Chemical Engineering Commons^™

Techno-Economic Assessment And Life Cycle Analysis Of Electrocatalytic Reduction Of Co2 To Ethanol., Omotolani Elizabeth Oduyebo

LSU Master's Theses

This study presents a techno-economic analysis (TEA) and life cycle assessment (LCA) of the electrocatalytic reduction of CO₂ to ethanol, a multi-carbon (C₂) product with significant market value. Prior TEA studies have relied on simplified lump-sum separation cost estimates, and prior LCA studies have rarely examined the combined effect of CO₂ source and electricity supply on carbon intensity gaps that this work addresses through process-simulation-grounded analysis. An Aspen Plus process simulation was developed for an anion-exchange membrane (AEM) electrolyzer system coupled with an extractive distillation separation train using ethylene glycol as the entrainer, achieving 99.9 wt.% ethanol purity …

Gas Lift Valve Operation Under Elevated Pressure And Temperature Conditions, Pedro O. De Melo Flores

LSU Master's Theses

Gas lift valves are critical components in artificial lift systems, and their performance directly influences well unloading efficiency and long-term production. Current industry models used to correct valve opening and closing pressure for temperature rely on assumptions that have not been extensively validated against experimental data. This study experimentally investigates the opening and closing behavior of injection pressure-operated (IPO) gas lift valves under controlled elevated-temperature conditions. A load rate test bench was modified to include a heating system capable of maintaining valve temperatures up to 220°F. Five gas lift valve designs from multiple manufacturers were tested over a range of …

Applications For The Quasi-Atomic Orbital And Constrained Density Functional Theory Methods On Catalytic Reactions, Alvaro David Loaiza Orduz

LSU Doctoral Dissertations

Selective activation of C–O, C–H, and C–C bonds underpins biomass upgrading, alkane functionalization, and CO₂ conversion. Despite their importance, the electronic factors governing catalytic performance remain incompletely understood, and many industrial processes still rely on empirical trends or material-specific observations. This dissertation addresses this gap by applying density functional theory (DFT), thermodynamic decomposition, and electronic-structure analysis to identify unifying principles of reactivity across transition-metal phosphides, vanadate oxides, copper-based electrocatalysts, and mixed IrO₂–RuO₂ layers. This work examines how charge transfer, orbital localization, and ligand-induced perturbations control reaction pathways in diverse catalytic systems. C–O bond scission in 2-methyltetrahydrofuran (MTHF) and methanol was …

Investigation Of Co-Current And Counter-Current Multiphase Flow In Upstream Drilling And Production Applications, Hazem Fleifel

LSU Doctoral Dissertations

In the domain of upstream Petroleum Engineering, the dynamics of co-current and counter-current multiphase flows present huge challenges, significantly impacting the efficiency of associated processes. This study investigates two specific applications concerning these flow behaviors, involving both laboratory experiments and transient computer simulations. This work investigates two distinct well control and production enhancement processes, involving multiphase flow dynamics: the bullheading kill procedure and liquid-assisted gas lift (LAGL).

The first topic (Topic 1) explores the bullheading process, a type of well control methods, by challenging the traditional understanding that gas removal efficiency increases monotonically with injection pump flow rate. Through 1D …

Anion Exchange Membrane Transport And Accelerated Testing Methods For Co2 Electrolyzers With Cu-Based Electrocatalyst, John C. Hendershot

LSU Doctoral Dissertations

Electrocatalytic carbon dioxide (CO₂) reduction to C₂₊ products holds promise for low carbon intensity fuels, chemicals, and food; however, durability challenges, particularly bicarbonate (HCO₃^-)and carbonate (CO₃^2-) salt precipitation, hinder their commercialization. This report considers water (H₂O) and ion transport properties of conventional anion exchange membranes (AEMs) in zero-gap membrane electrode assembly (MEA) configurations using Cu electrocatalysts. Transport characterization includes H₂O diffusion, permeability, potassium (K⁺) diffusion, and transference numbers using three commercial AEMs, including piperidinium-based (Versogen), quaternary ammonium-based (Fumasep), and imidazolium-based (Dioxide Materials) membranes. Accelerated lifetime …

