Chemical Engineering Commons^™

Predicting Sorption Of Diverse Organic Compounds In Soil-Water Systems: Meta-Analysis, Machine Learning Modeling, And Global Soil Mapping, Jiachun Sun, Kai Zhang, Huichun Zhang

Faculty Scholarship

In recent decades, the environmental detection of various organic compounds (OCs) has highlighted the limitations of conventional soil-water sorption models, which simplify complex experimental conditions and often overlook OCs with polyfunctional and ionizable structures. To address these shortcomings, we compiled a comprehensive soil-water sorption dataset encompassing 20,945 data points for 419 OCs with various functional groups and 1037 different soils. Meta-analysis of the dataset revealed the trends of soil sorption associated with OC substructures, soil properties, and solution conditions. Machine learning models employing the XGBoost algorithm, in conjunction with MACCS fingerprints and experimental conditions, were developed to cover the entire …

Toxicity And Biodegradability Of Novel Boronium Vs Conventional Ammonium Based Anti Microbial Compounds In Wastewater Treatment Systems, Noor Shalan

Poster Presentations

Quaternary ammonium compounds (QACs) are highly effective as disinfectants, herbicides, and pesticides; thus, overuse causes elevated levels of residual toxicity in domestic and industrial wastewater. QACs can be toxic to essential bacteria breaking down pollutants in wastewater treatment plants (WWTPs) and can remain untreated in effluent, harming the environment, and contributing to antibiotic resistance, posing risks to human health. Novel boronium-based antimicrobial compounds have demonstrated efficacy in eliminating bacteria, fungi, and viruses. If the boronium compounds exhibit lower residual toxicity, they could offer a promising alternative to QACs. Because these compounds are still in development, their potential toxicity to the …

Binary Solid/Liquid Equilibrium Of Mixtures Of Thermally Robust Salts And Molecular Compounds For Use As Heat Transfer Fluids, Jared Ridge Mathews

Poster Presentations

Fossil fuels, contributors to climate change that may bear catastrophic consequences, power the entire world. The human species is almost entirely dependent on fossil fuels for energy, but other sources of renewable and environmentally friendly energy must be developed. Concentrated solar power (CSP) is a promising source of renewable energy with hampered potential—better heat transfer fluids (HTFs) are needed for it to be economically feasible. Currently, the HTFs in industrial use are predominantly either synthetic oils or nitrate-based molten salts. Synthetic oils are only stable up to 400 °C, and molten salts often have high melting temperatures, making them prone …

Personalized Model Of Cardiac Fibroblast Signaling Using Patient-Specific Data, Elizabeth A. Schuler

Chemical Engineering Undergraduate Honors Theses

Heart disease is the leading cause of death worldwide for both men and women, and cardiac fibroblasts are critical to heart form and function. Essential roles of cardiac fibroblasts include cell-cell communication, cell-cell signaling, and synthesizing and degrading the extracellular matrix (ECM), which controls structural support and tissue repair of the heart. Abnormal fibroblast signaling can lead to negative impacts, including fibrosis, impaired heart function, and inflammation. A computational model of cardiac fibroblast signaling on Netflux and MATLAB software was adapted and utilized to determine the effect of patient-specific levels of cytokines, hormones, growth factors, peptides, and membrane tension on …

Multifunctional Pvdf Ionogels With Magnetic Nanoparticles For Electroactive And Magnetic Actuation, Alfredo Carrillo Valverde

Chemical Engineering Undergraduate Honors Theses

The fast development of compact and multifunctional electronics has driven interest in smart materials capable of responding to multiple stimuli. Ionogels, polymers that have been swollen with ionic liquids (IL), offer several favorable electrochemical and thermal properties due to their intrinsic ion conductivity, wide electrochemical window, non-flammability, and high thermal stability. However, their poor mechanical properties (e.g., modulus and strength) limit their use in applications. In this work, multifunctional PVDF ionogel composites were made by blending magnetically responsive iron oxide nanoparticles (Fe₃O₄ MNPs) into the polymer matrix. The influence of MNP concentration (9-21 wt%) on composition, ionic …

Using Gaussian Process Regression To Learn Thermodynamic Equations Of State With Uncertainty Quantification, Austen T. Lee

Chemical Engineering Undergraduate Honors Theses

This study investigates the use of derivative-informed Gaussian Process (GP) models to estimate thermodynamic behavior across temperature and density by building a Helmholtz-based equation of state. Argon, a stable monatomic gas, was chosen as a case study within the vapor region. The GP model was trained using values of experimentally measurable properties found by taking first and second derivatives of the original potential function. Results show that while the GP model offered uncertainty quantification and informed thermodynamic behavior, it predicted values that deviated from the ground truth depending on the property. The model exhibited high confidence in regions with substantial …

