Chemical Engineering Commons^™

Fe(Iii)2o3 Nanoparticle Mediated Molecular Growth And Soot Particle Inception From The Oxidative Pyrolysis Of 1-Methylnaphthalene, Michael Paul Herring

LSU Doctoral Dissertations

The potential for Fe(III)2O3 nanoparticles to participate in the molecular growth and particle inception of soot from 1-methylnapthalene (1-MN) was studied in a dual-zone, high-temperature flow reactor. An iron substituted, dendrimer template was oxidized in the Zone 1 reactor to generate ~5nm Fe(III)2O3 nanoparticles, that were continually seeded to a high sooting 1-MN fuel under oxidative pyrolysis conditions. The Fe(III)2O3 nanoparticles could then influence the otherwise gas-phase reactions of 1-MN. Increased PAH formation, soot number density, soot mass yield, and soot radical intensity were observed as a result of Fe(III)2O3 nanoparticle introduction prior to soot inception. Low Temperature Matrix Isolation-Electron …

Pore-To-Continuum Multiscale Modeling Of Two-Phase Flow In Porous Media, Qiang Sheng

LSU Doctoral Dissertations

Abstract Pore-scale network modeling using 3D X-ray computed tomographic images (digital rock technology) has become integral to both research and commercial simulations in recent years. While this technology provides tremendous insight into pore-scale behavior, computational methods for integrating the results into practical, continuum-scale models remain fairly primitive. The general approach is to run pore-scale models and continuum models sequentially, where macroscopic parameters are simulated using the pore-scale models and then used in the continuum models as if they have been obtained from laboratory experiments. While a sequential coupling approach is appealing in some cases, an inability to run the two …

Modeling Foam Delivery Mechanisms In Deep Vadose-Zone Remediation Using Method Of Characteristics (Moc), Alireza Roostapour

LSU Doctoral Dissertations

This study investigates foam delivery mechanisms in vadose-zone remediation by using Method of Characteristics (MoC). In such applications, dry foams are introduced into a porous medium which is initially at low saturation of water (Sw) containing pollutants such as metals and radionuclides. For vadose-zone remediation processes to be successful, the injected aqueous phase should carry chemicals to react with pollutants and precipitate them for immobilization and stabilization purposes. Typical remediation techniques such as water and surfactant injections are not applicable, because of the concerns about downward migration. As a result, understanding foam flow mechanism in-situ is key to the optimal …

An Experimental And Computational Investigation Of Rotating Flexible Shaft System Dynamics In Rotary Drilling Assemblies For Down Hole Drilling Vibration Mitigation, Richard Duff

LSU Doctoral Dissertations

Rotary drilling system vibration has long been associated with damaging the bit, the bottom hole assembly (BHA) and drill string. Vibration has been traditionally measured in the bottom hole assembly, and been closely associated with the resonant behaviors.

This research study proposes an improved physical laboratory model to explore the dynamic behaviors associated with vibration. This model includes contact with the borehole wall allowing a range of stabilization geometries while removing bit-formation interaction effects. The results of exercising the model help develop new insights into both vibration measurement diagnostics and mitigation strategy execution.

Presented here is a review of other …

Digital Image-Based Frameworks For Monitoring And Controlling Of Particulate Systems, Bing Zhang

LSU Doctoral Dissertations

Particulate processes have been widely involved in various industries and most products in the chemical industry today are manufactured as particulates. Previous research and practise illustrate that the final product quality can be influenced by particle properties such as size and shape which are related to operating conditions. Online characterization of these particles is an important step for maintaining desired product quality in particulate processes. Image-based characterization method for the purpose of monitoring and control particulate processes is very promising and attractive. The development of a digital image-based framework, in the context of this research, can be envisioned in two …

Development Of A Framework For Scaling Surfactant Enhanced Co₂ Flooding From Laboratory Scale To Field Implementation, Gbolahan I. Afonja

LSU Doctoral Dissertations

The efficiency of the use of CO2 as a displacement fluid in oil recovery is hampered by the existence of an unfavorable mobility ratio that is caused by the large difference in viscosity between the injected fluid (CO2) and the reservoir fluids. This viscosity contrast results in early CO2 breakthrough, viscous fingering, gas channeling, and consequently, the inability of CO2 to effectively contact much of the reservoir and the oil it contains. Improvement of sweep efficiency and mobility control in CO2 injection require solutions to these problems. The use of surfactants and other chemical means for mobility control has been …

Molecular Dynamics Of Interfacial Phenomena At Air/Ice, Air/Water, And Air/Salt Water Interfaces, Thilanga Prabhash Liyana Arachchi

