Chemical Engineering Commons^™

Optimized Electrocoagulation Pre-Treatment For Fouling Reduction During Nanofiltration Of Lake Water Containing Microcystin-Lr, Thomas Mckean, Chidambaram Tharmaraiselvan, Sarah Do, S. Ranil Wickramasinghe

Chemical Engineering Faculty Publications and Presentations

Microcystin-LR (MCLR) is a toxin produced by harmful algal blooms that is emerging as a threat to drinking and recreational water systems worldwide. Nanofiltration (NF) is an effective technique for purifying contaminated water sources; however, membrane fouling caused by coexisting organic matter limits the practicality of the process. This research studies the use of an electrocoagulation (EC) pretreatment to limit fouling during the NF process. Water for this study was taken from Lake Fayetteville, a local body of water where MCLR concentrations have been recorded to be >15 µg/L. EC was performed using polyaluminum chloride as a background electrolyte at …

Interaction Of Liquid Phase Diisopropyl Methyl Phosphonate (Dimp) With Material Surrogates For Components Of Soil And Combustion Products Of Metal Fuels, Khushi Sunil Patel

Theses

Combustion products of three different Al-based materials, Al-CaCO₃, Al-SiO₂, and Al-Fe₂O₃ , have been produced to understand their interaction with liquid diisopropyl methyl phosphonate (DIMP), a surrogate for chemical weapon agents. The purpose of this is to see which materials were more effective at DIMP adsorption and decomposition at different temperatures. Prepared materials were characterized using electron microscopy, x-ray powder diffraction, and nitrogen adsorption. Prepared powders were submerged in DIMP and heated in a thermal analyzer, tracking the mass changes as a function of temperature. Surfaces of the recovered materials were studied using …

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 …

Preparation And Modification Of Mxene Composites For Application In Electrochemical Energy Storage, Zhang-Hai You, Ding-Ze Lu, Kiran Kumar Kondamareddy, Wen-Ju Gu, Peng-Fei Cheng, Jing-Xuan Yang, Rui Zheng, Hong-Mei Wang

Journal of Electrochemistry

With the acceleration of advanced industrialization and urbanization, the environment is deteriorating rapidly, and non-renewable energy resources are depleted. The gradual advent of potential clean energy storage technologies is particularly urgent. Electrochemical energy storage technologies have been widely used in multiple fields, especially supercapacitors and rechargeable batteries, as vital elements of storing renewable energy. In recent years, two-dimensional material MXene has shown great potential in energy and multiple application fields thanks to its excellent electrical properties, large specific surface area, and tunability. Based on the layered materials of MXene, researchers have successfully achieved the dual functions of energy storage and …

Theoretical Insights Into The Atomic And Electronic Structures Of Polyperyleneimide: On The Origin Of Photocatalytic Oxygen Evolution Activity, Yi-Qing Wang, Zhi Lin, Ming-Tao Li, Shao-Hua Shen

Journal of Electrochemistry

Polymeric perylene diimide (PDI) has been evidenced as a good candidate for photocatalytic water oxidation, yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration. Herein, with crystal and atomic structures of the self-assembled PDI revealed from the X-ray diffraction pattern, the electronic structure is theoretically illustrated by the first-principles density functional theory calculations, suggesting the suitable band structure and the direct electronic transition for efficient photocatalytic oxygen evolution over PDI. It is confirmed that the carbonyl O atoms on the conjugation structure serve as the active sites for oxygen evolution reaction by the crystal …

Three-Dimensional Melamine Carbon Sponge/Nai As Cathode Materials For Sodium-Ion Batteries, Qian-Ying Huang, Yue Liu, Zi-Xin Lin, Shu-Yi Zheng, Ting-Ting Mei, Yu-Ting Tang, Ying-He Zhang, Jun Liu

Journal of Electrochemistry

The sodium-iodine (Na-I) battery exhibits significant potential as an alternative energy storage device to the lithium-ion battery. However, its development is hindered by inadequate electrical and thermal stability, as well as the dissolution and shuttling of polyiodide. In this study, we report a preparation method for melamine carbon sponge (MC) via carbonizing a commercially available kitchen sponge. It was revealed that the as-prepared MC, composed of unique self-growing carbon nanotubes, could provide both physical and chemical adsorption capabilities for intermediate polyiodides to improve the electrochemical performance of NaI. Consequently, the NaI/MC electrode effectively minimized polyiodide dissolution and reduced the electrochemical …

Understanding The Morphology And Mass Transport Resistance Of Mesoporous Carbon-Supported Pemfc Based On Modeling Analysis, Hao Deng, Jia Liu, Zhong-Jun Hou

