BCNTs) or BCNTs were obtained with one-step pyrolyzed method. To …

Single-Layer Oxygen Deficiency Δ-Mno2 For Electrochemical Co2 Reduction, Yue-Feng Zhang, Jian-Jun Liu, Zeng-Xi Wei, Xin-Xin Tian, Jian-Min Ma

Journal of Electrochemistry

Manganese dioxide (MnO₂) has been widely used in catalysis. In addition, since the defect engineering can change the electronic properties of the catalyst, here we have systematically studied electrocatalytic carbon dioxide reduction reaction (CO₂RR) on δ-MnO₂ with and without oxygen deficiency, denoted as Ov-MnO₂ and MnO₂, respectively. We calculate the electronic properties and the intermediate of free energy for MnO₂ and Ov-MnO₂ with the help of spin-polarized density functional theory. By analyzing this result, we can find that the introduction of defects change the δ-MnO₂ from semiconducting properties to …

Statuses, Challenges And Strategies In The Development Of Low-Temperature Carbon Dioxide Electroreduction Technology, Xu-Rui Zhang, Xiao-Lin Shao, Jin Yi, Yu-Yu Liu, Jiu-Jun Zhang

Journal of Electrochemistry

Low-temperature carbon dioxide (CO₂) electrochemical reduction technology is a hotspot for research and development in recent years as a way to reduce the negative impact of CO₂ on the environment and to generate energy storage through converting electricity to low-carbon fuels. Although basic research on catalyst activity, product selectivity, and reaction mechanism has been widely reported, the design and practicality of catalytic stability and corresponding electrochemical reactor systems have not been given sufficient attention and systematic development.  In this paper, two important factors affecting the development of CO₂ electrochemical reduction technology in low temperature aqueous solution …

Electrocatalytic Reduction Of Carbon Dioxide To Carbon Monoxide Using Cobalt Nitride, Chen Ma, Peng-Fei Hou, Peng Kang

Journal of Electrochemistry

Electrocatalytic reduction of carbon dioxide (CO₂) is a promising method to alleviate global warming issues, although it still faces many challenges. Herein, we report cobalt nitride for electrocatalytic reduction of CO₂ to carbon monoxide (CO) in an aqueous electrolyte. A comparison of catalysts with different preparation temperatures and atmospheres suggests that nitrogen doping is critical to improve catalytic activity. For the most active catalyst of 700-Co_5.47N/C, the CO current density reached 9.78 mA·cm^-2 at potential of -0.7 V vs. RHE. In addition, the CO/H₂ ratio could be adjusted from 1:3 to 3:2 by …

Preface To Special Issue Of Electrochemical Reduction Of Carbon Dioxide, Qing Li, Min Liu

Journal of Electrochemistry

No abstract provided.

Recent Advances In Bismuth-Based Co2 Reduction Electrocatalysts, Rui Zhou, Na Han, Yan-Guang Li

Journal of Electrochemistry

Carbon dioxide (CO₂) is an economical, secure and sustainable carbon resource around us. Its effective capture and recycling have been the focus of our entire society. Using the electrochemical method, CO₂ can be reduced to different value-added chemicals or fuels. This approach not only would mitigate CO₂ accumulation in the atmosphere, but also would help alleviate our dependence on fossil fuel. In this article, the basic principle and process of electrochemical CO₂ reduction are first introduced. The recent development in bismuth-based catalysts for electrocatalytic CO₂ reduction is reviewed with an emphasis on their preparation, …

Regulation Of Copper Surface Via Redox Reactions For Enhancing Carbon Dioxide Electroreduction, Bao-Hua Hang, Jin-Tao Zhang

Journal of Electrochemistry

A large-scale application of fossil fuels has led to excessive emission of carbon dioxide (CO₂), resulting in serious environmental issues. A promising path to reducing CO₂ emissions is recycling CO₂ into valuable chemicals and fuels through an electrochemical process. Herein, the redox reactions between copper (Cu) and ferric chloride (FeCl₃) have been utilized to regulate the Cu surface composition and structure, aimed to improve the electrocatalytic activity toward CO₂ reduction. Typically, a series of samples (named Cu-1h, Cu-2h, Cu-3h and Cu-4h) were prepared via the redox reactions for various time from 1 to …