Chemical Engineering Commons^™

Functionalized Loblolly Pine Derived Ultraporous Activated Hydrochars For Efficient Carbon Capture, Swarna Saha

Theses and Dissertations

The increasing concentration of anthropogenic carbon dioxide (CO₂) emissions has intensified the demand for efficient and sustainable carbon capture technologies. This dissertation investigates the development of functionalized ultraporous activated hydrochars derived from loblolly pine through hydrothermal carbonization (HTC) followed by chemical activation for enhanced CO₂ capture applications. Different functionalization strategies, including deep eutectic solvent (DES) modification, zeolite-assisted HTC, palladium-assisted HTC, and CO₂-assisted HTC, were systematically explored to evaluate the influence of pore structure, surface chemistry, and adsorption energetics on CO₂ capture performance. The synthesized materials were characterized using BET, FTIR, XRD, TGA, SEM, and adsorption isotherm modeling to establish the …

Green Pathways For Phytic Acid Extraction From Agriculture Residue For Flame-Retardant Applications, Laura Fronchetti Guidugli

Theses and Dissertations

The increasing generation of agricultural residues and the growing demand for sustainable chemicals and materials have intensified the interest in valorization of biomass-derived resources within a circular economy setting. Wheat bran, a major by-product of the cereal processing industry, accounting for approximately 14-30% of the wheat grain, represents an abundant and underutilized feedstock rich in phytic acid (PA, IP6), a phosphorus-containing biomolecule with applications in the food preservation, antioxidant, and flame-retardant sectors. However, conventional phytic acid recovery methods rely heavily on acid-assisted extraction processes that generate significant waste streams and environmental burdens. Therefore, the objective of this dissertation was to …

Performance Enhancement And Modeling Of Thermochemical Conversion Of Herbaceous And Hardwood Biomass Via Gasification With Integrated Sustainability Evaluation, Sanal Kumar Ap Mr

Theses and Dissertations

This thesis investigates the thermochemical conversion of three biomass feedstocks, namely Prosopis juliflora (PJ), Oryza sativa rice husk (RH), and Sesamum indicum stalk residue (SR), through experimental, simulation, and environmental analyses to evaluate their suitability for sustainable energy production. Thermogravimetric analysis (TGA) was conducted under inert conditions at multiple heating rates to study the thermal degradation and kinetic behavior of the biomasses.

Activation energy was evaluated using Kissinger, Flynn–Wall–Ozawa (FWO), Kissinger–Akahira–Sunose (KAS), Friedman, and Coats–Redfern methods. The results indicated that SR exhibited the highest thermal stability, followed by RH and PJ. Experimental gasification studies were carried out in a throatless …

Vibro-Seismic Approach For Remediation Of Near-Wellbore Damage, Mounira Ahmed Abdallah

Theses and Dissertations

The research highlights the importance of vibro-seismic technology in the oil and gas industry. The primary objective of this study is to demonstrate how the vibro-seismic method enhances formation properties which are porosity, and permeability. Ultimately, this will lead to improved productivity and its application to remove the wellbore damage.

The research discusses whether or not the formation properties will be enhanced by the optimized acoustic vibration formation parameters. The thesis details laboratory experiments on core plugs, and four key findings are presented. The experimental work first showed that the use of the proper and optimum parameters enhanced the porosity …

Engineering Nanoelectrocatalytic Systems For Co2 And Nitrate Conversion Into Value-Added Chemicals, Abdelrahman Mohamed Abdelmohsen

Theses and Dissertations

The thesis addresses two major related environmental crises: nitrate pollution of water systems and the ever-increasing levels of atmospheric carbon dioxide. Both challenges are closely linked to anthropogenic disturbance of nitrogen and carbon cycles and require sustainable, energy efficient mitigation techniques. In this study, we investigate electrochemical conversion routes as a unified approach to convert these pollutants into value-added compounds: ammonia (NH3) via nitrate reduction (NO3-RR) and ethylene (C2H4) via carbon dioxide reduction (CO2RR). The first half of this work deals with the design and engineering of Cu-Zn alloy electrocatalysts for efficient NO3-RR. Tuning the alloy composition and surface nanostructure …