Journal of Electrochemistry

Mesoporous carbon supports mitigate Pt sulfonic poisoning through nanopore-confined Pt deposition, yet their morphological impacts on oxygen transport remain unclear. This study integrates carbon support morphology simulation with an enhanced agglomerate model to establish a mathematical framework elucidating pore evolution, Pt utilization, and oxygen transport in catalyst layers. Results demonstrate dominant local mass transport resistance governed by three factors: (1) active site density dictating oxygen flux; (2) ionomer film thickness defining shortest transport path; (3) ionomer-to-Pt surface area ratio modulating practical pathway length. At low ionomer-to-carbon (I/C) ratios, limited active sites elevate resistance (Factor 1 dominant). Higher I/C ratios improve …

Zn–Assisted Synthesis Of M (Mn/Fe/Co/Ni)-N-C Catalysts For Multifunctional Electrochemical Activity, Kemila A. Chaudhary

Electronic Theses & Dissertations

The design and development of atomically dispersed M-N-C catalysts (metal (M) supported on an nitrogen-carbon (NC) matrix with high multifunctional electrocatalytic performance is desirable but proved to be very challenging. Herein, we synthesized M-N-C catalysts (M = Fe, Co, Mn, and Ni) using Zn-assisted high temperature treatment and characterized using various techniques. The prepared catalysts were tested for their electrocatalytic performance towards oxygen and hydrogen evolution reaction (OER and HER) as well as oxygen reduction reaction (ORR) in alkaline media. The results indicated that Mn-N-C catalyst showed higher performance towards both the ORR (E_1/2 = 0.90 V) and …

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 …

Instability-Driven Phase Separation For Quantum Structure Formation In Iii-V Semiconductors, Leonid Miroshnik

Chemical and Biological Engineering ETDs

High temperature phase instability limits the performance of III-V zinc blende semiconductor devices. A technique using an encapsulant and sacrificial layer is developed to reduce thermal degradation by group V sublimation during thermal processing of InGaAs/GaAs structures. This technique is successful in preventing As sublimation and preserving an atomically smooth surface required for surface-sensitive characterization. The degradation of the GaAsSb/InP interface by phase separation is studied. Significant interdiffusion and intermixing occurs due to the formation of a molten InSb at the interface. The intermixing is driven by phase separation and melting of the InSb interfacial layer that enhances atomic mobility. …

Reconfiguration-Driven Assembly Of Inorganic Nanomembranes, Divya Jyoti Prakash

Chemical and Biological Engineering ETDs

This thesis focuses on the guided self-assembly of metastable nanomembranes (NMs) that are either amorphous or polycrystalline. Guided self-assembly of NMs is a robust and scalable method to obtain a variety of three-dimensional structures such as helices, rolled-up tubes, and networks of interconnected channels. These 3D structures have important applications as on-chip actuators, sensors, inductors, transformers, waveguides, and antennas. Furthermore, a large amount of strain and strain gradient can be imparted in NMs by bending them to a nanoscale and microscale radius of curvature, making guided self-assembly on NMs a viable route to extreme strain engineering of amorphous and polycrystalline …

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

Thesis/ Dissertation Defenses

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 interfacial tension (IFT), wettability, emulsification, and rheological properties under reservoir conditions. Experiments conducted at varying temperatures (up to 110°C), IL concentrations (100–3000 ppm), and salinities demonstrated that longer alkyl chain ILs, particularly C16mimBr, effectively reduced IFT by >99% and improved wettability by lowering contact angles up to 15.37°. Statistical modeling …

In-Silico Investigation Of Claudin-16 Self Assembly In Tight Junctions, Baqi Ozomata Atimah

Theses - ALL

Claudin-16 is a member of the Claudin family of proteins, which play a critical role in establishing paracellular permeability within tight junctions between cells. Claudin-16 exhibits diverse properties related to ion selectivity, tissue development, and barrier function. Depending on the context, claudins create channels that permit the passage of specific ions through the paracellular space or form barriers that restrict ion movement. This study focuses on the self-assembly of the human claudin-16 protein, which is essential for ion reabsorption and the proper functioning of the kidney. Molecular simulations were employed to investigate the interactions within dimerized claudin-16 and to elucidate …

Adaptive Noise Estimation And Denoising With Deep Learning For Nmr Spectroscopy, Naveen Asokan

McKelvey School of Engineering Graduate Student Theses & Dissertations

Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful analytical technique widely used for molecular structure elucidation in chemistry, biology, and medicine. However, spectral accuracy is often degraded by noise—particularly in low acquisition time settings—resulting in reduced resolution and obscured chemical features. While traditional noise reduction techniques such as signal averaging can improve spectral quality, they require longer acquisition times, limiting their utility in real-time and high-throughput applications.

This thesis presents a deep learning-based denoising framework designed to enhance the quality of complex-valued NMR spectra. The proposed model, built upon a U-Net architecture, incorporates both real and imaginary components of the …

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 …

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 …}

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. …

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 …