Catalysis and Reaction Engineering Commons^™

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 …

Predicting Complex Di-Alkylation Kinetics Using Machine Learning, Colin Bailey, Thomas Roper

Graduate Research Posters

Background: Predicting reaction kinetics for complex chemical systems often presents significant challenges due to intricate reaction pathways, multiple product formations, and competing side reactions. Additionally, the transient nature of reaction intermediates and limited experimental data complicate efforts to capture system dynamics accurately. These complexities necessitate advanced modeling approaches and precise experimental techniques to reliably describe and predict chemical behavior.

Methods: This work investigates the kinetics of di-alkylation of 4-Hydroxybenzoic Acid (4-HBA) using multiple machine learning algorithms, including Random Forest Regression, Gradient Boosting, Lasso, Ridge, and XGBoost. By leveraging reaction conditions, such as temperature, sulfuric acid equivalents, and initial concentrations of …

Engineering Nanomaterials From Phase-Change Biological Materials Reacting With Carbon Dioxide, Qingyang Li

Graduate Theses, Dissertations, and Problem Reports (ETD)

The current global situation concerning CO2 emissions is increasingly alarming, with rising concentrations of CO2 significantly worsening climate change and global warming. Atmospheric CO2 levels are now at their highest in millions of years, driving a host of catastrophic effects, including but not limited to extreme weather events, rising sea levels, ocean acidification, disrupted ecosystems, deteriorating air quality, respiratory health issues, heat-related illnesses, threats to food and water security, and escalating social and geopolitical tensions. To keep global warming to no more than 1.5°C higher than that of pre-industry – as called for in the Paris Agreement – emissions need …

Microwave-Assisted Reduction Of Critical Metal Oxides From E-Waste Mixture, Kurundu Shavinka Jayasekera

Graduate Theses, Dissertations, and Problem Reports (ETD)

The efficient recovery of critical metals such as tantalum (Ta), manganese (Mn), gallium (Ga), and indium (In) from electronic waste (e-waste) is essential for resource sustainability and environmental protection. This research uses microwave-assisted treatment to investigate the carbothermal reduction of these four specific metals from their oxides in a simulated e-waste mixture, with carbon black serving as both a microwave coupling and reduction agent. Microwave processing is used specifically because it offers a rapid and energy-efficient alternative to conventional thermal methods, with the benefits of intrinsic heating and selective heating of materials. The first experiments centered on understanding the effects …

Membrane Reactor Modeling And Optimization For Hydrogen Production, Ayooluwa Tomiwa Akintola

Graduate Theses, Dissertations, and Problem Reports (ETD)

There has been an ongoing trend toward cleaner fuels for more environmentally benign forms of energy generation. Recently, hydrogen has been identified as a clean fuel for energy generation. However, the most established, efficient, and widely utilized technique for producing hydrogen remains the steam methane reforming (SMR) in the presence of catalyst. Unlike other fossil fuels, utilizing methane from natural gas in an SMR process to produce hydrogen emits less, but yet a notable sum of carbon dioxide. Furthermore, the endothermic nature of SMR reactions imply that there is a high energy requirement to obtain a substantial amount of hydrogen …

Decomposition Of Diisopropyl Methylphosphonate (Dimp) Exposed To Elevated Temperatures And Combustion Products Of Reactive Materials, Elif Irem Senyurt

Dissertations

The safe and efficient destruction of chemical weapon agents (CWAs) stockpiles remains a critical global challenge. Understanding the thermophysical properties, decomposition mechanisms, and interactions of CWAs with their environment is crucial for developing effective strategies to mitigate their threats. Diisopropyl methylphosphonate (DIMP) and Dimethyl methylphosphonate are commonly used nerve agent surrogates. This dissertation focuses on DIMP and DMMP, investigates their properties and behavior under conditions relevant to prompt defeat scenarios.

