Chemical Engineering Commons^™

Design And Development Of A Resonance Ignition System Using Gaseous Propellants, Benjamin J. Hoefer

Master's Theses

This work presents the development and experimental evaluation of a resonance igniter (RI) operating with premixed gaseous propellants. Resonance ignition is a non-electrical ignition concept in which an underexpanded jet impinges on a closed-end Hartmann–Sprenger tube (HST), generating cyclic compression and expansion waves that rapidly heat gas near the tube endwall. A modular experimental system was designed and built to investigate resonance ignition using methane–air and methane–oxygen mixtures. The system includes a supplemental configuration that may probe for mixture conditions favorable to ignition, informing RI testing. Pressure and temperature measurements were used to characterize pressure control, mixture pressure ratio (MPR), …

Glass Transition Temperature Of Plga Nanoparticles And The Application In Drug Delivery, Guangliang Liu

Dissertations

The glass transition temperature (T_g) of poly(D,L-lactic-co-glycolic acid) (PLGA) nanoparticles plays a crucial role in governing molecular mobility, diffusion, and consequently, drug release kinetics. However, the interaction among residual surfactant, drug effect, nanoscale confinement, and release medium on T_g remains insufficiently characterized. This study aims to bridge this gap by correlating the thermal behavior of PLGA nanoparticles with their drug release behavior under physiologically relevant conditions.

In the present study, PLGA nanoparticles were synthesized using both nano-emulsion and surfactant-free nano-precipitation approaches. The influence of residual surfactants - poly(vinyl alcohol) (PVA) and didodecyldimethylammonium bromide (DMAB) - was systematically …

Membrane-Engineered Nanotherapeutic Platforms For Drug Delivery: Hollow Fiber Membrane Synthesis Of Lipid Nanoparticles, Biomimetic Nanocarriers, And Nanobubbles, Zhixiang Liu

Dissertations

Lipid-based nanocarriers have emerged as a cornerstone technology for RNA therapeutics, enabling effective intracellular delivery for applications ranging from vaccination to gene regulation. However, current manufacturing approaches, particularly microfluidic-based platforms, face inherent limitations in scalability, throughput, and structural tunability due to their reliance on confined channel geometries and restricted mixing architectures. Addressing these challenges requires fundamentally new strategies that decouple nanoparticle formation from traditional microscale flow constraints while maintaining precise control over physicochemical properties.

This dissertation presents a comprehensive framework for the design, engineering, and application of advanced lipid-based nanocarriers, centered on a hollow fiber membrane (HFM)—assisted nanopore-mediated assembly platform. …

Machine Learning-Driven Prediction And Mechanistic Insight Into Co2 Adsorption On Biomass-Derived Activated Carbons Using Explainable Ai (Xai), Dalia A. Ali Dr.

Chemical Engineering

To improve CO2 uptake in Biomass-Derived Activated Carbon (BDAC), this study develops a multiscale hybrid digital twin framework. By integrating microscopic descriptors from Density Functional Theory and Molecular Dynamics (DFT/MD) with experimental data from 63 chemically diverse biomass precursors, a Gaussian Process Regression (GPR) model was developed using the Materń 5/2 Automatic Relevance Determination (ARD) kernel. The framework achieved high internal training accuracy (R2 = 0.968) and Root Mean Square Error (RMSE = 0.2552), while providing a realistic generalization baseline across heterogeneous precursors with a 5-fold Cross Validated (CV) R2 of 0.1567 and CV RMSE of 0.283. Explainable Artificial Intelligence …

Modulating Electronic Structure With Linearly Fused Pyrazine Units For High-Voltage And Stable Zinc-Organic Batteries Cathode, Min-Jian Zhao, Li-Bin Zhang, Jin-Tao Wang, Kun Ding, Hai-Mei Liu, Yong-Gang Wang

