Chemical Engineering Commons^™

The Effects Of Snow Cover On The Dynamic Pressure Of Nuclear Detonation Blast Waves, Adam Card, Andrew W. Decker

Faculty Publications

Blast pressure is the primary military targeting metric for nuclear weapons. Any local conditions that affect blast pressure have the potential for altering nuclear plans, both from defensive and offensive standpoints. Understanding the impact of snow to the blast wave, therefore, provides a benefit both to military planners and to warfighters on the ground, for any operation occurring in arctic environments. No existing data provides a quantitative description of how snow on the ground affects a nuclear detonation blast wave passing over it. Similar blast waves passing over dust have experimentally proven to enhance blast pressure in a localized region.1 …

Josephson Junctions: Fabrication And Applications For The Axion Dark Matter Experiment, Jonah M. Sachs

Senior Honors Papers / Undergraduate Theses

The observation of axions could revolutionize the world of physics. Through microwave frequency cavity readout of the photons associated with these axions, the ADMX project at WashU utilizes multiple different forms of the Josephson junction (JJ), a superconductive circuit element. The physics behind the JJ are essential to understanding its operation for resonant cavity readout in addition to parametric amplification. Parametric amplifiers produced using JJs can approach the signal-to-noise ratio set by quantum mechanics, and prove essential for the amplification chain used by the ADMX experiment for axionic detection. The limits of these amplifiers are set by the noise tuning …

A Comparison Of Unconventional Microwave And Ultrasound-Assisted Extraction Methods Used For Flavonoids, Istiqomah Rahmawati, Daffa Hafiziaulhaq Azizi, Jihan Nafila Wibowo, Muhammad Reza, Boy Arief Fachri, Bekti Palupi, Meta Fitri Rizkiana, Helda Wika Amini, Ifan Ramadana, Felix Arie Setiawan

Makara Journal of Science

Cocoa pods (Theobroma cacao L.) are a rich source of flavonoids, which are natural antioxidants known for their health benefits. This study investigated the use of microwave-assisted extraction (MAE) and ultrasound-assisted ex-traction (UAE) to extract the maximum flavonoids and antioxidants from cocoa pods. MAE and UAE are efficient and sustainable methods for extracting bioactive compounds like flavonoids and antioxidants from cocoa pods, offer-ing faster extraction, reduced solvent use, and better compound preservation compared to conventional methods. These technologies unlock the untapped potential of cocoa pods for applications in food, cosmetics, and pharmaceuti-cals. The effects of extraction time (2–10 min), microwave …

Solid-State Crystallization Of Zeolites And Their Use In Plastic Upcycling Applications, Yixin Liao

Doctoral Dissertations

Plastics have been an irreplaceable component of modern technology as well as everyday life. They have brought much convenience to us with their characteristics of great malleability, durability, and stability. The versatile and low-cost nature of plastics also enables their wide engagement in many modern industries including automobile, medical, communication as well as aerospace. Polyethylene (“PE”), made from polymerization of ethylene, is one of the most widely used plastics in the world. Being cheap, flexible, and long-lasting, they are extensively used in the packaging industry, especially for plastic bags and other sorts of containers. However, the durability of plastics, on …

Thermal Stability Analysis Of Aqueous Ionic Amines For Sustainable Co2 Capture, Li Hua Zang, Keegan Everitt, Kevin West, Brooks D. Rabideau, Breanna Dobyns, James Davis

Shelby Hall Graduate Research Forum Posters

In closed air cabin atmospheres such as those of spacecraft, CO₂ accumulation jeopardizes crew respiratory function and may gradually affect sensitive equipment, making effective air revitalization critical. Traditional CO₂ capture methods like monoethanolamine (MEA) efficiently capture CO₂ but suffer from high volatility, leading to solvent loss and unpleasant odor, as well as corrosion and degradation, requiring frequent replacement. These flaws demand eco-friendly, durable alternatives. This study addresses these limitations by exploring a series of aqueous ionic amines (AIAs), salts similar to MEA in CO₂ capture efficiency but with improved thermal stability—crucial for preventing degradation under high regeneration temperatures and prolonged …