The thermophysical properties of DIMP and DMMP were experimentally characterized, including vapor-liquid surface tension (3-60 °C) and viscosities of neat and aqueous solutions. Results revealed significant non-ideal behavior in aqueous …

All-Solid-State Sodium-Ion Batteries: A Leading Contender In The Next-Generation Battery Race, Rui-Jie Zhu, Ze-Chen Li, Wei Zhang, Akira Nasu, Hiroaki Kobayashi, Masaki Matsui

Journal of Electrochemistry

All-solid-state lithium-ion batteries (LIBs) using ceramic electrolytes are considered the ideal form of rechargeable batteries due to their high energy density and safety. However, in the pursuit of all-solid-state LIBs, the issue of lithium resource availability is selectively overlooked. Considering that the amount of lithium required for all-solid-state LIBs is not sustainable with current lithium resources, another system that also offers the dual advantages of high energy density and safety— all-solid-state sodium-ion batteries (SIBs) —holds significant sustainable advantages and is likely to be the strong contender in the competition for developing next-generation high-energy-density batteries. This article briefly introduces the research …

Contributions To Journal Of Electrochemistry, The Flagship Journal Of Chinese Chemical Society Electrochemical Committee, Will Be Listed As A New Recommendation Policy For China Youth Awards Of Electrochemist, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

Electrochemical-Method-Induced Strong Metal-Support Interaction In Pt-Cnt@Sno2 For Co-Tolerant Hydrogen Oxidation Reaction, Shen-Zhou Li, Zi-Jie Lin, Qi-An Chen, Zhao Cai, Qing Li

Journal of Electrochemistry

Inducing the classic strong metal-support interaction (SMSI) is an effective approach to enhance the performance of supported metal catalysts by encapsulating the metal nanoparticles (NPs) with supports. Conventional thermal reduction method for inducing SMSI processes is often accompanied by undesirable structural evolution of metal NPs. In this study, a mild electrochemical method has been developed as a new approach to induce SMSI, using the cable structured core@shell CNT@SnO₂ loaded Pt NPs as a proof of concept. The induced SnO_x encapsulation layer on the surface of Pt NPs can protect Pt NPs from the poisoned of CO impurity in …

Dendrite-Free Strategies For Aqueous Zinc-Ion Batteries: Structure, Electrolyte, And Separator, Gang Wu, Wu-Hai Yang, Yang Yang, Hui-Jun Yang

Journal of Electrochemistry

Continued growth in energy demand and increased environmental pollution constitute major challenges that need to be addressed urgently. The development and utilization of renewable, sustainable, and clean energy sources, such as wind and solar, are crucial. However, the instability of these intermittent energy sources makes the need for energy storage systems increasingly urgent. Aqueous zinc-ion batteries (AZIBs) have received widespread attention due to their unique advantages, such as high energy density, cost-effectiveness, environmental friendliness, and safety. However, AZIBs face significant challenges, mainly the formation of zinc dendrites that seriously affect the stability and lifetime of the batteries, leading to battery …

Determination Of The Kinetic Parameters Of Cholesterol Oxidation Using Cholesterol Oxidase From Streptomyces Sp., Meka Saima Perdani, Heri Hermansyah, Muhamad Sahlan, Dwini Normayulisa Putri, Teguh Pambudi, Anggi Khairina Hanum Hasibuan

Makara Journal of Technology

Cholesterol oxidase (CO) was successfully produced from Streptomyces sp. via the submerged fermentation method, and 69 U/mL enzyme activity was obtained. This study aimed to determine cholesterol oxidation kinetics and the production of CO as a catalyst. The enzyme was diluted to 0.15, 0.075, and 0.00375 U/mL for the oxidation reaction. The substrate was also prepared in three concentrations: 3.23, 6.46, and 12.93 mM. The optimization of conditions for enzymatic cholesterol oxidation was investigated through measurement of the effect of initial cholesterol and enzyme concentrations. Cholesterol concentration was rapidly measured via high-performance liquid chromatography (HPLC). The kinetics of CO were …

Predictive Modeling And Sustainability Assessment Of Hydrothermal Liquefaction Of Seaweeds: A Techno-Economic And Life Cycle Analysis Approach, Micheal O. Asama

Mechanical Engineering Theses

This study presents comprehensive predictive models and an economic and environmental assessment of HTL for converting macroalgae into biofuels and valuable co-products. Predictive models were developed based on experimental kinetic data to simulate batch HTL of brown seaweed, capturing the yields of biocrude, gas, biochar, and water-soluble compounds as functions of key process variables, including temperature, time, pressure, and water-to-biomass ratio. Analysis of Variance (ANOVA) confirmed that temperature and residence time significantly affect biocrude yield, with an optimal yield of 23% achieved at 283°C, 200 bar, 54 minutes, and a 10:1 water-to-biomass ratio. The model’s predictive accuracy was validated with …

Nickel Electrocatalysts On Carbon Supports For The Hydrogen Evolution Reaction., Mohan Paudel