The Effect Of Ionic Components On The Performance Of A Model Direct Seawater Electrolyzers, Fethi Mustafa Cimen

Theses and Dissertations

Direct seawater electrolysis (DSE) has gained increasing attention as a sustainable method for hydrogen production that does not require purified water resources. The ionic composition of seawater, especially the concentrations of sodium (Na+) and chloride (Cl-) ions, plays a critical role in determining the electrochemical behavior, membrane transport properties, and overall system performance. This thesis presents a numerical investigation of a model direct seawater electrolyzer with a focus on understanding how changes in seawater ionic strength influence device operation.

A three-dimensional multiphysics Computational Fluid Dynamics (CFD) model was developed in STAR-CCM+ to simultaneously solve heat and mass transport, charge transport, …

Fly Ash Proppant Developed For Hydraulic Fracturing, Raz Rzgar Haydar

Theses and Dissertations

Proppants are critical components in hydraulic fracturing, used to maintain fracture conductivity and enhance reservoir stimulation. In high-pressure and harsh reservoir environments, the use of high-strength proppants is essential to ensure well performance. Conventional proppants, being sand, ceramic, and sintered bauxite can be expensive, and their use often requires costly fracture fluids. This study investigates the possibility of utalizing fly ash geopolymers as a sustainable alternative that is also cost-effective for proppants manufacturing. Fly ash, a by-product from the combustion of coal and other materials, was explored as a base material for proppants, utilizing an alkaline solution as an activator …

De Novo Protein Binding To Zinc Oxide Through Biomineralization Pathways, Jean-Mark A. Francis

Theses and Dissertations

De novo proteins are structurally distinct from proteins found in nature and thus capable of having their amino acid sequence modified to accomplish tasks such as increasing protein-nanoparticle binding without unfolding or decomposing. Zinc Oxide nanoparticles are functionally distinct from their bulk counterparts and are widely used as semiconductors in a variety of fields such as medicine and agriculture. With demand for these nanoparticles increasing, environmentally sustainable methods of Zinc Oxide nanoparticle synthesis are being investigated as an eco-friendly alternative to currently utilized but environmentally hazardous chemical and physical techniques. This research investigates the binding characteristics between Zinc Oxide nanoparticles …

Considerations For Cottonseed Oil As A Feedstock For Renewable Fuels, John Elmore

Theses and Dissertations

As the world population grows and the standard of living improves in developing countries, global energy demand will continue to rise, with energy use in the developing world expected to increase dramatically more than the per capita reductions in developed countries from efficiency improvements. Nearly a third of the total global energy demand is used for transportation, resulting in a substantial contribution to greenhouse gas (GHG) emissions. While the demand for energy rises, initiatives and regulations are underway to mitigate the amount of GHG emissions to Earth’s atmosphere. As efforts progress in industry, governments, and society to reduce the total …

Physics-Informed Neural Network For Maximum Detectable Distance Estimation In Mobile Gamma Spectrometry, Nancy A. Ibrahim

Theses and Dissertations

Accurate estimation of the Maximum Detectable Distance (MDD) is critical for environmental remediation, nuclear incident response, and public safety. Conventional approaches assume stationary detectors and rely on computationally intensive simulations, limiting their applicability for mobile, real-time surveys. Mobile gamma spectrometry introduces additional complexities due to detector motion, variable acquisition times, and heterogeneous backgrounds. This study addresses the central question of how effectively a Physics-Informed Neural Network (PINN) can estimate MDD for mobile gamma spectrometry, while maintaining both accuracy and computational efficiency under dynamically changing environmental conditions. A multi-phase approach was employed, combining field data collection, computational modeling, and operational tool …