Effect Of Pre-Adsorbed Species On High-Pressure Adsorption Of Methane In Zeolite 5a Using Grand Canonical Monte Carlo (Gcmc) Simulations, Kanhamardi Lao, Brooks D. Rabideau

Shelby Hall Graduate Research Forum Posters

Natural gas upgrading, which removes impurities from methane (CH4), is essential for industrial applications, including liquefied natural gas (LNG) production and power generation, as well as for residential use. Removing non-hydrocarbon impurities such as carbon dioxide (CO2), nitrogen (N2), and water vapor (H2O), among others, along with separating heavier hydrocarbon gases from raw natural gas, is required to achieve high- purity methane and prevent pipeline corrosion. Zeolite 5A is a microporous aluminosilicate material with a pore size of approximately 5 Å, containing sodium and calcium cations that balance the framework’s negative charge. Its structure offers high thermal stability and a …

Super-Resolution Imaging Reveals Resistance To Mass Transfer In Functionalized Stationary Phases, Ricardo Monge Neria, Muhammad Zeeshan, Aman Kapoor, Tae Kyong John Kim, Nichole Hoven, Jeffrey Pigott, Burcu Gurkan, Christine Duval, Lydia Kisley

Faculty Scholarship

Chemical separations are costly in terms of energy, time, and money. Separation methods are optimized with inefficient trial-and-error approaches that lack insight into the molecular dynamics that lead to the success or failure of a separation and, hence, ways to improve the process. We perform super-resolution imaging of fluorescent analytes in five different commercial liquid chromatography materials. Unexpectedly, we observe that chemical functionalization can block more than 50% of the material’s porous interior, rendering it inaccessible to small-molecule analytes. Only in situ imaging unveils the inaccessibility when compared to the industry-accepted ex situ characterization methods. Selectively removing some of the …

Biobased Acrylate Composites With Enhanced Strength For Additive Manufacturing, Nicole Wagner, Joseph Mcwherter

Engineering Faculty Articles and Research

With the expanding use of polymers in additive manufacturing, sustainable resins for use in vat photopolymerization are required to reduce their environmental impact. One promising approach to achieve this is to incorporate biobased fillers that replace the acrylates in photopolymer resins as ‘green’ alternatives. In this study, photopolymer composites consisting of a methacrylate resin with varying calcium carbonate powder content between 0 and 50 wt.% were investigated. A digital light processing technique was used to fabricate tensile test specimens for mechanical testing. Good printability, dimensional accuracy, and good interlayer adhesion were observed for composite resin formulations that incorporated calcium carbonate …

Reinforcing Polymer Flooding System With Dendritic Mesoporous Silica Nanoparticles For Improved Oil Recovery, Di Li, Yanling Wang, Baojun Bai, Ning Xu, Wenjing Shi, Yu Zhang, Wenhui Ding, Peixu Ma, Zan Gao

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Dendritic mesoporous silica nanoparticles (DMSNs), characterized by a high specific surface area and abundant hydroxyl groups, offer a promising approach to enhancing the performance of amphiphilic polymers in challenging enhanced oil recovery (EOR) conditions. In this study, DMSNs were successfully synthesized, and systematically evaluated for their impact on the solution properties of a betaine amphiphilic polymer (PADC). The unique "flower-like" mesoporous structure of DMSNs provided approximately 7-fold higher surface area than conventional SiO2, facilitating enhanced polymer-nanoparticle interactions. The DMSN/PADC composite system exhibited significantly improved viscosity, salt resistance, thermal tolerance, and shear resistance compared to PADC and SiO2/PADC systems. Quantum chemical …

Nanostructured Graphitic Carbon Nitride For Photocatalytic And Electrochemical Applications, Muhammad Abdul Qadeer, Iqra Fareed, Asif Hussaine, Muhammad Asim Farid, Sadia Nazir, Faheem K. Butt, Ji-Jun Zou, Muhammad Tahir, Shang-Feng Du