Development And Validation Of A Computational Fluid Dynamics Model Using Wind Tunnel Experiments, Savanah G. Godwin

Chemical Engineering Undergraduate Honors Theses

A gas release computational fluid dynamics model was developed and validated using a previous wind tunnel experiment conducted by Daniel Williams. This simulation was modeled using CHEM software, and based on experimental conditions used in the University of Arkansas’ Chemical Hazard Research Center’s wind tunnel. These include ultra-low wind speeds, working in the atmospheric boundary layer, and using finite release durations with a neutrally buoyant gas. The simulation was developed in two phases: inflow and release. The inflow phase consisted of the development of the atmospheric boundary layer. The data from the simulation aligned well with the wind tunnel data. …

Resurrecting Mslrp The Diagnosing, Documentation, And Demonstration Of Miniaturized Sequential Liquid Lignin Recovery And Purification, Robert Booth Whiting Lowery Jr

All Theses

A pilot plant designed for the Sequential Recovery and Purification of Liquid Lignin was downsized to perform optimization and minor adjustments at a reasonable time and operational cost. Multiple failed runs proved the need for a redesign, and an analysis was performed to solve the newly discovered scaling issues.

Operators identified several common failure points of the mSLRP and theorized several methods to rectify them. This included a rework of both procedural elements, the physical construction of the pilot plant, and the actual code and control of the pilot plant’s operating system, LabVIEW.

Runs were attempted, and eventually, the corrective …

Ultrafast Laser Surface Structuring For Wettability Control On Copper, Akshay Arvind Nagvenkar

All Theses

Wettability is a crucial surface property influencing various phenomena, including heat transfer, cell adhesion, and corrosion. Engineering devices can achieve superior performance by precisely manipulating surface wettability. As a result, extensive research has focused on developing surfaces that exhibit either extreme water attraction (superhydrophilic) or strong water repellency (superhydrophobic). Tailoring surface wettability paves the way for numerous applications, such as drag reduction in marine vessels, controlled drug delivery, efficient water collection, advanced liquid transport systems, oil-water separation, anti-corrosion coatings, friction reduction, and self-cleaning materials. Ultrafast laser surface structuring is a promising approach for engineering multifunctional surfaces, effectively modifying material properties …

Binary Solid/Liquid Equilibrium Of Mixtures Of Thermally Robust Salts And Molecular Compounds For Use As Heat Transfer Fluids, Jared Ridge Mathews

Honors Theses

Fossil fuels, contributors to climate change that may bear catastrophic consequences, power the entire world. The human species is almost entirely dependent on fossil fuels for energy, but other sources of renewable and environmentally friendly energy must be developed. Concentrated solar power (CSP) is a promising source of renewable energy with hampered potential—better heat transfer fluids (HTFs) are needed for it to be economically feasible. Currently, the HTFs in industrial use are predominantly either synthetic oils or nitrate-based molten salts. Synthetic oils are only stable up to 400 °C, and molten salts often have high melting temperatures, making them prone …

Development And Characterization Of Quercetin-Loaded Microparticles Via Spray Drying For Pulmonary Drug Delivery Applications, Daniel Jose Perez Torres, Samantha Ann Meenach

Senior Honors Projects

Pulmonary inflammation is associated with respiratory

disorders such as pulmonary arterial hypertension and chronic

obstructive pulmonary disease. A hallmark of these diseases is

an increase in reactive oxygen species in the body, leading to

further inflammation and acerbation of these diseases.

Fortunately, a class of natural products termed plant-derived

flavonoids have been found to alleviate inflammation and

oxidative stress in lung tissue, making them promising

therapeutic agents for the treatment of pulmonary diseases.

Flavonoids are accessible and cost-effective, with quercetin

being one of the most commonly consumed flavonoids in the

human diet. Despite its therapeutic potential, the efficacy of

quercetin …

Modeling Cell Buildup And Release In An Ultrafiltration Cartridge, Holiday B. Derosier

Chemical Engineering Undergraduate Honors Theses

While membrane filtration has improved greatly and has been incorporated into many modern practices, there isn’t much data on material exchange in and out of the lumen and how that effects the overall efficiency of the process. This data may help to accurately measure the reliability and efficiency of a filtration membrane system, which can lead to improvements in filtration sustainability, process lifespan, and product quality.