Electrode Engineering To Minimize Degradation In Lithium-Sulfur Batteries, Saheed Adewale Lateef

Theses and Dissertations

Lithium-Sulfur (Li-S) batteries have recently received significant attention as a potential candidate for next-generation energy storage technology. This is due to its high theoretical capacity (1675 mAh/g) which can provide theoretical energy density of 2500 Wh/kg as compared to 400 Wh/kg of the current Lithium-ion batteries. Moreover, the earth-abundant sulfur element as well as its environmental friendliness endows unique advantages on the cost and environmental impact. However, there are several roadblocks that need to be addressed for commercial adoption of Li-S batteries, such as: (i) poor conductivity of sulfur and its discharged product; (ii) solubility of lithium polysulfides and their …

Towards Accurate First-Principles Modeling In Heterogenous Catalysis: Ethane Dehydrogenation And Hydrogenolysis Over Pt Catalysts, Mubarak Ayo Bello

Theses and Dissertations

First-principles modeling has become central to heterogeneous catalysis research, offering mechanistic insight and guiding catalyst design, yet conventional approaches often struggle to accurately describe complex catalytic systems due to methodological uncertainties, simplified assumptions, and the structural diversity of nanoparticle catalysts. This dissertation addresses these challenges using ethane dehydrogenation (EDH) and hydrogenolysis (EH) over platinum catalysts as model systems. The first study benchmarks density functional theory (DFT) functionals against the random phase approximation (RPA) for the EDH network on Pt(111), identifying cost-effective functionals and demonstrating the efficiency of BEEF-vdW ensembles for capturing functional uncertainty. The second study (addressed in prior work) …

Towards Accurate First-Principles Modeling In Heterogenous Catalysis: Ethane Dehydrogenation And Hydrogenolysis Over Pt Catalysts, Mubarak Ayo Bello

Theses and Dissertations

First-principles modeling has become central to heterogeneous catalysis research, offering mechanistic insight and guiding catalyst design, yet conventional approaches often struggle to accurately describe complex catalytic systems due to methodological uncertainties, simplified assumptions, and the structural diversity of nanoparticle catalysts. This dissertation addresses these challenges using ethane dehydrogenation (EDH) and hydrogenolysis (EH) over platinum catalysts as model systems. The first study benchmarks density functional theory (DFT) functionals against the random phase approximation (RPA) for the EDH network on Pt(111), identifying cost-effective functionals and demonstrating the efficiency of BEEF-vdW ensembles for capturing functional uncertainty. The second study (addressed in prior work) …

Performance Limiting Factors For Silicon Anodes In Lithium-Ion Batteries, Najmaddin Bashirzada

Theses and Dissertations

The rising global demand for high-performance and sustainable energy storage solutions has placed lithium-ion batteries (LIBs) at the forefront of technological progress. However, the energy density limits of traditional graphite anodes require the investigation of alternative materials. Silicon (Si), with its high theoretical capacity, is a promising anode material. Still, its practical use faces major challenges such as volumetric expansion, unstable solid electrolyte interphase (SEI) formation, and low conductivity. This thesis examines the electrochemical behavior and limitations of Si-based electrodes using coin cells and ex-situ three-electrode cells. A comparison of electrochemical testing methods – i.e., Galvanostatic Intermittent Titration Technique (GITT) …

Detecting Electrical Submersible Pump (Esp) Failures And Estimating Run Life Using Artificial Neural Networks, Mostafa Ahmed Sobhy

Theses and Dissertations

Electric Submersible Pumps (ESPs) are one of the important artificial lift methods for sustaining production in mature and high-water-cut wells; but may suffer frequent failures due to mechanical, electrical, hydraulic, chemical, and operational failures. These failures can yield substantial deferred production and intervention costs. Plenty of ESP installations are fitted with downhole sensors. Yet, it is observed that the current industry practice underutilizes the wealth of available sensor and operational data and lacks standardized, explainable failure-type identification and classification.