Journal of Electrochemistry

High-voltage n-type organic cathode materials are critical for constructing zinc-organic batteries (ZOBs) with high energy density and long cycle life. However, the intrinsically unfavorable electronic structures and relatively high LUMO energy levels of most n-type materials often lead to sluggish kinetics, high solubility, and suboptimal discharge voltages (< 0.8 V). Here, we design a small molecule, quinoxalino[2’,3’:5,6]pyrazino[2,3-f][1,10]phenanthroline (DPQP), as a ZOB cathode by introducing locally electron-deficient motifs into the conjugated backbone of aromatic compounds. The linearly fused pyrazine units extending the pyrazine–benzene framework effectively optimize the electronic structure, thereby significantly enhancing the discharge voltage. Meanwhile, the expanded π-conjugated plane suppresses dissolution and accelerates charge-transfer kinetics. Benefiting from these features, the DPQP electrode exhibits an exceptional increase in average operating voltage from 0.61 V to 1.07 V (vs. Zn²⁺/Zn) at 0.1 A·g^–1, with an overpotential of only 140 mV. Notably, no discernible voltage decay occurs as the current density increases, indicating rapid and highly reversible redox kinetics. Furthermore, the DPQP cathode delivers outstanding cycling stability, maintaining over 2000 h of continuous operation at 0.1 A·g^{–1 …}

(Co,Ni,Mn,Cu,Zn)O High-Entropy Oxide Nanotubes As Efficient Bifunctional Electrocatalyst For Oxygen Evolution And Hydrazine Oxidation Reactions, Pan-Yan Chen, Wan-Wan Wu, Heng Bian, Wei-Wei Li, Xin-Sheng Zhao, Lu Wei

Journal of Electrochemistry

High-entropy oxides (HEOs) present significant scientific challenges in both design and synthesis due to their multielement and high-entropy nature, which involves complex combinations of multiple metal cations and oxygen anions, typically arranged in equimolar ratios to achieve structural stability. Herein, one-dimensional (Co,Ni,Mn,Cu,Zn)O high-entropy oxide nanotubes (HEO-NTs) are fabricated by means of a gradient electrospinning strategy with a tailored polyvinyl alcohol (PVA) molecular weight distribution and controlled pyrolysis. Benefiting from the HEO features and the synergistic effect of multicomponent sites, the as-synthesized (Co,Ni,Mn,Cu,Zn)O HEO-NTs exhibit exceptional bifunctional electrocatalytic activity for the oxygen evolution and hydrazine oxidation reactions (OER/HzOR). This study offers …

The Effects Of Solutes On The Growth Of Crystals In Polycrystalline Ice ​, Roberto Nieto Jr, Chinazom Onubogu, Ian Baker

Wetterhahn Science Symposium Posters

The structure of sea ice (NaCl-doped water) differs from freshwater ice. In this project, we will be investigating how ice grows when doped with various solutes such as sodium chloride and sulfuric acid. There are two projects that were investigated. The first project consisted of finding the velocity of the ice growth of deionized water, saltwater, and water doped with sulfuric acid. The second project consisted of observing how the polycrystalline structure of ice differs between deionized water, saltwater, and water doped with sulfuric acid.

Zirconium Metal-Organic Cages: Synthetic Development Of Chromium-Functionalized Ligands, Jim P. Heller, Jonathan E. Pines, Miguel I. Gonzalez

Wetterhahn Science Symposium Posters

Metal-organic cages (MOCs) are a class of highly porous molecules composed of inorganic clusters bridged by highly tunable organic ligands. The synthesis and development of various ligands could allow for more selective and efficient catalysts. Specifically, Chromium-based homogeneous catalysts have recently been commercialized due to their high selectivity in the production of 1-hexene and 1-octene. This project aims to synthesize reusable heterogeneous catalysts composed of chromium-functionalized zirconium MOCs deposited on mesoporous supports.

The current focus of this project is to synthesize and purify the "SNS Ligand." This ligand can coordinate to chromium via its S—N—S moiety. This project specifically focuses …

How Fe(Ii)/2-Oxoglutarate Oxygenase Chooses Chlorination Over Hydroxylation: Electric Field-Driven Ligand Exchange Governs C-Cl Formation, Simahudeen Bathir Jaber Sathik Rifayee, Midhun George Thomas, Anandhu Krishnan, Kritika Gupta, Carter Davis, Tatyana Karabencheva-Christova, Christo Z. Christov

Michigan Tech Publications

Non-heme Fe(II)/2-oxoglutarate (2OG)-dependent halogenases catalyze highly selective C-H halogenation. BesD is a non-heme Fe(II)/2OG halogenase that performs regio- and stereoselective chlorination of the l-lysine (l-Lys) substrate. Understanding the mechanism by which halogenation is favored over canonical hydroxylation is essential for guiding enzyme engineering efforts aimed at converting hydroxylases into halogenases. Here, we combine molecular dynamics (MD) and hybrid quantum mechanics/molecular mechanics (QM/MM) calculations to elucidate the origin of chlorination selectivity in BesD and variants derived from a homologous hydroxylase. Our results indicate that, although the initial inline Cl-Fe(III)-OH intermediate is inherently predisposed toward hydroxylation, it undergoes a two-step isomerization in …

