Engineering Commons^™

Rational Design Of Perovskite Based Anode Materials For Solid Oxide Fuel Cells: A Computational Approach, Suwit Suthirakun

Theses and Dissertations

A key challenge in the development of solid oxide fuel cell (SOFC) technology is related to finding a suitable replacement for Ni-based cermet anodes. Although conventional Ni-based electrodes exhibit excellent catalytic activity and current collection, they suffer from several limitations such as instability upon redox cycling, nickel sintering, and sulfur and carbon poisoning when exposed to practical hydrocarbon fuels. Therefore, alternative anode materials need to be developed for SOFCs. Among the novel anode electrodes, perovskite based materials are of great interest because they have been shown to satisfy most intrinsic SOFC anode requirements such as high thermodynamic stability in anodic …

The Rational Synthesis Of Supported Noble Single Or Bimetallic Catalysts By Electrostatic Adsorption, Hyeran Cho

Theses and Dissertations

Many catalysts are today prepared by impregnation (also called incipient wetness or dry impregnation) in which nominal amounts of metals are placed into the amount of solution just necessary to fill the pore volume of the support material. While dry impregnation (DI) is simple and the amounts of metals easily controlled, no attention is paid to metal-support or metal-metal interaction. When DI-deposited metal precursors are reduced, the particles tend to be large in size and there is often ppor contact between two metals in a bimetallic system. In this work we demonstrate the application of "strong electrostatic adsorption" (SEA) for …

Comparison Of A Particle Filter And Other State Estimation Methods For Prognostics Of Lithium-Ion Batteries, Eric Alan Walker

Theses and Dissertations

A particle filter (PF) is shown to be more accurate than non-linear least squares (NLLS) and an unscented Kalman filter (UKF) for predicting the remaining useful life (RUL) and time until end of discharge voltage (EODV) of a Lithium-ion battery. The three algorithms track four states with correct initial guesses and 5% variation on the initial guesses. The more accurate prediction performance of PF over NLLS and UKF is reported for three Lithium-ion battery models: a data-driven empirical model, an equivalent circuit model, and a physics-based single particle (SP) model.

Gelation Characteristics And Osteogenic Differentiation Of Stromal Cells In Inert Hydrolytically Degradable Micellar Polyethylene Glycol Hydrogels, Danial Barati

Theses and Dissertations

The use of polyethylene glycol (PEG) hydrogels in tissue engineering is limited by their persistence in the site of regeneration. In an attempt to produce degradable PEG-based hydrogels while preserving the unique properties of PEG, linear (LPELA) and star (SPELA) poly(ethylene glycol-co-lactide) acrylate, star (SPEDA) poly(ethylene glycol-co-dioxanone), star (SPEGA) poly(ethylene glycol-co-glycolide) acrylate as the least hydrophobic and (SPECA) poly(ethylene glycol-co-caprolactone) as the most hydrophobic macromonomers with short hydrophobic segments were synthesized. The hydrogels were characterized with respect to gelation time, modulus, water content, sol fraction, degradation, and osteogenic differentiation of encapsulated marrow stromal cells (MSCs). Chain extension of PEG with …

The Effect Of Bi-Polar Plate And Membrane Materials On Water Transport In Pemfcs, Visarn Lilavivat

Theses and Dissertations

An analysis of liquid water transport and removal in Proton Exchange Membrane Fuel Cells (PEMFCs) as affected by different membranes and the geometry and surface roughness of bipolar plates on is presented. Four topics are considered. First, the channel dimension and shape of various flow fields have been shown to affect the cell performance and the uniformity in the distributions of current. Typical variations in the channel width, height, and undercut that may occur with manufactured metal plates are studied. These sample-to-sample variations and distributions are studied and compared with laboratory-scale graphite plates. The goal of the work is to …

Investigation Of Three-Way (Twc), Lean Nox Trap (Lnt) And Selective Catalytic Reduction (Scr) Catalysts For Control Of Nox Emissions From Lean-Burn Engines, Christopher Dominic Digiulio

Theses and Dissertations

Lean-burn gasoline engines are approximately 10% more fuel efficient than conventional, stoichiometric-burn ones. Although relatively modest, if implemented across the entire U.S. automotive fleet, this improvement in fuel economy could have far-reaching implications on the amount of gasoline imported in the country on an annual basis. However, the development of a cost-effective catalytic converter catalyst capable of meeting emission regulations for lean-burn vehicles still represents a major technical challenge. Currently, lean NOX trap (LNT) and selective catalytic reduction (SCR) catalysts are used for this purpose, but both systems suffer from significant drawbacks. For example, LNT catalysts generally require high platinum …