In this thesis, a comprehensive Machine Learning (ML) and Deep Learning (DL) framework was introduced for ESPs that simultaneously estimates remaining …

A Contemporary Approach For Exploring The Influence Of Detoxification And Standardization Of Traditional Metallopharmaceutical Product Pharmacological And Toxicological Aspects, Malarvizhi K

Theses and Dissertations

Polyherbomineral formulation possess unique medicinal properties due to the presence of metals and minerals as integral part, as processed in addition to specific herbals. There is an increased interest in metallopharmaceuticals in clinical and research areas, because of their immense therapeutic efficiency towards multiple diseases and evidence for non-toxic claim. Sivanar Amirtham is one of the polyherbomineral Siddha medicine recommended for the treatment of various respiratory diseases and other ailments including antidote therapy for poisonous bites. The present research work attempted for standardization of Sivanar Amirtham preparation as per the traditional standard protocols (including the detoxification process of raw materials) …

Bioprospecting Of Wheat Straw Pyrolysis Aqueous Phase To Combat Multi-Drug Resistant Pathogens, Srividhya K

Theses and Dissertations

Hospital-acquired infections (HAIs) significantly contribute to the emergence and spread of antimicrobial resistance (AMR), primarily through the contamination of high-touch surfaces. Current disinfectants have drawbacks like high environmental persistence, ecotoxicity, and resistance development, prompting the need for environmentally friendly alternatives.

One potential approach is pyrolysis, during which the biomass components are broken down into solid, liquid, and pyro-gas. The aqueous phase of the liquid fraction is usually discarded as waste, but it contains a variety of organic compounds that have the potential for antibacterial and antifungal activity. The present study assessed the anti-infective and anti-biofilm properties of wheat straw pyrolysis …

Design And Investigation Of Deep Eutectic Solvent-Assisted Extractive Fermentation Of Biomolecules, Ramya M

Theses and Dissertations

The increasing demand for sustainable and efficient bioprocessing techniques has prompted the development of novel separation strategies integrating bioproduction with downstream processing. Extractive fermentation has emerged as a promising process intensification to overcome product inhibition and enhance productivity by constantly removing target biomolecules from the fermentation medium. Although the extractive fermentation of acids and alcohols has been extensively studied, less attention has been focused on green solvents and their compatibility, phase-forming abilities, and reactor configurations.

Therefore, advancing extractive fermentation technology necessitates comprehensive studies on solvent systems and the development of modified bioreactor configurations to aid future optimization. Initially, 22 DESs …

Non-Thermal Dbd Plasma-Induced Co₂ Capture And Conversion To Value Added Chemicals, Chinwendu Theresa Umeojiakor

Theses and Dissertations

Electrified CO2 conversion via nonthermal dielectric-barrier discharge (DBD) plasma presents a promising pathway for integrating renewable energy into the carbon cycle, addressing the dual challenges of CO2 reduction and sustainable fuel generation. In this research, DBD plasma technology was integrated with a sorbent material and/or catalytic materials for CO2 desorption and conversion. Specifically, with Ni/Al2O3 as the catalyst, we investigated CO2 splitting (CO2 to CO and 0.5O2) and hydrogenation (CO2 and H2 to CO and H2O) under adiabatic and subcooled conditions. We find that CO2 splitting shows higher efficiency than hydrogenation, particularly at relatively lower power inputs. While CO2 hydrogenation …

Reactive Molecular Dynamics And Method Development For Applications In Renewable Energy And Sorption Equilibria, Woodrow Wilson

