Chemical Engineering Commons^™

Cfd-Coupled Multi-Objective Optimization Of A Solid Oxide Electrolysis Cell Stack, Erin Webb

Theses, Dissertations and Capstones

Solid oxide electrolysis cells (SOECs) can convert steam into hydrogen with lower electrical demand than lower-temperature electrolysis technologies. Their performance depends on coupled fluid flow, heat transfer, species transport, and electrochemical behavior, which makes optimization difficult because improving one response can negatively affect another. Detailed computational fluid dynamics (CFD) can capture these interactions, but the computational cost makes trial-and-error design impractical. This thesis develops a three-dimensional model of a two-cell planar SOEC stack in ANSYS Fluent and couples it directly to a customized NSGA-II in MATLAB. Each candidate design is evaluated using the CFD model rather than a surrogate. Eight …

Utilizing Coal For Mesophase Pitch-Based Carbon Fiber Production: Precursors, Processes, And Progress, Christina M. Thompson

Theses and Dissertations--Chemistry

Graphitic materials possess unique properties due to the unique combination of layered crystalline structure and carbon’s low atomic weight. High performance carbon fiber is one such example, displaying exceptional strength-to-weight ratios, stiffness, and thermal and chemical resistance. These properties render high performance carbon fiber a critical structural reinforcement material in the manufacture of composites across various industries, such as for automotive and aerospace applications. However, balancing fiber performance with precursor and processing costs remains a challenge. As alternative carbonaceous feedstocks are explored, coal has gained interest for utilization in graphitic products as a relatively abundant and low-cost source of aromatic …

Nanostructured Cathode Catalysts For Aem Electrolysis: From Catalyst Design To Degradation And Hydrogen Dynamics, Yamini Kumaran

Electronic Theses & Dissertations (2024 - present)

Anion exchange membrane water electrolysis (AEMWE) presents a promising pathway toward cost-effective and sustainable hydrogen production by integrating the chemical robustness of alkaline systems with the compact, zero-gap design of proton exchange membrane electrolyzers. However, the widespread implementation of AEMWE is limited by the availability of highly active and durable platinum-group-metal (PGM)-free catalysts and by an incomplete understanding of their degradation behavior under realistic operating conditions.

This dissertation focuses on the development, characterization, and mechanistic investigation of nanostructured MoNi₄–MoO₂-based electrodes for efficient and stable hydrogen generation under alkaline and membrane-integrated environments. MoNi₄–MoO₂ nanorods …

Electrochemical Hemoglobin Biosensors For Point-Of-Care Diagnostics, Ashwini Dantanarayana, Gymama Slaughter

Center for Bioelectronics Publications

Hemoglobin (Hb) and its glycated variant (HbA1c) are essential clinical biomarkers for diagnosing anemia, acute hemorrhage, and long-term glycemic control. The growing demand for decentralized point-of-care (POC) testing has accelerated the development of rapid, inexpensive, and portable electrochemical sensing platforms. These technologies exploit the intrinsic redox activity of the heme prosthetic group, yet achieving efficient direct electron transfer (DET) remains a fundamental challenge because the electroactive iron center is deeply embedded within the globin structure. This review critically examines recent advances in electrochemical Hb sensing, tracing the evolution of electrode architectures from conventional carbon substrates to nanostructured materials, including graphene, …

Temperature And Speciation Measurements Of Aluminum-Laden Detonation Flows Via A Three-Color Wavelength Modulation Spectroscopic Sensor, Marc B. Etienne

Graduate Studies Theses and Dissertations 2026

Tunable diode lasers are widely used and are known to be great options for continuous wave lasing applications. Because of their stability and spectral selectivity, they have become an important diagnostic tool for modern combustion research. Previous combustion research, particularly those focused on solid and hybrid rocket systems, have shown that the interaction of aluminum with a reacting flow can greatly affect the dynamics and the thermochemical properties of the surrounding gas, therefore understanding the effects of aluminum-laden flows is critical for the advancement of these propulsion systems. However, due to the high degree of optical interference, high temperatures, and …

Injectable Borate/Borosilicate Bioactive Glass Systems For The Regeneration Of Hard Tissue – A Critical Review Of The Literature, S. Sina Mohammadi, Sunjeev S. Phull, Ryan J. Gilbert, Mark R. Towler