Journal of Electrochemistry

Graphitic carbon nitride (g-C₃N₄) exhibits great mechanical as well as thermal characteristics, making it a valuable material for use in photoelectric conversion devices, an accelerator for synthesis of organic compounds, an electrolyte for fuel cell applications or power sources, and a hydrogen storage substance and a fluorescence detector. It is fabricated using different methods, and there is a variety of morphologies and nanostructures such as zero to three dimensions that have been designed for different purposes. There are many reports about g-C₃N₄ in recent years, but a comprehensive review which covers nanostructure dimensions …

A Cnt Intercalated Co Porphyrin-Based Metal Organic Framework Catalyst For Oxygen Reduction Reaction, Pei-Pei He, Jin-Hua Shi, Xiao-Yu Li, Ming-Jie Liu, Zhou Fang, Jing He, Zhong-Jian Li, Xin-Sheng Peng, Qing-Gang He

Journal of Electrochemistry

The poor electronic conductivity of metal-organic framework (MOF) materials hinders their direct application in the field of electrocatalysis in fuel cells. Herein, we proposed a strategy of embedding carbon nanotubes (CNTs) during the growth process of MOF crystals, synthesizing a metalloporphyrin-based MOF catalyst TCPPCo-MOF-CNT with a unique CNT-intercalated MOF structure. Physical characterization revealed that the CNTs enhance the overall conductivity while retaining the original characteristics of the MOF and metalloporphyrin. Simultaneously, the insertion of CNTs generated adequate mesopores and created a hierarchical porous structure that enhances mass transfer efficiency. X-ray photoelectron spectroscopic analysis confirmed that the C atom in CNT …

New Insights Into Controlling The Functional Properties Of Tin Oxide-Based Materials, Alexandra Kuriganova, Nina Smirnova

Journal of Electrochemistry

Development of methodologies for fabrications of nanostructured materials that provide control over their microstructural features and compositions represents a fundamental step in the advancement of technologies for productions of materials with well-defined functional properties. Pulse electrolysis, a top-down electrochemical approach, has been demonstrated to be a viable method for producing nanostructured materials with a particular efficacy in the synthesis of tin oxides. This method allows for significant control over the composition and shape of the resulting tin oxides particles by modifying the anionic composition of the aqueous electrolyte, obviating the need for additional capping agents in the synthesis process and …

Development And Characterization Of Polysaccharide-Based Controlled Drug Delivery Platforms, Amanda Pepler

Open Access Dissertations

Drug delivery research focuses on overcoming challenges in patient treatment. Most therapeutics are delivered systemically through oral or intravenous routes. However, these administration methods are often inefficient due to therapeutic hydrophobicity, poor bioavailability, and liver metabolic clearance, necessitating frequent dosing. When treatment plans require frequent dosing, patients experience significant fluctuations in therapeutic concentration in the bloodstream, which can increase adverse side effects. These factors contribute to low patient compliance. Therefore, the core focus of drug delivery research is to develop new administration routes for therapeutics. Drug delivery systems (DDS) that can target therapeutics to a localized region offer advantages over …

Metathesis Or Isomerization: Counteranion Directed Reactivity Of Grubbs I, Paul D. Miller, Joe B. Calkins, Craig A. Bayse, Trandon A. Bender

Chemistry & Biochemistry Faculty Publications

Catalytic isomerization of alkenes has garnered interest for many years, but there are remaining challenges when it comes to thermodynamic selectivity and uncontrolled isomerization. Nonbiased substrates, be it sterically or thermodynamically, remain challenging for many catalysts, with a few examples available in the more modern literature. Herein, we present the controlled isomerization of linear alkenes with a cocatalytic mixture of commercially available catalyst and reagents: Grubbs I, tris(pentafluorophenyl)borane, and triethylsilane. DFT calculations indicate that an observed alkylidyne hydride intermediate is in rapid equilibrium with an alkylidene that binds the alkene substrate. This combination results in a pi-acidic metal and a …

Valorizing Municipal Solid Waste For Sustainable Aviation Fuel And Polyhydroxyalkanoate Bioplastics: Pyrolysis And Microbial Pathways, Emon Das