Theoretical Studies Of Co Based Catalysts On Co Hydrogenation And Oxidation, Nianthrini Balakrishnan

USF Tampa Graduate Theses and Dissertations

CO hydrogenation and CO oxidation are two important processes addressing the energy and environmental issues of great interest. Both processes are carried out using metallic catalysts. The objective of this dissertation is to study the catalytic processes that govern these two reactions from a molecular perspective using quantum mechanical calculations. Density Functional Theory (DFT) has proven to be a valuable tool to study adsorption, dissociation, chain growth, reaction pathways etc., on well-defined surfaces. DFT was used to study the CO reduction reactions on promoted cobalt catalyst surfaces and CO oxidation mechanisms on cobalt surfaces.

CO hydrogenation via Fischer-Tropsch Synthesis (FTS) …

Coal Char-Co2 Gasification Measurements And Modeling In A Pressurized Flat-Flame Burner, Randy C. Shurtz, Thomas H. Fletcher

Faculty Publications

A pressurized flat-flame burner (PFFB) was used to conduct coal gasification studies. The PFFB was designed to provide an environment with laminar, dispersed entrained flow, with particle heating rates of ∼105 K/s, pressures of up to 15 atm, and gas temperatures of up to 2000 K. Residence times were varied from 30 to 700 ms in this study. Char gasification studies by CO2 were conducted on a subbituminous coal and 4 bituminous coals in the PFFB. Pressures of 5, 10, and 15 atm were used with gas compositions of 20, 40, and 90 mol % CO2. Gas conditions with peak …

Time-Dependent Deposition Characteristics Of Fine Coal Fly Ash In A Laboratory Gas Turbine Environment, Robert Laycock, Thomas H. Fletcher

Faculty Publications

Time-dependent deposition characteristics of fine coal fly ash were measured in the Turbine Accelerated Deposition Facility (TADF) at Brigham Young University. Two samples of subbituminous coal fly ash, with mass mean diameters of 3 and 13 microns, were entrained in a hot gas flow with a gas temperature of 1288 C and Mach number of 0.25. A nickel-based, superalloy metal coupon approximately 0.3 cm thick was held in a hot particle-laden gas stream to simulate deposition in a gas turbine. Tests were conducted with deposition times of 20, 40, and 60 min. Capture efficiencies and surface roughness characteristics (e.g., Ra) …

Prediction Of Sawdust Pyrolysis Yields From A Flat-Flame Burner Using The Cpd Model, Aaron D. Lewis, Thomas H. Fletcher

Faculty Publications

High heating rate pyrolysis experiments were performed on a softwood sawdust in a flat-flame burner reactor at temperatures from 1163 to 1433 K with particle residence times ranging from 23 to 102 ms at atmospheric pressure. Volatile yields of the 45−75 μm sawdust were measured and are believed to be similar to those that would occur in an industrial entrained-flow combustor or gasifier. A refractory tar yield near 1.5 wt % (dry, ash-free) was measured. A high percentage of the fully pyrolyzed sawdust char was spherical, having lost the original sawdust structure. It is suggested that the morphology of sawdust …

Behavior And Effects Of Nanoparticles In Complex Fluid Systems, Chen Wang

Doctoral Dissertations

"The development of nanoscale technologies has greatly expanded the scientific and engineering horizons and also has the potential to turn molecular discoveries into worldwide benefits on multiple fronts. Despite recent extensive efforts, the focus of nanoparticle studies has been on their synthesis and various possible derivatives. In this dissertation, molecular based modeling and simulation studies have been performed to characterize and understand the behavior, properties, and effects of nanoparticles in some important material systems. The results show that small nanoparticles that are highly faceted have significant shape effects, which are not captured by classical continuum-based approaches. When dissolved in confined …

Review Of Us And Eu Initiatives Toward Development, Demonstration, And Commercialization Of Lignocellulosic Biofuels, Venkatesh Balan, David Chiaramonti, Sandeep Kumar

Civil & Environmental Engineering Faculty Publications

Advanced biofuels produced from lignocellulosic biomass offer an exciting opportunity to produce renewable liquid transportation fuels, biochemicals, and electricity from locally available agriculture and forest residues. The growing interest in biofuels from lignocellulosic feedstock in the United States (US) and the European Union (EU) can provide a path forward toward replacing petroleum-based fuels with sustainable biofuels which have the potential to lower greenhouse gas (GHG) emissions. The selection of biomass conversion technologies along with feedstock development plays a crucial role in the commercialization of next-generation biofuels. There has been synergy and, even with similar basic process routes, diversity in the …