Polymer-Derived Silicon Oxycarbide (Sioc) And Silicon Carbonitride (Sicn) Ceramics For Advanced Electrochemical Energy Storage Applications, Saja Al Ajrash, Erick S. Vasquez-Guardado

Chemical and Materials Engineering Faculty Publications

Preceramic polymers, especially silicon oxycarbide (SiOC) and silicon carbonitride (SiCN) ceramics, have gained significant attention due to their wide range of applications in many fields, particularly in energy storage devices beyond conventional lithium-ion batteries (LIBs). This review focuses on the synthesis, structural characteristics, and properties of SiOC and SiCN ceramics as electrodes for battery applications. Furthermore, their promising applications as electrode materials for energy storage systems are explored, along with the most recent advances in the development of such materials and their use in lithium-ion batteries (LIBs), lithium-sulfur batteries (LSBs), potassium-ion batteries (PIBs), sodium-ion batteries (SIBs), and supercapacitors. This review …

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 …

Technical Advancements In Single-Molecule Spectroscopy For High-Throughput Measurement Of Long-Time Dynamics, Quyen B. Le

Chemical and Biological Engineering ETDs

Single-molecule fluorescence spectroscopy is a powerful technique for resolving transient biomolecular dynamics and quantifying free energy landscapes, kinetics, and binding interactions. However, two fundamental limitations restrict its broader application: slow, labor-intensive data acquisition and the limited observation time imposed by fluorophore photobleaching. These limitations hinder its use in drug discovery and biomedical engineering applications that require both high-throughput and access to long-time dynamics. In this work, both challenges are addressed through technical advancements. First, a simple, generalizable approach is introduced to automate data acquisition, eliminating manual intervention during experiments. This increases the acquisition rate by more than an order of …

Nuclear Deterrence: Enhancing The Mission Through Smart Factory Predictive Solutions, Jarrod Matthew Ronquillo

Chemical and Biological Engineering ETDs

To meet the stewardship and modernization initiatives set by the Department of Energy new technologies must enter the manufacturing facilities within the nuclear deterrent complex. Predictive solutions begin with collecting data. An equipment health monitoring device was created to streamline data collection and organization for equipment and processes. A predictive and process performance dashboard was developed for a deionized water system. The dashboard used Western Electric statistical process rules and a machine learning regression algorithm to predict when the resistivity would fall out of specification. Lastly, a remaining useful life calculation was developed for all equipment related to nuclear deterrent …

Machine Learning Approaches For Predicting Biochemical Oxygen Demand And Ammonium Nitrogen: A Decade-Long Weekly Field Study At A Full-Scale Water Resource Recovery Facility, Hoda Khoshvaght, Ratish Ramyad Permala, Amir Razmjou, Mehdi Khiadani

Research outputs 2022 to 2026

Unlike previous studies that rely on high-frequency (15-min or hourly) datasets, this study is among the first to use low-frequency (weekly) data to evaluate the performance of linear and nonlinear machine learning (ML) algorithms for predicting biochemical oxygen demand (BOD) and ammonium nitrogen (NH4⁺-N) in the primary and secondary treatment effluents from the Subiaco Water Resource Recovery Facility (WRRF) in Western Australia. Various feature selection methods, including filters, wrappers, and embedded methods, were employed to identify the most effective approach that achieves the highest model performance while enhancing computational efficiency. The results demonstrate that a reduced set of …

Sorption And Thermal Conductivity Of Concrete Containing Aggregates Of E-Waste, Rakesh Kumar Saini, Praveen Kumar

Journal of Sustainable Construction Materials and Technologies

In many parts of the world, substantial energy is used to maintain comfortable temperatures in inner parts of the buildings for living and working. Construction materials with low thermal conductivity, if used in the exterior walls and façade etc. in such structures can be useful in lowering the energy demand. On the other hand, moisture ingress through sorption is a common factor contributing in degradation of concrete structures with time. Constituents of concrete may be engineered to some extent to get both the desired attributes, lower thermal conductivity and sorption than normal concrete. The rapid increase in electronic waste, or …