Low Temperature Methane Coupling With Co And Co2, A K M Kazi F.M. Aurnob

LSU Doctoral Dissertations

Methane is the smallest hydrocarbon and the most abundant component in natural gas. Despite its availability, its chemical utilization has remained limited due to the challenges associated with direct methane activation and conversion. Most of the methane oxidation and oxidative carbonylation reactions in literature have been carried out at high-pressure using batch reactors or at ambient pressure using flow reactors. While batch reactors have been shown to have higher product yields, they are limited in their capability to provide real-time kinetic insights and comprehensive mechanistic understanding of the reactions involved due to the long residence time. This limits rationalization of …

Magnetic Field Enabled Assembly And Propulsion Of Colloidal Particles In A Magnetic Medium, Hashir M. Gauri

LSU Doctoral Dissertations

Colloidal particles are nano/micro meter-sized particles dispersed in a fluid medium and serve as diverse building blocks for assembling complex structures. The ease of tunability of the shape, size, and interparticle interactions of colloidal particles facilitates their assembly into rich structures and phases that mirror the assembly process of atomic systems. Often regarded as "big atoms" colloidal particles provide an ideal model system for investigating complex phenomena in condensed matter, such as crystallization and nucleation. While the assembly of colloids under thermodynamic equilibrium has been extensively studied, recent interest has shifted toward exploring colloids in non-equilibrium conditions to create dynamic …

Anion Exchange Membrane Durability For Electrochemical Co2 Reduction In Membrane Electrode Assembly Cells, Soundarzo Tasnim

LSU Master's Theses

The electrochemical reduction of CO₂ using membrane electrode assembly (MEA) cells has emerged as a promising approach for carbon capture and conversion into valuable products. This study investigates the degradation mechanisms of anion exchange membranes (AEMs) in CO₂ reduction applications, focusing on Sustainion X37-50, PiperION, and FAA-3-50. The research analyzes the impact of chemical and mechanical degradation on membrane performance, highlighting key stability challenges in long-term operation. Fourier transform infrared spectroscopy (FTIR) and electrochemical impedance spectroscopy (EIS) were employed to monitor functional group stability and ionic conductivity loss over extended operation. The results indicate that hydroxide-induced degradation leads to nucleophilic …

Interfacial Phenomena Of Plastics: From Surface Modifications To Environmental Impacts, Kennedy Guillot

LSU Doctoral Dissertations

Plastic is a ubiquitous part of everyday life since its introduction in the previous century. Global production continues to exponentially increase, establishing plastics as one of the most dominant materials in modern manufacturing. Within the scope of academia, plastic is essential due to its low cost and sterility, particularly for minimizing contamination. Beyond the laboratory, plastic use spans numerous industries, and its use and disposal has since raised many environmental concerns. Once valued for its durability, plastics now pollute the environment in landfills and natural ecosystems. In recent decades, the consequences of this pollution have been investigated, yet the full …

Rheological, Interfacial, And Filtration Behavior Of Lignocellulosic Nanomaterials In Suspension And Emulsion Drilling Fluids, Meen Sung Koo

LSU Doctoral Dissertations

In recent years, the rheological aspects of suspensions/emulsions applied by cellulose nanomaterials (CNMs) have been gained considerable interests due to high gel-forming properties ascribed by hydrophilicity, crystallinity, ease functionalization, and high aspect ratio. Introducing residual lignin in CNMs (LCNMs) seemed to be capable of achieving various advantages in the application of CNMs ascribed by hydrophobicity, binding effects, and abundant aromatic groups derived from complexity of lignin. This dissertation dedicates to the characterizations of (L)CNMs, and rheological properties of (L)CNMs applied fluids (i.e., suspension and emulsion). In the suspension system, the presence of lignin in LCNMs decreased gel strength, viscosity, and …

Improving The Stability And Selectivity Of Methane Dry Reforming Catalysis Through Active Site And Process Tuning, Jonathan Lucas

LSU Doctoral Dissertations

Dry reforming of methane (DRM) is a potential industrial solution to greenhouse emissions whereby CH₄ and CO₂ are reacted on a transition metal catalyst to produce syngas, a feed stock for higher value chemical products. Ni can be used as the catalyst for DRM replacing the high cost and low abundance noble metals (Pt, Pd, Rh). However, the harsh process conditions of DRM (T > 700°C, P of 1-10 bar) readily deactivate Ni through coking and sintering. Ni supported on reducible oxides, specifically CeO₂ and CeO₂-ZrO₂ (CZO), have been widely studied to combat the rapid …

Non-Catalytic Direct Partial Oxidation Of Methane To Methanol In A Wall-Coated Microreactor, Kelly Cohen

LSU Doctoral Dissertations

This project used an integrated mixer-reactor-heat exchanger microtube scalable module for the non-catalytic direct partial oxidation of methane in natural gas to methanol at elevated pressures (70-95 bar), reaction temperatures of 380-460C, reactant methane:air ratios of 0.5-4.4 and reaction zone residence times on the order of 1 min. Currently, methane in remote locations is often flared in large quantities rather than transported or converted to the more easily transportable methanol. However, if this gaseous methane were converted to liquid methanol at the wellhead, it could be transported in ways other than pipeline or used onsite.