Theses and Dissertations--Biosystems and Agricultural Engineering

The escalating global burden of municipal solid waste (MSW), projected to reach 3.88 billion tons annually by 2050, calls for innovative valorization strategies to mitigate environmental impacts and promote a circular bioeconomy. This thesis investigates the conversion of MSW into two high-value products: sustainable aviation fuel (SAF) and polyhydroxyalkanoate (PHA) bioplastics. Chapter one presents comprehensive physicochemical characterization and pyrolysis-GC/MS analysis of MSW feedstocks. The physicochemical results reveal that densification enhances handling and storage properties, while pyrolysis-GC/MS analysis indicates that plastic-rich MSW streams produce bio-oils with favorable hydrocarbon profiles suitable for SAF production, potentially contributing to decarbonization efforts in the aviation …

Expanding The Vibrating Sharp-Edge Spray Ionization Toolkit For Oligonucleotide Characterization, Sultan Mahmud

Graduate Theses, Dissertations, and Problem Reports (ETD)

A gentle or soft Ionization process is a critical component in native mass spectrometry (MS) to lift the biomolecules from the bulk solution into the gas phase environment of the mass spectrometer preserving their shape, topology and non-covalent interactions. Electrospray ionization (ESI) facilitates structural preservation of proteins, nucleic acids and their complexes and as a result it has been extensively used in native MS. However, in negative ion mode, ESI is somewhat limited in sensitivity due to corona discharge effect resulting from the requirement of a high amount of voltage. This often disrupts the ESI process and may not preserve …

Effects Of Chain Length, Saturation, And Bases On Saponification, Sarah Fenik

Williams Honors College, Honors Research Projects

This project will analyze the effects of chain length and saturation of fatty acids on saponification processes, as well as the effects of the base used in the reaction. Stearic acid, lauric acid, and oleic acid will be used for the fatty acid comparisons, and sodium hydroxide and potassium hydroxide will be used for the base comparisons. Stearic acid is considered a long chain fatty acid, while lauric acid is considered a short chain fatty acid. Oleic acid is a monounsaturated fatty acid. Five soap products are be made: sodium stearate, sodium laurate, sodium oleate, potassium stearate, and potassium oleate. …

Synthesis And Characterization Of Free Radical Scavenging Dendrimer Nanogels Via Cross-Linking Reaction-Enabled Flash Nanoprecipitation, Lin Qi, Da Huang, Huari Kou, Anna Chernatynskaya, Nuran Ercal, Hu Yang

Chemistry Faculty Research & Creative Works

This work reports the development and evaluation of dendrimer-based nanogels based on Poly amidoamine (PAMAM) dendrimer generation 5, engineered to act as a carrier with reactive oxygen species (ROS)-scavenging capabilities. We developed a cross-linking reaction-enabled flash nanoprecipitation method in which the cross-linking reaction occurs during the flash nanoprecipitation process to form a cross-linked nanostructure. Using this approach, an N-hydroxy succinimide (NHS)-functionalized ROS-responsive thioketal cross-linker (TK-NHS) was synthesized and utilized to cross-link DAB-core PAMAM dendrimer G5, resulting in the formation of G5-TK nanogels. The resulting nanogels were characterized using dynamic light scattering and transmission electron microscopy, and their cytocompatibility, irritancy, cellular …

Cfd Analysis Of Hydrodynamic Cavitation Through An Orifice: Influence Of Different Inlet Pressures And Number Of Orifice Holes, Lemthong Chanphavong, Vongsavanh Chanthaboune, Keophousone Phonhalath

ASEAN Journal on Science and Technology for Development

Hydrodynamic cavitation (HC) is considered an energy-efficient process with high potential for utilization in many chemical processes. This study presents a computational fluid dynamics (CFD) analysis of cavitating flow through an orifice with a constant flow area. The Reynolds-Averaged Navier-Stokes (RANS) equations, coupled with turbulence and cavitation models, are employed to capture the complex flow behaviors. The effects of inlet pressures and number of orifice-holes on cavitation behavior are investigated. Result of the numerical simulation is validated with the existing experimental data from the literature. The CFD study revealed that cavitation initiates just behind the inlet edge of the orifice …

