Chemical Engineering Commons^™

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 …

Electrocatalytic Nitric Oxide Reduction To Yield Ammonia Over Fe3C Nanocrystals, Sen Lin, Lang Zhang, Tong Hou, Jun-Yang Ding, Zi-Mo Peng, Yi-Fan Liu, Xi-Jun Liu

Journal of Electrochemistry

Nitric oxide (NO), which generally originates from vehicle exhaust and industrial flue gases, is one of the most serious air pollutants. In this case, the electrochemical NO reduction reaction (NORR) not only removes the atmospheric pollutant NO but also produces valuable NH₃. Hence, through the synthesis and modification of Fe₃C nanocrystal catalysts, the as-obtained optimal sample of Fe₃C/C-900 was adopted as NORR catalyst at ambient conditions. As a result, the Fe₃C/C-900 catalyst showed an NH₃ Faraday efficiency of 76.5% and an NH₃ yield rate of 177.5 μmol·h^–1·cm^{–2 …}

Ordering Degree Regulation Of Pt2Nico Intermetallics For Efficient Oxygen Reduction Reaction, Chen-Hao Zhang, Han-Yu Hua, Jun-Hao Yang, Qian Zhang, Chang Yang, De-Li Wang

Journal of Electrochemistry

Alloying transition metals with Pt is an effective strategy for optimizing Pt-based catalysts toward the oxygen reduction reaction (ORR). Atomic ordered intermetallic compounds (IMC) provide unique electronic and geometrical effects as well as stronger intermetallic interactions due to the ordered arrangement of metal atoms, thus exhibiting superior electrocatalytic activity and durability. However, quantitatively analyzing the ordering degree of IMC and exploring the correlation between the ordering degree and ORR activity remains extremely challenging. Herein, a series of ternary Pt₂NiCo intermetallic catalysts (o-Pt₂NiCo) with different ordering degree were synthesized by annealing temperature modulation. Among them, the o-Pt …

Performance Of Co2/H2O Co-Electrolysis In A Flat-Tube Solid Oxide Electrolysis Cell Stack Under Air-Free Environment, Xiao-Hui Zhong, Fei Wang, An-Qi Wu, Bei-Bei Han, Jian-Xin Wang, Wan-Bing Guan

Journal of Electrochemistry

This work investigates the transient performance and stability of CO₂/H₂O co-electrolysis in an air-free environment using a flat-tube solid oxide electrolysis cell (SOEC) stack. The results show that the transient behavior of the stack with and without blowing gas in the air electrode is almost the same. With a current density of 0.67 A·cm⁻²@750 °C, the stack operated for over 200 h under co-electrolysis conditions with no air blowing, and the voltage drop rate of the stack was approximately 0.203%/100 hours. Microstructure analysis reveals significant loss of Ni particles and formation of an insulating …

Variation Of Membrane Electrode Assembly Catalyst Layer In Unitized Regenerative Fuel Cell, Yollanda Nurcholifah, Dedi Rohendi, Edy Herianto Majlan, Nirwan Syarif, Addy Rachmat, Dwi Hawa Yulianti, Nyimas Febrika S

Journal of Electrochemistry

A unitized regenerative fuel cell (URFC) is a device that may function reversibly as either a fuel cell (FC) or water electrolysis (WE). An important component of this device is the Membrane electrode assembly (MEA). Therefore, this study aimed to compare the performance outcomes of MEA using electrodes with single and three catalyst layers. This study measured Electrochemical Surface Area (ECSA), Electrochemical Impedance Spectroscopy (EIS), X-ray Diffraction analysis (XRD), and X-ray Fluorescence (XRF). Furthermore, the round-trip efficiency (RTE) of the MEA, as well as the performance in FC and WE mode, was measured. In comparison, The ECSA values of Pt-Ru/C …

Preliminary Assessment Of Non-Volatile Particulate Matter And Gaseous Emissions From A Premixed Pre-Vaporized Combustor Designed For Civil Supersonic Transport, Ugochukwu Ewuzie, Godwin Ifeanyi Ogbuehi, Steven Achterberg, Monday Uchenna Okoronkwo, Philip D. Whitefield

Miners Solving for Tomorrow Research Conference

No abstract provided.

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 …

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 …

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 …

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 …

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.

Coating Compositions And Methods For Using The Same, Fateme Razaei, Thomas P. Schuman, Glenn C. Morrison

Patents

Coating compositions and methods for using the same are disclosed. The coating compositions can include an aminosilica adsorbent. The coating compositions can adsorb CO2 .

Nontoxic High Temperature Resistant Hydrogels, Thomas P. Schuman, Baujun Bai, Buddhabhushan Pundlik Salunkhe

Patents

Compositions of swellable non-toxic hydro gels and their use in conformance control are described herein. More specifically, the present invention generally relates to the hydro gels compositions that can be used to treat the oil reservoirs having high temperature and high salinity conditions. The compositions generally comprise a plurality of swellable particles having one or more crosslinkers interspersed within a polymer matrix. The compositions can also be used in biomedical, agricultural, fracking and similar applications wherein thermally-stable, nontoxic hydrogels are required.

Scalable Fabrication Of High-Payload Dendrimer-Based Nanoparticles For Targeted Atherosclerosis Therapy, Huari Kou, Lin Qi, Da Huang, Jiandong Wu, Honglan Shi, Hu Yang

Chemistry Faculty Research & Creative Works

Nanoparticle-based therapeutics hold promise for the treatment of atherosclerosis, but challenges such as low drug-loading capacity and a lack of scalable, controllable production hinder their clinical translation. Flash nanoprecipitation, a continuous synthesis method, offers a potential solution for scalable and reproducible nanoparticle production. In this study, we employed a custom-designed multi-inlet vortex mixer to perform cross-linking reaction-enabled flash nanoprecipitation, facilitating controlled and scalable synthesis of cross-linked Poly amidoamine (PAMAM) dendrimer nanoparticles. Notably, this approach allows simultaneous nanoparticle cross-linking and drug loading in a single step. The mannose moiety enabled specific targeting of macrophages via mannose receptors, enhancing the localization of …

Single-Step Synthesis Of Activated Carbon From Arabica Spent Coffee Ground Using K2co3 As Activator Agent, Ghina Ivana Mieldan, Yuliusman Yuliusman

Journal of Materials Exploration and Findings

Activated carbon is a nanomaterial that is often used as an effective adsorbent. Activated carbon raw materials can use biomass, such as coffee grounds, which can be found along with the growth of public interest in coffee drinks. Chemical activators are used for activation to increase biomass carbon's adsorption capacity. Using K₂CO₃ activator to increase the specific surface area of activated carbon is more harmless than KOH. The use of spent coffee grounds as carbon source and food additive K₂CO₃ as an activator can make food-grade activated carbon that can be used for food. …

Effect Of Alkyd And Polyester Resin Compositions On Corrosion Resistance, Blistering, And Adhesion In Utilization Of Oily Sludge As Anti-Rust Coating Material, Gerets Land Kakalang, Yohanes David Kristianto, Johny Wahyuadi Mudaryoto

Journal of Materials Exploration and Findings

Oil sludge is a waste derived from upstream and downstream activities of the oil and gas industry which is estimated at 10,000 tonnes generated from all PERTAMINA downstream activities spread across various fields, processing units and depots throughout Indonesia. Oil sludge has the same characteristics as asphalt, where asphalt in previous studies can be used as an anti-rust coating, so that the handling of oily sludge can be topped up by reusing and having its own added value. The purpose of this research is to utilise waste oily sludge as an alternative anti-rust coating material and compare alkyd resin and …