Additionally, methane is currently converted …

Statistical Investigation Of Gypsum Crystallization Kinetics, Azmain A. Akash

LSU Master's Theses

Gypsum, a naturally occurring mineral salt, is frequently encountered in industrial processes such as seawater desalination and power plant cooling. Over the years, significant effort has been devoted to controlling the crystallization of gypsum through various chemical approaches, including acidification, chelating agents, and antiscalant polymers. Nevertheless, the cost associated with chemical treatments may be reduced by incorporating physical operational strategies to complement chemical methods in regulating gypsum crystallization.

This study systematically examines the comparative roles of chemical and physical entropy in the gypsum crystallization process to elucidate their respective influences on gypsum growth kinetics. Chemical entropy is manipulated by adjusting …

Physics-Informed Heterogeneous Spatiotemporal Graph Neural Network For Reservoir Simulation, Ahmed A.M.A. Abdullah

LSU Master's Theses

Reservoir simulation is the state-of-the-art method for predicting the flow of petroleum reservoir fluids in porous media. It provides an accurate and unbiased prediction of the performance of petroleum reservoirs under different operating conditions. Despite its advantages, reservoir simulation is computationally expensive; with typical full-field simulation models running for several hours. This limitation is worsened when simulating reservoirs with several equations for each cell, such as multiphysics or compositional reservoir simulation. The goal of this research is to provide a fast and accurate spatiotemporal machine-learning model that incorporates discretized governing mass balance equations for training. To achieve this, we propose …

Precision Bottlebrush Polymers: Synthesis, Characterization, And Structure-Property Relationship, Nduka D. Ogbonna

LSU Doctoral Dissertations

Bottlebrush polymers, a type of non-linear polymer characterized by densely grafted side chains on a linear backbone, offer a versatile platform for material design due to their unique thermomechanical and rheological behavior. Addressing the grand challenge of achieving structural precision for bottlebrush polymers remains crucial because traditional disperse mixtures are plagued with batch variability, limiting our ability to control their functions, and correlate theoretical predictions with experiments. To date, narrow-dispersity bottlebrush polymers remain highly heterogeneous, as they are typically synthesized from disperse linear building blocks.

To address this longstanding challenge of structural heterogeneity in brush polymers, the primary objective of …

A Coarse-Grained Molecular Dynamics Study Of Gas Hydrate Formation And Dissociation, Meisam Adibifard

LSU Doctoral Dissertations

The study of gas hydrates has increased significantly over the last two decades because of their potential application in energy storage, production and transportation, water desalination, refrigeration, gas separation, etc. There is a significant interest in commercially developing natural gas hydrates because the energy content of methane hydrate reservoirs (MHRs) is at least twice that of all conventional fossil fuels combined. Additionally, due to the higher storage capacity of hydrates, it is proposed to sequester CO₂ in the form of CO₂ hydrate, thereby reducing the amount of greenhouse gases. Hence, hydrates offer a dual solution to two of …

Engineering Electronic Properties Of Random Alloys For Catalytic Applications, Andrew N. Okafor

LSU Doctoral Dissertations

Engineering catalytic materials is a key endeavor in the catalysis science to improve the catalytic activity of existing catalysts for specific applications and reduce the dependence on rare metals and minerals. While alloying, or mixing of metals, has been extensively studied, the focus has conventionally been placed on intermetallic phases or nanostructures such as core-shell particles, which are conceptually described by simple lattice models. This research focuses on understanding the catalytic properties of structurally ordered but compositionally disordered (or random) alloys, which have remained under-explored due to complexity at the atomic scale. Existing research focuses on synthesizing multicomponent alloys and …

Catalytic Upcycling Of Waste Plastics By Induction Heating, Bernard Whajah

LSU Doctoral Dissertations

The development of plastics over the past half century has led to rapid technological advances; however, the long-term negative environmental impacts of these materials compel new depolymerization and upcycling strategies. Plastics are indispensable due to their unique physical and chemical properties and affordability, leading to a significant increase in production rates. However, their recycling rates lag far behind their production rates. Polyolefins like LDPE and HDPE, which are common plastics, decompose very slowly in the environment. Converting these plastics into useful products often requires high-temperature pyrolysis, resulting in undesired distributions of products.