Chemical and Biochemical Engineering Faculty Research & Creative Works

Bone defects caused by trauma, infection, or tumor resection remain difficult to treat because successful repair requires both structural restoration and control of the local pathological microenvironment. Osteolysis, defined as pathological bone resorption, is central to many of these conditions and is commonly driven by excessive osteoclast activity. Clinically translated injectable products such as NovaBone® Putty demonstrate the value of moldable bioactiveglass grafts for defect filling; however, conventional silicate bioactive glasses are permanent and provide limited therapeutic ion release. This limitation has motivated the development of injectable borate bioactive glass (B-BGs) and injectable borosilicate bioactive glass (BS-BG) systems as more …

Evaluation Of A Novel Re-Crosslinkable Preformed Particle Gel For Conformance Control In Ultra-High Temperature Reservoirs, Yanbo Liu, Tao Song, Caleb Kwasi Darko, Thomas P. Schuman, Mingzhen Wei, Baojun Bai

Chemistry Faculty Research & Creative Works

Preferential fluid flow remains a major challenge in subsurface energy production and gas storage operations, resulting in excessive water production in mature oil fields, reduced heat extraction in geothermal reservoirs, and low sweep and storage efficiency in CO₂-EOR projects. Polymer gels are widely used to mitigate high-permeability channels; however, conventional systems exhibit limited plugging efficiency and short lifetimes in ultra-high-temperature reservoirs due to poor thermal stability. This study presents a novel ultra-high-temperature-resistant preformed particle gel (UHT-PPG) developed for conformance control in reservoirs with temperatures of 150–275 °C and severe super-K or channeling problems. The material was evaluated in …

Improving Modeling Of Corrosion Products In The Primary Circuit Of Light Water Reactors Through The Experimental Determination Of Crud Characteristics, Sri Saravana Konganapuram Narasimma Bharathi

Electronic Theses & Dissertations (2024 - present)

High-temperature water flowing through the coolant circuits in pressurized water reactors (PWRs) creates a harsh environment, deteriorating these materials. This corrosion results in the formation of oxide layer(s) primarily composed of nickel ferrites, iron oxides, nickel oxides, and other nickel-iron-chrome spinel oxides. Being exposed to fluid with high flow rates and pressure, these oxide layers can be eroded, resulting in particulate fouling due to the release of corrosion products (Chalk River Unidentified Deposits, CRUD) into the coolant circuit. When CRUD subsequently deposits on fuel surfaces, it negatively affects the fuel performance (heat transfer and fuel failure); in addition, the particles …

Re-Crosslinkable Hyper-Branched Polymer Gels Based On A Transamidation Reaction, Tao Song, Baojun Bai, Thomas P. Schuman

Patents

The present invention generally relates to the field of conformance control in oil fields, particularly to a re-crosslinkable preformed particle gel system, and composition thereof. The composition of the re-crosslinkable preformed particle gel system contains monomers, crosslinkers, a polymer matrix, and additives. Components in the composition for re-crosslinkable preformed particle gel in the present invention have excellent compatibility with each other, and the obtained gel has excellent long term high-temperature resistance property. Different from prior products, in the recrosslinkable preformed particle gel compositions according to embodiments of the present invention, the components that are used to re-crosslink the particle gels …

Solubility And Dissolution Mechanism Of Novel Multi-Ester Headgroup Surfactants In Supercritical Co2, Ning Xu, Yan Ling Wang, Baojun Bai, Shi Zhang Cui, Yu Zhang, Wen Jing Shi, Zhao Nian Zhang, Wen Hui Ding, Pei Xu Ma, Zan Gao

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

To address the limited solubility and applicability of conventional hydrocarbon surfactants in supercritical CO₂, a series of multi-ester headgroup surfactants were designed and synthesized by leveraging the CO₂-philic properties of ester groups. The molecular structures were characterized using Fourier transform infrared (FT-IR) spectroscopy and ¹H NMR. A custom-designed laser-based apparatus was developed to quantify surfactant solubility and systematically investigate phase behavior in CO2. Molecular dynamics (MD) simulations were employed to elucidate structure–solubility relationships across multiple scales, including solubility parameters, interaction energies, radial distribution functions (RDFs), and free volume fractions. Results indicate that, at 323.15 K, …