LSU Doctoral Dissertations

The purpose of this research is to investigate the adsorption of organic contaminants, namely polycyclic aromatic hydrocarbons (PAHs) and green leaf volatiles (GLVs), as well as their interactions with reactive oxygen species (ROSs) on atmospheric air/water and air/ice interfaces. In another series of projects, we studied several intermediate and semi-volatile organic compounds from oil (IVOCs and SVOCs, e.g., alkanes with 17-31 carbon atoms), surfactants and dispersants at air/salt water interfaces. These simulations are relevant to understand the fate of these compounds during the recent 2010 Deepwater Horizon (DWH) oil spill. The adsorption of gas-phase aromatics (benzene, naphthalene and phenanthrene), ROSs …

Emergence Of Delamination Fractures Around Casing And Its Stability, Wei Wang

LSU Doctoral Dissertations

The cement sheath failures and nearby wellbore failures may lead to upward flow of drilling fluid or formation fluid, which may have significantly adverse consequences like loss of reserve and environmental hazards. In order to maintain wellbore integrity in the long term, it is expedient to examine the causes of failures around the wellbore and propose suitable numerical models to predict annulus cracks around the casing. The complex failure behavior of cement/rock interfaces observed in the laboratory experiments does not look like the behavior of linear or simple nonlinear mechanical interfaces. Cohesive zone method (CZM) with BK-form bilinear traction separation …

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 …

Asymmetric Hydrogenation Of Α, Β-Unsaturated Carboxylic Acid Over Chiral-Modified Palladium Catalyst, Shuai Tan

Theses and Dissertations

The production of optically pure chemicals through enantioselective catalytic reaction plays a key role a variety of industrials (e.g., pharmaceutical, agrochemical). Among several established methods, chiral-modified supported transition metal catalyst has been addressed attentions since past decades due to an environmental concern. Asymmetric hydrogenation of α, β-unsaturated carboxylic acid over Pd catalyst is of particular interest in this area. Nevertheless, the spectroscopic aspect, as well as the kinetic mechanism of such reaction system are still not clearly understood and require further study. In this work, a model catalytic reaction has been investigated from both spectroscopic and kinetic view. To be …

Effect Of Nanoparticle Size, Support, And Potassium Dopant On Ruthenium Activity For Levulinic Acid (La) Hydrogenation To Γ-Valerolactone (Gvl), Shuo Cao

Theses and Dissertations

The purpose of this thesis is to study the effect of nano-particle size, support and potassium dopant on ruthenium activity on the levulinic acid (LA) hydrogenation to ã-valeroactone (GVL).In hydrogenation reaction, H2 as the gas phase reactant reacts with the metal atoms at the surface of particle size, thus a high level of metal dispersion is critical to maximize the amount of atoms on the surface. This reaction has been widely investigated by varied metal supported catalysts and proved that Ru is the most active metal for it. However, most of researchers only focused on the reaction pathway, rather than …

Effect Of Matrix Modulus On Cancer Stem Cells And Tumorsphere Formation In Three-Dimensional-Engineered Matrix, Samaneh Kamali Sarvestani

Theses and Dissertations

Maintenance of cancer stem cells (CSCs) is regulated by their microenvironment. As cancer cells are affected by many factors in their microenvironment, a major challenge is to isolate the effect of a specific factor on cancer stem cells (CSCs) while keeping other factors unchanged. We have developed a synthetic inert 3D polyethylene glycol diacrylate (PEGDA) gel culture system as a unique tool to study the effect of microenvironmental factors on CSCs response. Synthetic hydrogels provide the flexibility to design three-dimensional (3D) matrices to isolate and study individual factors in the tumor microenvironment.

The objective of this work was to investigate …

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) …

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 …

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 …

Molecular Dynamics Of Ionic Liquids In Nanoporous Electrodes, Nav Nidhi Rajput

LSU Doctoral Dissertations

Molecular dynamics simulations were performed to investigate structural, dynamical and electrical properties of ionic liquids (ILs) confined inside different nanoporous materials. These systems have potential uses in environmental and energy applications. The main goal is to understand how these IL properties are affected by a) characteristics of nanoporous materials such as chemical nature of the pore walls (e.g., carbon, titania), pore size and pore morphology, and b) characteristics of electrolyte, such as amount of IL inside the pores (pore loading) and concentration of organic solvent, in the case of mixtures of ILs with organic solvents. The results obtained in this …

Evaluation Of Gas-Assisted Gravity Drainage Eor Process Applicability In A Louisiana Oil Field Through Experiments And Reservoir Simulation, Wagirin Ruiz Paidin