To address this challenge, this study focuses on …

Copper-Based Electrocatalysts For Electrochemical Reduction Of Co2 To C2 Products, Monsuru Olatunji Dauda

LSU Master's Theses

The electrochemical reduction of CO₂ using copper-based electrocatalysts has emerged as a promising approach for sustainable chemical production, offering a pathway to mitigate the rising atmospheric CO₂ levels while generating valuable fuels and chemicals. However, the selectivity and efficiency of copper-based catalysts towards specific C₂ products remain a major challenge, hindering their commercial viability. This thesis focuses on the development, characterization, and mechanistic understanding of three promising electrocatalyst systems for multi-carbon product generation from CO₂ reduction: copper-phosphide (Cu-P), copper-tin (Cu-Sn), and copper selenide (Cu₂Se). A comprehensive investigation of the electrocatalysts was conducted using advanced …

Improved Modeling And Application Of Data Assimilation In Gas Influx Management During Managed Pressure Drilling, Chen Wei

LSU Doctoral Dissertations

The management of gas influxes in a drilling well has been considered one of the most critical topics for maintaining petroleum drilling safety and efficiency. Reliable modeling of gas influx behaviors in a wellbore or a marine riser greatly benefits the improved understanding of a gas kick event and the development of optimized influx management strategies. However, the current studies on transient multiphase flow modeling show varying limitations on both the model rigorousness and the overall numerical efficiency. Meanwhile, the existence of great system uncertainties, such as the unclear influx sizes and distributions in the well/riser, has brought significant challenges …

Research On 3d Printing Resin Exposure Properties And Its Application On Centrifugal Microfluidic Platform Based On Fluorescence Detection, Zheng Qiao

LSU Doctoral Dissertations

This dissertation encapsulates significant advancements in the field of SLA 3D printing and centrifugal microfluidics. Central to the research is the development of a novel mathematical model for predicting trapped resin thickness in SLA 3D printing, a groundbreaking contribution that addresses a critical aspect of printing intricate structures. This model, the first to establish a mathematical relationship for resin thickness, is rooted in a comprehensive study of the resin curing process. The research leverages the concept of 'critical dosage' for resin curing, leading to a more refined and theoretically grounded approach for calculating curing thickness. Experimentation further validates the model, …

Investigating The Role Of Fluid Shear Stress During Metastasis On Enhanced Breast Cancer Extravasation, Alejandra M. Ham

LSU Master's Theses

In 2022, ~288,000 American women were diagnosed with metastatic breast cancer which was the leading cause of patient mortality with ~43,000 American women succumbing to the disease. Women can be diagnosed with four different molecular subtypes of breast cancer: luminal A, luminal B, human epithelial growth receptor type 2 enriched (HER2+), and triple-negative breast cancer (TNBC). TNBC accounts for ~12% of all breast cancers, yet it has the worst outcomes. TNBC is highly invasive, with ~46% of TNBC patients developing metastatic disease. A further understanding of metastatic TNBC is needed to provide a greater understanding of how to treat this …

Thermal Frontal Polymerization – Applications In Coatings And Composites, Maria Martinez

LSU Doctoral Dissertations

Thermal frontal polymerization has long been used as a method to cure composites and coatings. However, this is the first time these applications have been used without the use of a catalyst, for the case of composites and coatings.

Chapter 2 discusses how to optimize cure-on-demand, thin layer coatings, using frontal polymerization. Previously, for the use of curing thin layer coating using thermal FP, it was known to just make the formulation viscous enough, as this would prevent premature quenching caused by heat loss. It was discovered that for a given layer thickness, a minimum viscosity and initiator concentration were …

Investigation Of Gas Dynamics In Water And Oil-Based Muds Using Das, Dts, And Dss Measurements, Temitayo S. Adeyemi

LSU Master's Theses

Reliable prediction of gas migration velocity, void fraction, and length of gas-affected region in water and oil-based muds is essential for effective planning, control, and optimization of drilling operations. However, there is a gap in our understanding of gas behavior and dynamics in water and oil-based muds. This is a consequence of the use of experimental systems that are not representative of field-scale conditions. This study seeks to bridge the gap via the well-scale deployment of distributed fiber-optic sensors for real-time monitoring of gas behavior and dynamics in water and oil-based mud. The aforementioned parameters were estimated in real-time using …