Thermo-Rheological And Tribological Properties Of Low- And High-Oleic Vegetable Oils As Sustainable Bio-Based Lubricants, Abiodun Saka, Tobechukwu K. Abor, Anthony C. Okafor, Monday U. Okoronkwo

Mechanical and Aerospace Engineering Faculty Research & Creative Works

Vegetable oil-based lubricants have attracted increased research attention in recent decades as sustainable alternatives to conventional petroleum-based lubricants in metal machining. However, more studies are required to fully elucidate the thermo-rheological and tribological properties. This study presents an investigation of the thermo-rheological and tribological properties of different vegetable oils, including low- and high-oleic soybean oil, high-oleic sunflower, safflower, and canola oils. The lubricity, and evolution of viscosity and thermodynamic properties as a function of temperature were investigated to obtain important parameters including the viscosity index, flow behavior index, flow activation energy, specific heat capacity, thermal conductivity, coefficient of friction, contact …

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 …

Investigations Of Conjugate Heat Transfer And Fluid Flow In Partitioned Porous Cavity Using Darcy-Forchheimer Model: Finite Element-Based Computations, Nasir Yasin, Shafee Ahmad, Muhammad Umair, Zahir Shah, Narcisa Vrinceanu, Ghadah Alhawael

Mathematics & Statistics Faculty Publications

The conjugate heat transfer and fluid flow has vast applications in thermal engineering, particularly for cooling in thermal devices, and automobile engines. This study investigates conjugate heat transfer in 2D enclosures, featuring thin solid fins attached to a porous bottom wall. The porous medium is considered isotropic and homogeneous by the Darcy-Forchheimer model, with fluid phases in local thermal equilibrium. The boundary conditions at the porous fluid interface ensure continuity of the velocities, stresses, temperature, and heat flux. The phenomenon is mathematically modelled by obtaining a set of partial differential equations. The finite element method (FEM) is used to perform …

Using Preformed Particle Gels To Control Transport In Geothermal Reservoirs: Mathematical Modeling, Philip Winterfeld, Baojun Bai, Yu Shu Wu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

We are developing swellable Preformed Particle Gels (PPG), which can control preferential fluid and heat flow through fracture networks to increase the performance of EGS reservoirs. Part of this development is a mathematical model and numerical simulator to simulate PPG treatments by considering coupled thermal-hydraulic-mechanical effects, and gel swelling kinetics and plugging efficiency, from which an optimized gel treatment design and operation can be achieved. The starting point for our mathematical model is the TOUGH2-CSM formulation and code. The TOUGH2-CSM fluid and heat flow formulation is based on the TOUGH2 one for multiphase, multicomponent, and multi-porosity systems, with the latter …

Predictive Modeling For Optimal Gel Treatment Design In Brownfields Using Ensemble Machine Learning And Data Upsampling Via Generative Ai, Munqith Aldhaheri, Baojun Bai, Mingzhen Wei

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Efficiently designed gel treatments play a vital role in extending the lifespan of brownfields through rejuvenating oil production. Recently, a three-mode mathematical methodology named the VCR approach has been proposed for designing effective treatments. To optimize this approach, it is crucial to determine the appropriate design mode systematically rather than relying solely on the intuitive judgments of field operators. This study introduces an advanced methodology for predicting the optimal design type of gel treatments using 12 reservoir and production variables. The methodology integrates ensemble machine-learning (EML) models with historical data from 65 field projects across 11 countries (1985-2020). The Random …

Bayesian Networks For Safety-Critical Systems, Joseph Mietkiewicz

Theses

This thesis addresses a operational challenge in modern industrial operations: the increasing complexity of systems and the consequent cognitive burden on operators. As industrial technologies advance, the human-computer interface has become the primary conduit for information flow, playing a pivotal role in operational decision-making. However, the proliferation of data often leads to information overload, potentially compromising rather than enhancing operator performance. This research explores an approach to this pressing issue through the application of Bayesian networks as decision support systems in safety- critical scenarios. Our study employs a multi-faceted approach, combining theoretical modeling with empirical testing. Through collaboration with industry …