Flexural Rigidity Characterization Of Retrofitted Frp Plates, Steven J. Makonis Jr., Stella B. Bondi, Zia Razzaq

Civil & Environmental Engineering Faculty Publications

Presented herein is a procedure and numerical results for flexural rigidity characterization of Fiber Reinforced Polymer (FRP) plates retrofitted with various types of fabrics. The FRP plates were retrofitted with Kevlar® 49 (Aramid), Carbon Fiber (Harness-Satin H5), and Unidirectional Carbon Fiber (T700 Aerospace Grade) fabrics, respectively. The FRP plate flexural rigidity values were calculated with a central finitedifference iterative scheme while utilizing the experimental load-deflection relations based on bending tests. The tests were performed on each plate by applying a concentrated load at the center. A fourth-order partial differential equation of plate equilibrium was adopted to estimate the plate flexural …

Heat Transfer And Bubble Dynamics In Bubble And Slurry Bubble Columns With Internals For Fischer-Tropsch Synthesis Of Clean Alternative Fuels And Chemicals, Moses Odongo O. Kagumba

Doctoral Dissertations

"Synthesis gas, a mixture of CO and H₂ obtained from coal, natural gas and biomass are increasingly becoming reliable sources of clean synthetic fuels and chemicals and via Fischer-Tropsch (F-T) synthesis process. Slurry bubble column reactor is the reactor of choice for the commercialization of the F-T synthesis. Even though the slurry bubble column reactors and contactors are simple in structures, their design, scale-up, operation, and performance prediction are still challenging and not well understood due to complex interaction of phases. All the studies of heat transfer have been performed without simultaneously investigating the bubble dynamics adjacent to the heat …

Coupled Geomechanical Reservoir Simulation, Amin Amirlatifi

Doctoral Dissertations

"Founded by Department Of Energy, the Plains CO₂ Reduction (PCOR) Partnership is investigating the Williston Basin as a candidate for sequestering CO₂ emissions from power plants. The State of Missouri, a member of PCOR, lies at the outermost point on the proposed transportation route and consequently faces the highest CO₂ compression and transportation costs. In order to minimize the cost of CO₂ sequestration, it is desirable to find a storage site within the state. The Lamotte sandstone is identified as a suitable sequestration aquifer formation in Missouri with acceptable permeability, porosity, extension, rock strength and water salinity. Using the finite …

Gas Dynamics And Heat Transfer In A Packed Pebble-Bed Reactor For The 4th Generation Nuclear Energy, Rahman Abdulmohsin

Doctoral Dissertations

"Proper analyses of axial dispersion and mixing of the coolant gas flow and heat transport phenomena in the dynamic core of nuclear pebble-bed reactors pose extreme challenges to the safe design and efficient operation of these packed pebble-bed reactors.

The main objectives of the present work are advancing the knowledge of the coolant gas dispersion and extent of mixing and the convective heat transfer coefficients in the studied packed pebble-beds. The study also provides the needed benchmark data for modeling and simulation validation. Hence, a separate effect pilot-plant scale and cold-flow experimental setup was designed, developed and used to carry …

Scaleup And Hydrodynamics Study Of Gas-Solid Spouted Beds, Shreekanta Basavaraj Aradhya

Doctoral Dissertations

"A thorough understanding of the complex flow structure of gas-solid spouted bed is crucial for design, scale-up and performance. Advanced gas-solid optical probes were developed and used to evaluate different hydrodynamic parameters of spouted beds. These optical probes measure solids concentration, velocity and their time series fluctuations. Since solids concentration needs to be converted to solids holdup through calibration, for meaningful interpretation of results, a novel calibration method was proposed (which is inexpensive and reliable compared to the current reported methods) and validated in the present study. The reported dimensionless groups approach of spouted bed scale-up was assessed and was …

Establishing Well Operability Limits For Frac Pack Sandface Well Completions Using A Screen Erosion Model And Well Completion Score Card, Rickey Hendrix

Doctoral Dissertations

"Completion quality has a direct impact upon the maximum production rate at which a frac pack well should be operated. Best practices for frac pack well completions ensure the highest possible quality for the well completion. A novel frac pack well completion score card was developed based on best practices for frac pack well completions identified through consultation with industry experts. The score card systematically combines and assesses completions data readily available standard completion reports. The outcome of the score card process is a numerical completion quality rating, which combines all well design and frac pack operations information.