Induction Heating Driven Heterogeneous Catalysis: Magnetically Induced Nanoparticle Catalysts, Cameron Lee Roman

LSU Doctoral Dissertations

Heterogeneous catalysis has been and continues to be highly studied due to being one of the cornerstones of the chemical industry. With an increasing demand for chemicals and rising costs, there is a growing need to adapt to changing feed stocks and increase production efficiency. Polymers, oxygenates, and other chemical intermediates are predicted to experience continued growth, corresponding to an increased need for olefines. Due to the abundance of shale gas, researchers and producers are interested in meeting this demand via the dehydrogenation of light alkanes.

While dehydrogenation catalysts are a valuable tool in olefin production, selectivity and deactivation remain …

Carbonate Precipitation Behavior In Co2 Mea Electrolyzers With Cu Electrocatalyst, John C. Hendershot

LSU Master's Theses

Annually, over 35 billion metric tons of carbon dioxide (CO₂) are emitted into Earth’s atmosphere. The accumulated CO₂ emissions in the atmosphere over the last century drive climate change. CO₂ electroreduction (CO₂ER) is an emerging technology that aims to recycle carbon emissions from the industrial sector by using CO₂, H₂O, and electricity as a feedstock to produce ethylene (C₂H₄) at current densities as high as 1 A cm^-2 and Faradaic efficiencies (FE) of 60%. However, CO₂ electrolyzers currently demonstrate poor durability at industrially relevant …

The Fabrication Of Nearly Monodisperse Chiral And Achiral Plasmonic Nanostructures And Their Applications, Macayla J. Caso

LSU Doctoral Dissertations

An object is chiral when it holds no lines of symmetry. This quality naturally occurs in chemistry and biology. When an object is chiral it has a unique handedness and objects of opposite chirality are called enantiomers. The importance of handedness was brought to light in the 1960’s when a racemic mixture of thalidomide enantiomers was given to pregnant women. One enantiomer was able to treat morning sickness while the other caused severe birth defects. This case brought to light how enantiomers have unique properties from each other even though they are similar materials. With this knowledge chiral nanomaterials must …

Physiologically Relevant Fluid Shear Stress Induced Receptor Conversion In Hormone Receptor-Positive (Hr+) Breast Cancer, Jonathan James Cuccia

LSU Doctoral Dissertations

Breast cancer is the most common type of cancer among all people in the United States as of 2023 and often has devastating impacts on afflicted patients. Although some treatments show great efficacy against primary breast tumors, none have been able to significantly reduce the mortality rate of breast cancer once it has metastasized to distant sites. In primary, hormone receptor-positive (HR+) breast cancers, endocrine therapies are often used as first-line treatments and are generally well-tolerated. However, as the disease progresses, these previously sensitive cancers can become resistant to endocrine therapies and continue proliferating despite them. Therefore, there is a …

Computational Design Of Electro-Organocatalysts And Transition Metal Sulfides For The Electrochemical Reduction Of Co2, Foroogh Khezeli

LSU Doctoral Dissertations

Abstract

Electrochemical CO₂ reduction (ECO₂RR) has emerged as a promising approach for generating carbon-neutral liquid fuels by utilizing excess renewable electricity to convert CO₂. This thesis aims to employ atomistic simulations by using Density Functional Theory (DFT) to investigate the mechanistic details of how transition metal sulfides and electro-organocatalysts can enhance the activity and selectivity towards desired products, including those containing C-H bonds and molecules with C-C bonds. For this project, three different electrocatalysts were designed computationally.

Firstly, MoS₂ was chosen as a transition metal sulfide catalyst with the objective of understanding the kinetics …

Design And Synthesis Of Plasmonic Nanoparticles For Nir Bioimaging: Investigating The Role Of Absorption And Scattering, Luis Dias Bumba Manuel

LSU Doctoral Dissertations

Nanoparticles have made vast advances in the realm of nanomedicine and bioimaging, enabling technologies such as photothermal therapy of malignant tumors and noninvasive monitoring of living tissue. Many of these innovations have only arisen in the last few decades with potential for growth in many avenues. The research shown in this work addresses some of the existing literature's void. Particularly solving synthesis challenges that have existed for more than 20 years in synthesizing Au nanoshells and establishing the potential for molecular-level deep imaging of plants. A novel investigation of the role of light absorption and scattering in bioimaging led to …