Catalytic Deoxygenation Of Oleaginous Biomass To Renewable Diesel And Sustainable Aviation Fuel Via Decarboxylation/Decarbonylation, Chukwudalu Great Umenweke

Theses and Dissertations--Chemistry

Several technologies have been developed to produce hydrocarbon biofuels – renewable diesel (RD) and sustainable aviation fuel (SAF) – from fats, oils, and greases (FOG), with the hydroprocessing of esters and fatty acids (HEFA) representing one of the most mature pathways. In its current form, HEFA is mainly reliant on the hydrodeoxygenation (HDO) reaction, which has several drawbacks since HDO requires large amounts and pressures of hydrogen, feedstocks of high purity and cost, as well as problematic sulfided catalysts that risk contaminating the biofuel product with sulfur. A process based on decarboxylation/decarbonylation (deCO_x) offers an attractive alternative to …

Synthesis And Assessment Of Biobased Acrylated Epoxidized Soybean Oil Resins For Stereolithography 3d Printing Of Microfluidic Devices, Natalie S. Romero Figueroa

College of Graduate Studies: Theses & Dissertations

This research focuses on the development and characterization of a biobased photocurable resin synthesized from soybean oil for use in stereolithography (SLA) 3D printing of microfluidic devices. The study explores a sustainable alternative to petroleum-based resins by performing an acrylation reaction on epoxidized soybean oil (ESO) to produce acrylated epoxidized soybean oil (AESO), which was then formulated into a photocurable resin with the addition of a photo initiator. The fabrication process involved designing microfluidic molds in SolidWorks and printing them using an Elegoo Mars 4 SLA printer under various exposure and layer thickness parameters. The printed samples consisted of microchannels …

Visual Understanding Of Rock Wettability Distribution To Contact Angle Regions And Oil Displacement Patterns In The Silty Sand Reservoir Via 2d Pore-Scale Modeling, H. Al-Ajaj, W. Al-Bazzaz, Ralph E. Flori, S. Alsayegh, H. Almubarak, D. S. Ibrahim, H. Al-Saedi

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

This study, conducted using a silty sand reservoir rock extracted from a Kuwait-producing oilfield, provides crucial insights into fluid distribution patterns and mineralogy, as well as wettability contact angle preferences. The method used for visual identification not only captures rock physics but also suggests effective oil recovery displacement strategies. Visual identification is presented using 2D image technology and a Scanning Electron Microscope (SEM). Analytical data are presented from electron bombardments and backscattering reflections collected in the BSE detector. These analyses were used to characterize the various surface boundary morphology parameters of the silty sand mineral surfaces, including area, perimeter, mineral …

Investigation Of Dynamic Adsorption And Desorption Of Polymer Nanogel In Porous Media Through Microfluidics, Junchen Liu, Fuqiao Bai, Abdulaziz A. Almakimi, Mingzhen Wei, Xiaoming He, Ibnelwaleed A. Hussein, Baojun Bai

Mathematics and Statistics Faculty Research & Creative Works

Understanding the transport and retention of elastic nanogel and microgel particles in porous media has been a significant research subject for decades, essential to the application of enhanced oil recovery (EOR). However, a lack of dynamic adsorption and desorption studies, in which the kinetics in porous media are seldom investigated, hinders the design and application of polymer nanogel in underground porous media. In this work, we visualized and quantified the transport and dynamic adsorption of polymer nanogel in 3D glass micromodels that were manufactured by packing glass beads in capillaries. Calibrating the linearity of fluorescence intensity to concentration, we calculated …

Re-Crosslinkable Particle For Conformance Control And Temporary Plugging, Yifu Long, Bowen Yu, Baojun Bai, Thomas P. Schuman

Patents

The present invention generally relates to the composition of particle gels for conformance control, well drilling and well treatments. More particularly, this invention relates to swellable polymer particle gels that can re-crosslink, i.e., reassociate and self-heal, at subterranean conditions. These particle gels can be deployed to improve the conformance of water flooding of especially matrix bypass events (MBEs), that are also known as void space conduits. Moreover, these particle gels can be deployed for controlling the water production and increasing of petroleum recovery. The inventive particles can also be deployed as diverter for well stimulation.