High-Surface-Area Ficus Leaf-Extracted Cuo-Zno-Nio Ternary Nanocomposites For Rapid Adsorption-Assisted Uv-A Degradation Of Direct Blue 15, Kafa’A H. Ali, Mohammed A. Atiya, Ahmed K. Hassan

Karbala International Journal of Modern Science

Direct Blue 15 (DB15) is a long-lasting synthetic dye that pollutes water and is difficult to remove during wastewater treatment. Conventional treatments fail to remove DB15 adequately due to rapid electron-hole recombination, which necessitates photocatalysts with reduced recombination rates for effective dye removal. The study aims to synthesize and evaluate a CuO-ZnO-NiO ternary system as an integrated adsorption and UV-A photocatalysis platform for DB15 removal. Ficus leaf-extracted CuO-ZnO-NiO nanocomposites with four Cu:Zn:Ni ratios (1:1:1, 1:1:2, 1:2:1, 2:1:1) were prepared by co-precipitation, followed by extensive chemical and physical characterization and dye-removal performance measurements. The CuO-ZnO-NiO nanocomposite exhibited hexagonal zinc oxide, cubic …

Valorization Of Ductile Cast Iron Solid Waste As A High-Performance Adsorbent For Crystal Violet Removal: Characterization, Optimization, And Mechanistic Insights, Ibrahim Ibrahim Mr., Abdel Mohsen Turky Dr., Nasser Mostafa Prof., Mai H. Roushdy

Chemical Engineering

Industrial textile wastewater containing synthetic dyes cause serious environmental and health risk, whereas ductile cast iron (DCI) foundries generate over 500 000 tons of waste annually. This study utilizes DCI solid waste as an adsorbent to remove the crystal violet (CV) dye from wastewater. Techniques (XRF, XRD, BET, SEM-EDX, FTIR, TGA-DTG, zeta potential) proved that the waste contains 88.0 wt% periclase (MgO) with nanoscale, high surface area, and abundant surface hydroxyl groups. Response surface methodology showed that the most significant parameters were the adsorbent dose and time contact. The optimal conditions give 93.7% removal efficiency at initial concentration: 38.7 mg …

The Design And Optimization Of A Styrene Production Plant, Kaylee Hardenstein, Amanda Anderson

Honors Theses

This thesis presents the design and economic optimization of a Styrene Production Plant targeting a capacity of 100,000 tonnes/yr at a product purity of 99.8 wt%. The process relies on the dehydrogenation of ethylbenzene in a packed-bed reactor system. Downstream separation is achieved through a series of cooling, phase separation, and distillation operations to recover styrene while recycling unreacted ethylbenzene and recovering valuable byproducts.

A base case design was developed and evaluated using a process simulation software, Aspen Plus V14, and an economic analysis. Sensitivity analysis identified the styrene market price and ethylbenzene raw material cost as the dominant factors …

The Design And Manufacturing Process Of The Concealed Shelf, Mexrojiddinbek Sattorov

Honors Theses

This document contains information regarding the design and build process of the Concealed Shelf, which is a furniture product with hidden storage capability. First, the team members decided on the design of the product, followed by market analysis and manufacturing feasibility. Lean manufacturing principles were applied to improve the process efficiency and reduce waste.

Multiple prototypes were built with varying raw materials and locking mechanisms. Jigs and fixtures were handcrafted to ensure more consistent product quality. Two production runs were conducted to evaluate performance and identify areas for improvement.

The final design includes economic considerations, manufacturing layout, and continuous improvement …

Optimization And Safety Protocols For An Acetone Production Plant, Holley J. Garrison

Honors Theses

The proposed acetone production plant, scheduled for start-up in 2028, is capable of producing 3,750 kg/h of 99.9 wt% acetone. Using an endothermic catalytic dehydrogenation reaction, a feed of isopropyl alcohol (IPA) is reacted to produce 30,000 metric tons per year (MT/y) of acetone. Initial design and economic analysis of this process found that this plant will not be economically viable due to its Net Present Value (NPV) of -$132M. Optimization efforts prioritized reductions in raw materials and improved product recovery. Several optimizations were performed to reduce the feed rate, including switching to the low temperature catalyst, shortening the reactor …