Theses and Dissertations

It is crucial to harness energy from sustainable sources to combat the dwindling nonrenewable feedstocks used to produce everyday commodities and fuels. Liquid-phase heterogeneous catalysis has demonstrated remarkable product selectivity and yields for reactions relevant to biomass valorization under mild operating conditions. However, active site characterization is challenging due to the complex solvated environment and interface. Ground-state first-principles (FP) molecular simulations have provided insights into reactive systems in catalysis. These calculations, however, scale poorly with the number of electrons. Observing atomic motion with molecular dynamics (MD) or sampling static properties with Monte Carlo (MC) simulations at statistically relevant lengths- and …

Electrochemically Active Liquid Organic Hydrogen Carriers For Energy Generation And Storage, Jinyao Tang

Theses and Dissertations

The growing demand for sustainable energy has spurred interest in hydrogen as a clean energy carrier, yet its widespread adoption is limited by storage and transport challenges. Liquid organic hydrogen carriers (LOHCs) offer a promising solution by enabling reversible hydrogen storage through chemical redox reactions under ambient conditions. Compared to conventional thermal methods, LOHC electrochemistry provides improved energy efficiency, operational safety, and integration into electrochemical systems. However, key challenges remain, such as catalyst deactivation, limited redox reversibility, and low system-level performance that hinder broader application. Alcohols like isopropanol (IPA) and cyclohexanol (CHOL), and amines like ethylamine, have emerged as promising …

Removal Of Fluoroquinolones From Water Systems Employing Rice Husk Composited Sponges Via Nanoadsorption, Dalia Kanaa

Theses and Dissertations

A novel nanocomposite of polyvinyl alcohol formaldehyde (PVF) sponge loaded with green zinc oxide nanoparticles (ZnONP) and referred to as (NP-PVF) was fabricated as a potential adsorbent of ciprofloxacin from water. A simple mechanical foaming process was used to synthesize the adsorbent. Rice husk extract was used to synthesize zinc oxide nanoparticles (ZnONP) for its phytochemicals as reducing agents. A facile and low-energy-dependent extraction method was used that did not require the use of high-temperature annealing. The synthesized nanoparticles showed a maximum UV absorption at 347 nm, which corresponds to a 3.58 eV band gap energy. FTIR confirmed the successful …

Investigating Solvent Effects On Crystallization Kinetics, Ibrahim Joel

Theses and Dissertations

The use of crystallization for separation is not a recent phenomenon. However, the development of efficient crystallization processes is continually being challenged by the complexity and high cost of new drug substances, coupled with stringent regulatory requirements, which add to the uncertainty surrounding drug launches by pharmaceutical enterprises. Accurate characterization of crystallization kinetics is a key step in crystallizer design, which can be influenced by several factors, including process conditions, scale, and the measurement techniques used for tracking particle evolution. These factors often lead to inconsistencies between kinetic studies, hindering rapid implementation within industrial contexts. This thesis presents a case …

Investigating Structure-Property Relationships Of Bio-Inspired Gel, Mohammad Moinul Hossain

Theses and Dissertations

High-modulus, stretchable, and resilient hydrogels possess a wide array of promising applications across multiple fields, such as the development of sophisticated prosthetic devices, artificial skin, electronic devices, and soft robotics. Elastomeric biopolymers, like resilin, show high stretchability and resilience, facilitating power-amplified movement in various species essential for feeding and defense mechanisms. To mimic the properties of resilin, we developed a hydrogel system of hydrophobic and hydrophilic components. These gels are synthesized by free radical polymerization of acrylic acid (AAc), methacrylamide (MAM), n-tert-beutylacrylamide (BAM) or n-isopropylacrylamide (NIPAM), and poly (propylene glycol) diacrylate (PPGDA). This research aims to compare the large-strain mechanical …

Effects Of Different Blue Light Conditions On Saos-2 Cell Viability, Differentiation, And Mineralization, Jamielyn Alcantara Jarvis