LSU Doctoral Dissertations

The Gas-Assisted Gravity Drainage (GAGD) process was developed as an alternative to conventional gas injection enhanced oil recovery (EOR) processes, which suffer from their inherent weakness of combating gravity segregation. The GAGD process, however, is aimed at taking advantage of this phenomenon and consists of using horizontal producers near the bottom of the payzone while injecting gas using vertical injection wells. It is hypothesized that the injected gas will rise to the top, thereby forming a gas cap while displacing reservoir brine/oil downward towards the producers. In this study, a single-well alternative to the multi-well GAGD process was investigated to …

A Large Scale Network Model To Obtain Interwell Formation Characteristics, Seyedmohammadamin Gherabati

LSU Doctoral Dissertations

Limited data availability and poor data quality make it difficult to characterize many reservoirs. For reservoirs that have undergone waterflooding, production and injection data are a reliable source of information from which injector-to-producer connections can be inferred. In this research, we use well locations, injection and production rate data and well fractional flow values to develop a reservoir-scale network model. A Voronoi mesh divides the reservoir into a number of node volumes each of which contains a well. Bonds connect each of the nodes with conductance values that must be inferred from the rate data. An inverse problem is formulated …

A New Diagnostics Tool For Water Injected Gas Turbines - Emissions Monitoring And Modeling, Mohammed Shafi Syed

LSU Doctoral Dissertations

Natural gas-fired cogeneration systems are commonly used for large-scale industrial energy production – both electricity generation and heat recovery. Industrial cogeneration currently represents about 8% of the U.S. total electricity generation capacity. Plans call for cogeneration to increase to 20% of the generation capacity by the end of 2030 [1, 2]. Industrial cogeneration systems attain both high thermal efficiency and low emissions. The attainment of low emissions from natural gas fired turbines, in particular low NOx emissions, is of considerable environmental importance especially as coal becomes a less favorable fuel source. Our current project addresses emissions and performance modeling of …

Multi-Scale Modeling Of Inertial Flows Through Propped Fractures, Ali Takbiri Borujeni

LSU Doctoral Dissertations

Non-Darcy flows are expected to be ubiquitous in near wellbore regions, completions, and in hydraulic fractures of high productivity gas wells. Further, the prevailing dynamic effective stress in the near wellbore region is expected to be an influencing factor for the completion conductivity and non-Darcy flow behavior in it. In other words, the properties (fracture permeability and β-factor) can vary with the time and location in the reservoir (especially in regions close to the wellbore). Using constant values based on empirical correlations for reservoirs/completions properties can lead to erroneous cumulative productivity predictions. With the recent advances in the imaging technology, …

Experimental And Modeling Study Of Foam Flow In Pipes With Two Foam-Flow Regimes, Ali Reza Edrisi

LSU Doctoral Dissertations

The use of foams can be found abundantly in many applications in a wide range of industries, including oil and gas industry. Although understanding foam flow behavior is crucial for the optimization of such applications, the complex flow behavior of foams has been a major challenge. Recent experimental studies with surfactant foams presented a new way to characterize foam flow characteristics by using two flow regimes: the low-quality regime showing either plug-flow or segregated-flow pattern, and the high-quality regime showing slug-flow pattern. This study consists of three main components: (1) experimental investigation of foam rheology in pipes; (2) building up …

Analytical Modeling And Diagnosis Of Penetration Rate Performance Of Pdc Bits, Reza Rahmani

LSU Doctoral Dissertations

The high cost of drilling deep (15000+ ft) wells, due to slow rate of penetration (ROP) at depth, has severely limited the utilization and economic significance of deep hydrocarbon resources. The overall objective of this study was to obtain a better understanding of the major cause(s) of slow ROP in deep drilling. An analysis of field data demonstrated the impact of the problem and identified shale and limestone as the primary lithologies where slow ROP occurs at depth. Previous researchers have concluded that interactions between rock, drilling fluid, cuttings, and the bit control ROP. More specifically, several researchers have concluded …

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 …

Self-Assembling Of Gold Nanoparticles Array For Electro-Sensing Applications, Islam M. Al-Akraa Dr, Ahmad M. Mohammad Prof, Mohamed S. El-Deab Prof, Bahgat E. El-Anadouli Prof

Chemical Engineering

A colloidal solution of citrate-stabilized gold nanoparticles (AuNPs) with an average size of ca. 2.6 nm has been prepared, characterized and further implemented in electro-sensing applications. This colloidal solution of AuNPs has been prepared via the reduction of NaAuCl4 with sodium tetrahydroborate (NaBH4) using trisodium citrate as a stabilizer. The optical properties of this solution have been studied with UV–Vis spectroscopy. Next, these AuNPs have been immobilized onto a polycrystalline Au (poly-Au) electrode with the assistance of benzenedimethanethiol (BDMT), which served as a binder. Attention has been taken to ensure the formation of a compact impermeable layer of BDMT on …

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 …

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 …

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 …

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 …