Ai-Enhanced Smart Sensors For Heavy Metal Detection In Water Treatment, Fatemeh Noorisafa, Amir Razmjou, Asghar Taheri-Kafrani, Fatemeh Ejeian, Mohsen Asadnia, Hamidreza Akbari Ghavamabadi

Research outputs 2022 to 2026

Artificial intelligence (AI) enhances biosensor design by efficiently processing and modeling environmental data. This study employs machine learning algorithms to optimize biosensor parameters for the detection of trace-level heavy metals in aquatic environments, utilizing enzymes, DNAzymes, and aptamers as recognition elements. Machine learning models, including decision trees, random forests, gradient boosting, ensemble neural networks, and GLMM,were trained on extensive laboratory datasets. Among these, the random forest model exhibited the highest predictive accuracy, achieving 71 % for the limit of detection (LOD), 75 % for the minimum concentration of linearity, and 62 % for the maximum concentration of linearity. The AI-driven …

Enhanced Strength And Corrosion Resistance Of Ti-13nb-12ta-10zr-4sn Alloy By Aging Treatment, Yuhua Li, Rong Zhao, Qian Zhang, Haojie Wang, Yujing Liu, Lai Chang Zhang

Research outputs 2022 to 2026

This work investigates the effect of aging treatment on the mechanical properties and corrosion resistance of Ti-13Nb-12Ta-10Zr-4Sn (TNTZS) alloy prepared by vacuum arc melting. The as-cast TNTZS alloy was solution-treated and aged at 450°C (HT450) and 550°C (HT550). Microstructural characterization revealed significant changes in the phase proportion (in vol%), which transformed from 64% β, 19% α, and 17% α″ in as-cast condition to 54% β, 13% α, and 33% α″ for HT450 and 55% β, 25% α, and 20% α″ for HT550, respectively. The tensile strength and yield strength increased from 608 and 424 MPa in as-cast condition to 1192 …

Age-Related Hearing Loss Involves Mitochondrial Dna Instability And Copy Number Depletion In The Cochlea: Insights From In Vivo And In Vitro Models, Akil Turner, Bo Ding, Xiaoxia Zhu, Tam Nguyen, Parveen Bazard, Robert D. Frisina

Chemical and Biochemical Engineering Faculty Research & Creative Works

Age-related hearing loss (ARHL) is a highly prevalent sensory neurodegenerative disorder that involves various molecular mechanisms. The present study investigated if age-related oxidative stress (OS) induces alterations in mitochondrial DNA (mtDNA) copy number and heteroplasmy, using complementary in vivo and in vitro models. Aged (30-month) CBA/CaJ mice have elevated auditory brainstem response (ABR) thresholds amplitudes vs. young (3-month) CBA/CaJ mice, a key physiological characteristic of ARHL The in vitro experiments employed the strial SV-K1 cochlear cell line treated with hydrogen peroxide (H₂O₂). Both the aged cochleae and H₂O₂-treated cells exhibited a significant …

Insights Of Quantitative Imaging And Instantaneous Heat Transfer Coefficient Measurement In Spouted Bed Column, Hasan A. Abdulwahab, Abbas J. Sultan, Amer A. Abdulrahman, Haydar A.S. Aljaafari, Ali A. Yahya, Zahraa W. Hasan, Malik M. Mohammed, Laith S. Sabri, Bashar J. Kadhim, Jamal M. Ali, Muthanna H. Al-Dahhan

Chemical and Biochemical Engineering Faculty Research & Creative Works

In this study, the heat transfer behavior of a conical spouted bed column was imaged for the first time across its entire cross-sectional area and at multiple axial heights. To achieve this, a custom-built quantitative imaging approach was developed. This method combined FluxTeq heat flux sensors with an Arduino-based data acquisition system. The experimental setup enabled instantaneous, spatially resolved measurements of surface temperature, heat flux, and local heat transfer coefficients (LHTC) under various operating conditions. Measurements at different radial locations, angles, and heights provided a comprehensive view of heat transfer behavior throughout the column. The obtained cross-sectional images show that …

Ansys Discovery And Fluent Files For Modeling A Hydrocyclone With Scco2 And Coal Fly Ash, Isaiah Morones, Catherine Brewer

Chemical & Materials Engineering: Datasets

No abstract provided.