The completion …

Nanoscale Metal Oxide And Supported Metal Catalysts For Li-Air Battery, Kan Huang

Doctoral Dissertations

"The dissertation work focuses on research and development of durable nanoscale catalysts and supports for rechargeable Li-air batteries that use aqueous catholytes. Transition metal oxides, TiO₂ and Nb₂O₅ in particular, were prepared from a sol-gel process in the form of nanocoatings (5~50 nm) on carbon nanotubes (CNTs) and studied as catalyst supports. Carbon doping in the oxides and post annealing significantly increased their electronic conductivity. Pt catalyst on the support with TiO₂ (Pt/c-TiO₂/CNTs) showed a much better oxygen reduction reaction (ORR) activity than a commercial Pt on carbon black (Pt/C). Negligible loss ( …

Kinetics Of Human And Bovine Insulin Amyloid Fibril Formation In The Presence Of Solid/Liquid Interfaces, Paulina Barranco Morales

Masters Theses

"The purpose of this thesis was to study the rate and extent of aggregation of human and bovine insulin in bulk and in the presence of either polystyrene microspheres with different surface chemistries or liposomes of different composition. Insulin aggregation was followed by turbidimetry, Fourier transform infrared spectroscopy (FTIR), and dynamic light scattering. The Congo red assay was used to corroborate the presence of amyloid deposits and transmission electron microscopy (TEM) was used to analyze the morphology of the amyloid deposits. Our results show that not all the surfaces shortened the lag time. On the other hand, most surfaces had …

Protein Aggregation At Solid/Liquid Interfaces: A Monte Carlo Study With Explicit And Implicit Solvent Effects, Rehman Fazeem

Masters Theses

"Metropolis Monte Carlo (MC) simulations were performed with positively charged peptides in aqueous solution to study changes in peptide conformations at solid/liquid interface, and its effects on protein aggregation. Intermediate-resolution diblock model peptide, comprising of 10 units of ALA (non-polar) and LYS (polar) amino acid residues, was used for the simulations. In the first approach to modeling, solvent effects were considered explicitly. The explicit model was then used to study two peptide molecules, in helical structure, at solid/liquid interface. In order to increase the number of peptide molecules in the simulation box, with reduced computational cost, an implicit solvent model …

Characterization Of Macromolecular Structure Of Pyrolysis Products From A Colorado Green River Oil Shale, James L. Hillier, Thomas H. Fletcher, Mark S. Solum, Ronald J. Pugmire

Faculty Publications

Volatile products from an oil shale from the Colorado Green River formation were studied by several methods. The oil shale was demineralized, and the resulting kerogen was also chemically analyzed. Both the oil shale and the demineralized kerogen were pyrolyzed at 10 K/min, and the pyrolysis products (light gas, tar, and char) were analyzed using 13C NMR, XPS, GC/MS, and FTIR. Low temperature ashing was performed in order to compare pyrolysis yields of oil shale and demineralized kerogen on a dry ash-free basis. Volatile yields of approximately 75% were achieved in an oil shale retort and 79% in the kerogen …

Ultrasound For Improved Crystallisation In Food Processing, N. Misra, Navneet Deora, Brijesh Tiwari, Patrick J. Cullen

Articles

Within the food industry, controlling crystallisation is a key factor governing food structure, texture and consumer appeal, with some foods requiring the promotion of crystallisation in a controlled manner (e.g. chocolate) and others a check (e.g. in honey). Sonocrystallisation is the application of ultrasound energy to control the nucleation of a crystallisation process. The use of power ultrasound provides a non-invasive approach to producing crystals with desired properties. Sonocrystallisation facilitates process control, primarily by modulating crystal size distribution and morphology. This paper details the governing mechanisms of sonocrystallisation. Proven and potential applications of the process in foods, including chocolates, honey, …

Human And Organisational Factors As A Risk Management Strategy In An Aviation Maintenance Company, Samuel Cromie, Paul Liston, Derek Ross, Siobhan Corrigan, Lindita Vani, Dara Lynch, Solonas Demosthenous, Maria Chiara Leva, Alison Kay, Vangelis Demosthenous

Articles

Aviation has for many years been one of the leading industries in addressing human and organisational factors (HOF) within its different sectors – flight operations, air traffic control, ground operations, maintenance, etc. In particular aviation has led the way in mandating a range of measures that address HOF issues – reporting systems, shift-handover procedures, etc (e.g. UK CAA, 2003). A key element of the regulation has been the mandating of initial and continuation training in HOF for virtually all personnel working in aviation maintenance. By contrast the development of practice and regulation of risk and safety management in aviation has …