Theses and Dissertations

Photobiomodulation (PBM) is a low-intensity light therapy that uses non-ionizing forms of energy to induce a directed cellular response. Prior work has investigated the effects of blue light exposure at energy densities ranging from 1 J/cm2 to 10 J/cm2 on osteogenic differentiation of human gingival mesenchymal stem cells (hGMSCs), human dental pulp stem cells (hDPSCs), and stem cells from the apical papilla (SCAPs) and shown promising outcomes at 4 J/cm2 and then having a detrimental impact at higher energy densities. One key caveat in prior studies is that the blue light energy density was modulated by changing the light exposure …

Experimental And Numerical Analysis Of Fluidization Of Pelletized Activated Carbon Columns: Effects Of Glass Bead Retention Layer, Amin Nemati Tamar

Theses and Dissertations

In pressure swing adsorption (PSA) processes there is always a desire to process as much gas as possible in the smallest beds possible. This necessarily leads to velocities that, especially during pressure-changing steps, may exceed the adsorbent particle fluidization velocity within the bed. To prevent the possibility of bed expansion and fluidization bed retention systems are usually employed at the top of the bed in the form of dense beads, bags of the same or springs, otherwise the mechanical integrity of the adsorbent might become compromised. PSA process simulation, based on Archimedes’ force balance involving weight, buoyancy and the drag …

Multiscale Modeling Techniques For Electrodynamic Systems, Hunter Teel

Theses and Dissertations

In order to rapidly develop better electromagnetic and electrochemical systems, approaching these complicated topics from multiple perspectives is necessary. The use of mathematical models and numerical simulation offers the ability to evaluate and predict the performance of these systems based off the principles of electrodynamics in an ideal setting. Through the use of Computational Fluid Dynamics (CFD), representative geometries of scales can be created and evaluated to provide insight into the behavior of these systems. Simulation offers a modifiable environment that can approach the relevant physics from both the microscale and macroscale. Conclusions, results, boundary conditions, or other information from …

Determining The Limitations Of Class F Fly Ash Compared To Class G Cement In Hydrocarbon Wells Application, Youssef Helmy

Theses and Dissertations

Cement is a material commonly used in multiple applications in different industries. Among the industries that uses cement is the oil and gas industry. API (American Petroleum Institute) Class G cement that is the most incorporated form of cement used in the cementation of oil and gas wells to provide several forms of protection and stabilization for the casings. However, Class G cement is contested in terms of efficiency, costs, and environmental awareness against Class F fly ash geopolymers by researchers. This research aims to explore the potential limitations that fly ash geopolymer might have for its use in the …

Development, Synthesis And Characterization Of Advanced Low- Cobalt And High-Nickel Cathode Materials For Lithium-Ion Batteries, Arjun Patel

Theses and Dissertations

This dissertation focuses on the improvement of structural and electrochemical stability of active materials for lithium-ion batteries. It explores the modification strategies to mitigate the issues related to Ni-rich cathode materials, along with the continuous production of cathode precursors using a slug flow reactor to improve the quality of the product.

The First part of the dissertation examines the effect of substitution of cobalt with aluminum and iron on the electrochemical stability of Ni-rich lithium nickel cobalt manganese oxide (NCM) materials. This study investigates how Al and Fe doping work and how they impact the performance and stability of these …

Fabrication And Performance Of Scalable Bio-Engineered Porous Layers For Efficient Co2 Capture, Mary Sharon Rose Bondugula

Theses and Dissertations

This dissertation addresses the critical challenge of mitigating climate change by advancing CO2 capture technologies. As global CO2 emissions continue to rise, effective methods for capturing and separating CO2 from industrial processes are essential to combat climate change. Existing CO2 capture systems, such as Pressure Swing Adsorption (PSA) and Temperature Swing Adsorption (TSA), often rely on packed bed designs that face limitations, including poor heat and mass transfer, slow gas diffusion, and low thermal conductivity, reducing their efficiency. To overcome these challenges, this dissertation explores innovative solutions by developing advanced adsorbent coatings and scalable bed configurations.

This research begins by …