Flow Field Characterization Of The Hyperreact Vitiated Hypersonic Wind Tunnel, Erik R. Fernandez

Graduate Studies Theses and Dissertations 2026

Reliable interpretation of hypersonic ground-test data requires knowledge of the thermochemical state delivered to the test section, especially in combustion-heated facilities where the gas is chemically altered before nozzle expansion. This thesis investigates the HyperReact vitiated hypersonic wind tunnel using the effective specific-heat ratio, γeff, as an experimentally inferred indicator of the coupled chemical and gas-dynamic behavior of hydrogen-air vitiated flow. HyperReact produces high stagnation temperatures through hydrogen-air combustion before expanding the mixture through interchangeable converging-diverging nozzles. During this expansion, temperature-dependent specific heats, molecular-weight changes, finite-rate chemistry, and internal energy relaxation can modify the relationship between Mach number, pressure ratio, …

Investigation On Selective Catalytic Reduction For Retrofit Of Commercial Aviation Aircraft Engines, Connor M. Wall

Graduate Studies Theses and Dissertations 2026

As the aviation industry continues to grow, the ever-increase of emissions from the sector becomes a growing concern. While the International Civil Aviation Organization (ICAO) set a goal of net-zero carbon emissions by 2050, there are other emissions like contrails and NOx that must still be addressed. Selective Catalytic Reduction (SCR) has been used in the transportation and power generation industry for over two decades and has been an effective solution for NOx reduction. Even with the success SCR has had in other industries, its capabilities in the aviation industry have been trivially investigated. Aircraft engines pose an unique challenge …

First-Principles Insights Into Electronic And Magnetic Structure At Hybrid Interfaces And Low-Dimensional Materials And Reaction On Surfaces, Bushra Ashraf

Graduate Studies Theses and Dissertations 2026

Low-dimensional materials and transition metal surfaces/interfaces provide complementary platforms for understanding how dimensionality, symmetry, spin–orbit coupling (SOC), and interfacial charge transfer/hybridization jointly control electronic structure, emergent magnetism, and surface reactivity. Using first-principles modeling with experimental comparisons, this work aims to establish interfacial structure–property relationships across low-dimensional systems.

Strained Pd adlayers on 2H-MoS₂(0001) provide a controlled platform to separate strain-driven exchange from interface-induced quenching in an itinerant d-electron metal. Although expansive strain promotes magnetism in free-standing Pd, strong Pd–MoS₂ hybridization and charge transfer suppress the monolayer moment and leave a narrow thickness window where magnetism re-emerges in …

The Development Of An Experimental Chemical Reactor Network Facility For Power Generation And Aviation Gas Turbines, Kesly Lubin

Graduate Studies Theses and Dissertations 2026

Gas turbines are the backbone of power generation globally; however, they are also one of the largest contributors to greenhouse gases and harmful emissions. Advanced combustion strategies, when applied to energy generation, can offer increased optimization of the combustion process with more complete and efficient combustion. With global efforts to reduce NOx formation in energy generation, combustion staging strategies like Rich Quench Lean (RQL), Lean-Premixed (LPM), and Exhaust Gas Recirculation (EGR) have gained more attention in research. The major challenge that exists in the research sector is the ability to evaluate and further develop these techniques at a fundamental level. …

Numerical And Experimental Evaluation Of A Simple, Low-Energy Lunar Volatile Separation Technology, Eleanor L. Zimmermann

Dissertations, Master's Theses and Master's Reports

In-situ resource utilization (ISRU) is the practice of finding, extracting, and using the local resources found on extraterrestrial bodies, such as the Moon and Mars. ISRU enables in-situ production of mission consumables—such as rocket fuel and potable water—which will be critical for establishing a sustainable human presence on the Moon, a goal NASA intends to accomplish by 2028 with the Artemis missions. The separation and liquefaction of locally extracted volatiles—such as water, CO₂, and Methane—is an essential component in lunar surface sustainability, but there are very few technologies being developed for this purpose. This report introduces the Radiative …