Electronic Theses and Dissertations

Hydrogen is an important energy storage alternative to fossil fuels due to its high energy density. Currently, most hydrogen is produced through petroleum feedstocks, which produce large amounts of carbon dioxide. However, a more eco-friendly method is the electrocatalytic splitting of water into hydrogen and oxygen. Efficient catalysts for the hydrogen evolution reaction (HER) are typically platinum group metals, which are rare and expensive. There is growing interest in developing HER electrocatalysts with earth-abundant metals for water electrolysis. Nickel, which lies in the same group in the periodic table as Pt and has similar chemical properties, is explored extensively for …

Development And Characterization Of Organic Electrocatalysts For Use In Zinc-Air Batteries, Christopher John Merkel

Department of Chemical and Biomolecular Engineering: Dissertations, Theses, and Student Research

The global deployment of solar photovoltaic and wind power is projected by the International Energy Agency as the primary pathway to reduce dependence on fossil fuels. However, these technologies face a critical bottleneck: their inherently intermittent power generation. For “intermittent renewables” to become the dominant source of electrical energy, efficient energy storage systems are essential. Current storage solutions are not viable on a global scale due to material scarcity, safety concerns, and high capital costs. Among emerging technologies, zinc-air batteries (ZABs) have garnered significant interest. ZABs offer a theoretical energy density five times greater than traditional lithium-ion batteries, utilize safe …

Synthesis, Characterization And Testing Of Graphene-Based Materials For Proton-Exchange Membrane Fuel Cell Catalysts, Hassan Shirzadi Jahromi

Dissertations

The requirement for low cost and efficient catalysts for fuel cells motivated the proposed research on Nitrogen-doped reduced graphene oxide (N-rGO) integrated with transition metal zeolitic imidazolate frameworks (ZIFs). Synthesis, characterization and performance evaluation of the newly synthesized nitrogen-doped graphene oxide-based catalysts for Proton Exchange Membrane Fuel Cells (PEMFCs) constitutes the main objective of this thesis.

The synthesis of N-rGO combined with cobalt, nickel, or iron ZIFs was carried out using wet chemical methods followed by one step pyrolysis at 900°C, resulting in catalysts with highly porous structures and uniform metal nanoparticle distribution. These were characterized for structure, microstructure, composition …

Regulating Cox Conversion Through Catalyst Design And Reaction Energy Input, Ewa Chukwu

All Dissertations

Carbon dioxide (CO₂) emissions, primarily from fossil fuel use in energy and chemical production, are the leading driver of global warming. The chemical industry is the third-largest source of these emissions, so reducing its carbon footprint—and ultimately achieving “CO₂ emissions-free” chemical manufacturing—is critical to combating global warming. Thermal catalysis is the workhorse of industrial chemical manufacturing, generating CO₂ emissions from two main sources: the actual chemical transformations of fossil feedstocks and burning of fossil fuels to provide the process heat. Therefore, developing and implementing technologies to mitigate the carbon emissions associated with these emissions sources is essential for decarbonizing the …

Journal Of Electrochemistry, The Flagship Journal Of Chinese Chemical Society Electrochemical Committee, Made A Public Appearance At The 22nd National Electrochemical Congress, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

The Award Ceremony Of The 2nd Xiamen University Short Video Abstract Contest For Science And Technology Journal Papers Came To A Successful Conclusion, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

The 9th National Conference Of Solid State Battery Successfully Held In Xiamen, Fujian, Zheng-Liang Gong

Journal of Electrochemistry

No abstract provided.

Single Nanobubble Formation On Au Nanoelectrodes And Au@Ws2 Nanoelectrodes: Voltammetric Analysis And Electrocatalysis, Xian-Zhun Luo, Xiao-Hu Chen, Yong-Xin Li

Journal of Electrochemistry

Taking advantage of the extremely small size of the gold nanodisk electrode, the single hydrogen nanobubble generated on the surface of the nanoelectrode was studied to evaluate its hydrogen evolution performance. It was found that compared with the bare gold nanodisk electrode, the bubble formation potential of the gold nanodisk electrode modified with tungsten disulfide quantum dots (WS₂ QDs) on the surface was more positive, indicating that its hydrogen evolution activity was higher. Microdynamic model analysis shows that the average standard rate constant of the rate-determining step of the hydrogen evolution reaction of gold nanoelectrodes modified with WS_{2 …}