This project aims to model the material balance within a perfusion bioreactor ultrafiltration system in MATLAB, with a focus on bioreactors and cell buildup and release from the lumen. The results of this study …

Engineering Affinity Of Yth Protein To M6a-Rna, Katelynn E. Horvath

Honors Scholar Theses

Engineered RNA-binding proteins (RBPs) show promise for diverse applications in research and therapeutic development. Modulating the interaction between YTH-domain containing proteins and methylated RNA ligands could result in a high affinity, highly specific binding protein for the advancement of research tools in neurodegenerative disease. N6-methyladenosine (m6A) modified RNA contributes to stress granule formation that promotes neurotoxicity in neurodegenerative disease, with concentrations of m6A-RNA increased fivefold in Alzheimer’s Disease. Further affinity maturation of the YTH-m6A interaction through directed evolution of the YTH domain could produce a novel protein with increased affinity better suited for the development of biological detection tools or …

Feasibility Of Liquid Carbon Sources For Algae Growth, Brady S. Jones

Chemical Engineering Undergraduate Honors Theses

This thesis explores the use of electrochemically produced aqueous bicarbonate as a novel liquid-phase carbon source for enhancing algal biomass productivity. Targeting the freshwater microalgae Chlorella Saccharophila, the study investigates its growth response to varying bicarbonate concentrations and compares the efficacy of liquid bicarbonate delivery with traditional gaseous CO₂ bubbling methods. Results demonstrate that Chlorella Saccharophila can sustain growth solely on bicarbonate, and that bicarbonate-fed cultures yielded higher biomass than those supplied with gaseous CO₂ or hybrid systems. These findings validate the potential of bicarbonate-based carbon delivery for scalable algae cultivation, offering key advantages such as gas-free operation, improved …

Evaluating Fly-Ash As A Sustainable Solution For Contaminant Removal From Wastewater, Calyn Wisdom

Chemical Engineering Undergraduate Honors Theses

Access to clean and safe water is an escalating global concern due to the persistent presence of toxic contaminants in aquatic environments. Among these, synthetic dyes and per- and polyfluoroalkyl substances (PFAS) represent two distinct yet significant classes of pollutants, both posing serious environmental and public health risks. Dyes in water contribute to intense coloration, elevated chemical and biological oxygen demand (COD and BOD), reduced light penetration, and disruption of aquatic ecosystems, with potential health risks to humans upon exposure. PFAS, often termed "forever chemicals," are synthetic organofluorine compounds associated with a range of adverse health effects, including endocrine disruption, …

The Augmentation Of A Solar Panel Lab For The Chemical Engineering Curriculum To Introduce Sustainability Principles, Lane A. Wilkins

Chemical Engineering Undergraduate Honors Theses

Photovoltaic solar cells are utilized in solar panels to convert sunlight into usable electricity. Since the energy derived from solar panels produces far less greenhouse gas than typical fuels such as coal and natural gas do, it is considered a clean source of energy and is vital to sustainability efforts. Sustainability is often defined by three pillars: environmental, social, and economical. Solar energy incorporates each of these pillars into its process, allowing it to be an effective tool to teach sustainability to students. A previously written lab that employs solar panels focused on the efficiency of converting light into electricity. …

Engaging Future Engineers: Utilizing Ai-Generated Video To Promote The Chemical Engineering Profession, Madeline G. Mondebello

Chemical Engineering Undergraduate Honors Theses

The expected incline of the chemical engineering profession faces a growing need to attract the next generation of prospective students. This research explores the use of artificial intelligence (AI) software to create an innovative form of media fit for secondary school and early college outreach. The pre- and post-video questionnaires were taken by a voluntary population comprised of high school students, college students, and parents. Overall, the feedback received was generally positive but indicated that the AI avatars and the lip-sync discrepancies may disrupt the video more than enhance it. In the future, a larger population will be surveyed to …

Measuring Selectivity Of Ion Exchange Resin For Use In Activated Wafer Electrodeionization, Hope M. Coffman

Chemical Engineering Undergraduate Honors Theses

Ion exchange resins are a type of ion exchange material used throughout industry. Their insolubility allows for the exchange of ions and an easy separation of the resin itself. They are used alone in industry, but they are also found in processes such as electrodialysis and electrodeionization. This research investigates the selectivity of chloride form ion exchange resin in the presence of solutions of lactate and formate ions. The work of this thesis is a part of a larger study investigating the conversion and separation of glucose into lactic acid via coupled electrocatalysis and electrodialysis. The results of this study …

Composition And Rich/Lean Loading-Dependent Density Measurements Of A Series Of Aqueous Ionic Amines For Co2 Capture, Claudia Nguyen