Novel Microwave Assisted Synthesis Of Zns Nanomaterials, Suresh Pillai, Michael Seery, Damian Synnott, John Colreavy, Stephen Hinder

Articles

A novel ambient pressure microwave-assisted technique is developed in which silver and indium modified ZnS is synthesised. The as prepared ZnS is characterised by X-ray diffraction, UV-Vis spectroscopy, X-ray photoelectron spectroscopy and luminescence spectroscopy. This procedure produced crystalline materials with particle sizes below 10 nm. The synthesis technique leads to defects in the crystal which induce mid energy levels in the band gap and lead to indoor light photocatalytic activity. Increasing the amount of silver causes a phase transition from cubic blende to hexagonal phase ZnS. In a comparative study, when the ZnS cubic blende is heated in a conventional …

Effect Of Dense Heat Exchanging Internals On The Hydrodynamics Of Bubble Column Reactors Using Non-Invasive Measurement Techniques, Mohammed Khloofh Al Mesfer

Doctoral Dissertations

"Given their efficiency and capital cost reduction, bubble/slurry bubble column reactors are the reactors of choice for Fischer-Tropsch (FT) synthesis, offering clean alternative fuels and chemicals. FT synthesis is an exothermic process that requires many heat exchanging tubes in order to remove heat efficiently and maintain the desired temperature and isothermal operating condition. The impact of the heat exchanging tubes (internals) on the hydrodynamics is not fully understood. Reliably designing and scaling up bubble column reactors requires proper understanding of hydrodynamics, as well as heat and mass transfer parameters.

The main objective of this work is to advance the understanding …

Minimizing Formation Damage For Preformed Particle Gels Treatment In Mature Reservoirs, Mahmoud Omran Elsharafi

Doctoral Dissertations

"This research studied the effect of preformed particle gels (PPGs) on unswept, low-permeable zones/areas. The objective was to find methods that minimized the damage caused by PPGs on unswept, low-permeable zones/areas, thus improving PPG treatment efficiency. These results can help to identify of the best PPG types, particle sizes, and brine concentrations for specific reservoirs and treatments. This study used sandstone core samples with various degrees of permeability. Two types of particle gels, a strong Daqing gel (DQ) and a weak Liquiblock™ 40k gel (40K), were used, each with a different strength.

This research included two stages. Firstly, both a …

Modeling And Analysis Of Dynamic Behavior Of Adsorption Stratified Column Beds Packed With Partially Fractal Porous Adsorbent Particles, Min Li

Doctoral Dissertations

"In this work novel porous adsorbent media having partially fractal structures and stratified packed-beds are constructed and their dynamic performance with respect to their adsorptive capacity through the construction and solution of rigorous models is studied. The results show that conventional columns packed with partially fractal porous adsorbent particles provide larger breakthrough times and dynamic utilization of the adsorptive capacity of the column when compared with those of conventional columns employing conventional adsorbent particles which do not possess a partially fractal structure. Furthermore, stratified column beds exhibit superior species separation performance than conventional columns when they are packed with either …

Comparison Of Class Ii Injection Well Area Of Review Requirements With Area Of Evaluation For Hydraulically Fractured Wells, Yashesh Jitendra Panchal

Masters Theses

"Since 2010 the US Environmental Protection Agency (EPA) has been proposing plans to study, and has now initiated research regarding the potential impact of hydraulic fracturing processes on drinking water sources. Their work refers to an 'Area of Evaluation' around a hydraulically fractured well, inferring that the wells immediately around hydraulic fractured wells should be studied, to evaluate the conditions of these wells and their potential to contaminate overlying USDWs. Class II injection wells must have a minimum 1/4 mile radius area of review to determine the condition of wells surrounding the proposed injection well. All wells within this AOR …

Robust Methods For Construction Of Global Potential Energy Surfaces, Phalgun Lolur

Masters Theses

"This thesis is about the development of robust methods for construction of global potential energy surfaces to study the spectroscopy and dynamics of molecular systems. A potential energy surface represents the electronic energy of a molecule as a function of its geometry. This is central to how chemists view molecular systems in terms of motion across a rich energy landscape where barriers separate wells corresponding to different stable structures. The range of molecular distortions defines the potential energy surface. Computing the potential energy surface of a molecule has become a fundamental operation in modern theoretical chemistry studies. The Born-Oppenheimer approximation …