Honors Theses

As climate change worsens worldwide, there is a drive to develop more efficient and sustainable methods to mitigate its impact through carbon capture methods like carbon dioxide scrubbing. Carbon scrubbing directly captures carbon dioxide (CO2) emissions from industries or power plants before they are released into the environment. The CO2 captured can be utilized for various applications or can be stored underground. However, this method faces numerous challenges, such as the degradation of the solvent or corrosion of equipment. As a result, research has expanded to find a better medium to overcome these issues. In particular, aqueous ionic amines (AIA) …

Tuning The Morphology Of Triblock Copolymers Via Homopolymer Blending, John F. Searles

Honors Theses

Morphology plays an important role in the physical properties of block copolymer (BCP) materials. Depending on the type of morphology and chemical composition of the blocks, BCPs are used in applications ranging from soft biomaterials for biomedical devices to rigid materials for ballistics protection. Due to incompatibility between comonomers and required block weight ratios to achieve targeted morphologies, it is generally necessary to use complex, time-consuming, and expensive synthetic techniques to prepare BCPs. As a result, there is increased interest in the development of new processing methods to tailor block copolymer morphology without the need for additional synthesis. The morphological …

Computationally Guided Liquid Crystal-Based Competitive Binding Sensing Platform For Optical Detection Of Spike Protein, Homa Ghaiedi, Shubham Pandey, Sophia Ezendu, Tibor Szilvasi, Karthik Nayani

Chemical Engineering Faculty Publications and Presentations

A liquid crystal (LC)-based sensing platform for the rapid optical detection of SARS-CoV-2 ' s spike protein's receptor binding domain (RBD) domain is introduced. This platform utilizes a thermotropic LC, hosted on metal-cation decorated substrates, onto which the spike protein can competitively bind. Density functional theory (DFT) calculations guide the experiments that reveal a homeotropic-to-planar transition in the LCs upon exposure to SARS-CoV-2 spike-decorated yeast, providing a basis for sensitive virus detection. The sensor's reversibility/specificity is confirmed through antibody-induced orientation recovery of the LCs initial orientation. Strikingly, the sensor can detect approximate to 2000 copies of the spike protein per …

The Effect Of Catalyst Choice On Biodiesel Yield And Quality Using Waste Cooking Oil As A Feedstock, Neka Long

Honors Theses

Biodiesel is one current area of interest as a replacement for traditional diesel fuel. Benefits of biodiesel include that it can be derived from renewable resources, and it possesses properties similar to that of traditional diesel fuel. Biodiesel is often produced through a catalyzed transesterification process, which involves the use of a catalyst to aid in the conversion of triglycerides into alkyl esters. A method called the transesterification double step process (TDSP) was researched and used in this project due to the success seen using this method for the conversion of waste cooking oil to biodiesel. In this project, four …

Cooperative And Bifunctional Ga-Ca-Cr2o3@Cao Structured Monoliths As Versatile Platform For Reactive Capture Of Co2 And Its Subsequent Conversion To Ethylene, Khaled Baamran, Ali A. Rownaghi

Chemical and Biochemical Engineering Faculty Research & Creative Works

Cooperative and bifunctional materials (BFMs) that integrate adsorbents and catalysts offer a promising strategy for the reactive capture of CO₂ to produce valuable fuels and chemicals. In this study, we developed structured BFMs via 3D printing that combine CaO as an adsorbent with Ga–Ca–Cr₂O₃ metal oxides as the catalyst for the reactive capture of CO₂ and its subsequent conversion to C₂H₄ via the oxidative dehydrogenation of C₂H₆ (CO₂-ODHE). Three different Ga–Ca compositions were used to modify the catalyst surface characteristics and enhance C₂H₄ selectivity. …

Kinetic Growth Rate Analysis Of Coelastrella Sp. In Aquaculture Wastewater., Rob Skarvan

Master of Engineering Theses

The demand for sustainable food and energy production continues to rapidly rise. Utilizing aquaculture wastewater as microalgae growth medium is a potential opportunity for nutrient recycling and industrial symbiosis, but more research is required to understand how best to design and scale-up a dual-purpose facility. This study investigates the growth of Coelastrella sp. in aquaculture wastewater compared to industry-standard growth medium BG-11 and modified tap water as controls. Though cell size and pigment density varied throughout media, aquaculture wastewater performed very comparably to BG-11 as a microalgae culture broth.

The Monod equation can model Coelastrella sp. growth based …

Mechanistic Insights Into Polymer-Assisted Graphene Exfoliation: The Roles Of Velocity, Adhesion, Cohesion, Temperature, Peeling Mode, And Edge Defect Via Coarse-Grained Molecular Dynamics, Linjiale Dai

All Theses

Graphene exfoliation is a critical step in the fabrication of high-quality graphene

layers. However, the underlying fracture mechanisms remain poorly understood. In this

work, I employed coarse-grained (CG) molecular dynamics (MD) simulations to

investigate how factors such as interfacial binding energy, substrate cohesion, temperature,

peeling mode, and edge defects influence the outcome of the exfoliation process. To model

polymer-assisted mechanical exfoliation, I used a finite-size system in which multilayer

graphene (MLG) is sandwiched between two thin polymer films. Leveraging the

spatiotemporal efficiency of the CG model, I performed fifty simulation iterations per

parameter set and analyzed the results from a …

Assessment Of H2s-Induced Cracking Susceptibility In Steam Line Pipes And Weld Zones During Geothermal Well Construction, Riene Kaelamanda Pragitta, Yudha Pratesa

Journal of Materials Exploration and Findings

The susceptibility of steam line pipes, especially in the HAZ (heat-affected zone) and weldment areas, to hydrogen sulfide in the geothermal industry is crucial to understand from the early stages, particularly during construction. The combination of tensile stress from residual stresses after welding and metallurgical phase transformation makes the joint areas vulnerable to sulfide stress cracking. This condition becomes even more extreme when the equipment operates during the well stimulation phase. This research assesses the severity of H₂S-induced cracking using NACE MR0175 and ISO 15156-1 standards, focusing on the effects of pH and partial pressure of H₂S (p_{H₂S …}

Utilization Of Imidazolium Ionic Liquids For Enhanced Oil Recovery In Harsh Emirati Tight Carbonate Oil Reservoirs, Noran Hussein Mousa

Dissertations

In response to the increasing global demand for energy and the limitations of traditional chemical oil recovery methods, this study explores the potential of imidazolium-based ionic liquids (ILs) as enhanced oil recovery (EOR) agents for Emirati tight oil reservoirs. Four ILs—C10mimCl, C12mimCl, C12mimBF4, and C16mimBr—were evaluated for their effects on the interfacial tension (IFT), wettability, emulsification, and rheological properties under reservoir conditions. Experiments conducted at varying salinities, temperatures (up to 110°C), and IL concentrations (500–3000 ppm) demonstrated that longer alkyl chain ILs, particularly C16mimBr, effectively reduced IFT by >99% and improved wettability by lowering contact angles down to 15.37°. Statistical …

Incorporating Recycled And Repurposed Plastic Into 100% Reclaimed Asphalt Pavement, Basant Bhatt

Graduate Theses and Dissertations (2019 - present)

The increasing awareness of sustainability in the asphalt industry has driven the use of recycled materials like reclaimed asphalt pavement (RAP) and waste plastic. This study examines the incorporation of recycled polypropylene (rPP), recycled high-density polyethylene (rHDPE), and recycled low-density polyethylene (rLDPE) at 0.3%, 0.6%, and 0.8% dosages into 100% RAP, along with the warm mix asphalt additive Evotherm® P25. Laboratory tests were conducted to evaluate the mechanical and durability performance of the modified asphalt mixtures while rutting and fatigue life were evaluated using mechanistic-empirical (ME) analysis in PerRoad software. Both plastic type and dosage had a statistically significant impact …

Development Of Translational Microscale Systems To Interrogate How Biophysical And Biochemical Cues Alter The Phenotype Of Hormone Positive Breast Cancer, Braulio Ortega Quesada

All Dissertations

Cancer is a complicated disease and one in every three diagnoses are women with breast cancer. Recent research shows that the progression of cancer depends strongly on interactions with other non-cancerous cells and non-cellular components. Metastasis, the spread of cancer to other parts of the body, is a key step in cancer progression and makes treatment harder, leading to poor response to treatments culminating in death in ~90% of patients. This dissertation focused on creating a series of microdevices as novel pre-clinical models of breast cancer. Two different devices were fabricated to (1) study how exposing cancer cells to the …

Design And Characterization Of Lignin-Based, Thermoresponsive Soft Composites With Improved Mechanical And Transport Properties, Missoury D. Wolff

All Dissertations

In an attempt to reduce reliance on petroleum-based polymers, lignin – an abundant biopolymer – has gained popularity as a sustainable alternative. However, research on lignin-containing soft composites – i.e., hydrogel (bio)composites – has largely been heuristic, providing limited insight into the fundamental structure-processing-property relationships that govern performance improvements in this emerging class of ‘green’ soft composites. As such, this dissertation presents a systematic investigation of how lignin molecular weight (MW), composite composition, and the concentrations of crosslinker and accelerator impact the mechanical and transport characteristics of soft composites composed of lignin, poly(N-isopropylacrylamide) (PNIPAm), and poly(vinyl alcohol) (PVA).

In the …