Catalysis and Reaction Engineering Commons^™

A Study Of Iron-Nitrogen-Carbon Fuel Cell Catalysts: Chemistry – Nanostructure – Performance, Michael J. Workman

Nanoscience and Microsystems ETDs

Fuel cells have the potential to be a pollution-free, low-cost, and energy efficient alternative to the internal combustion engine for transportation and small-scale stationary power applications. The current state of fuel cell technology has already achieved two of these three lofty goals. The remaining barrier to wide-scale deployment is the high cost, which is primarily caused by dependence on large amounts of platinum to catalyze the energy conversion reactions. To overcome this barrier and facilitate the integration of fuel cells into mainstream applications, research into a new class of catalyst materials that do not require platinum is needed.

There has …

Catalytic Hydrotreatment For The Development Of Renewable Transportation Fuels, Lilu Funkenbusch

Dissertations, Master's Theses and Master's Reports

Biologically-derived feedstocks are a highly desirable source of renewable transportation fuel. They can be grown renewably and can produce fuels similar in composition to conventional fossil fuels. They are also versatile and wide-ranging. Plant oils can produce renewable diesel and wood-based pyrolysis oils can be made into renewable gasoline. Catalytic hydrotreatment can be used to reduce the oxygen content of the oils and increase their viability as a “drop-in” transportation fuel, since they can then easily be blended with existing petroleum-based fuels. However, product distribution depends strongly on feedstock composition and processing parameters, especially temperature and type of catalyst. Current …

Rambling Between "Zhong Yong" And "Catalysis", Zi-Dong Wei

Journal of Electrochemistry

“Zhong Yong” represents a traditional Chinese wisdom, which was first proposed by Confucius and continuously richened by his followers. “Zhong Yong” pursues the balances among all kinds of contradictions, and insists that neither “too much” nor “not enough” is good. For a successful catalyst, on which the adsorption of reactants must be not so strong and not so weak either. On this point of view, there are the same pursuits for “Zhong Yong” and catalysis. In this paper, the author starts his story with a conversation between Confucius and his student, followed by 3 interesting stories happening in the ancient …

Applying Bayesian Machine Learning Methods To Theoretical Surface Science, Shane Carr

McKelvey School of Engineering Graduate Student Theses & Dissertations

Machine learning is a rapidly evolving field in computer science with increasingly many applications to other domains. In this thesis, I present a Bayesian machine learning approach to solving a problem in theoretical surface science: calculating the preferred active site on a catalyst surface for a given adsorbate molecule. I formulate the problem as a low-dimensional objective function. I show how the objective function can be approximated into a certain confidence interval using just one iteration of the self-consistent field (SCF) loop in density functional theory (DFT). I then use Bayesian optimization to perform a global search for the solution. …

A Metal-Free Approach To Biaryl Compounds: Carbon-Carbon Bond Formation From Diaryliodonium Salts And Aryl Triolborates, Kuruppu Lilanthi Jayatissa

Dissertations and Theses

Biaryl moieties are important structural motifs in many industries, including pharmaceutical, agrochemical, energy and technology. The development of novel and efficient methods to synthesize these carbon-carbon bonds is at the forefront of synthetic methodology. Since Ullmann’s first report of stoichiometric Cu-mediated homo-coupling of aryl halides, there has been a dramatic evolution in transition metal catalyzed biaryl cross-coupling reactions.

Our work focuses on the discovery and development of an unprecedented reagent combination for metal-free cross-coupling. It is hypothesized that direct carbon-carbon bond formation occurs via a triaryl-λ³-iodane and that electrophile/nucleophile pairing is critical for success in the reaction. Proof-of-concept …

The Synthesis Of Solid Supported Palladium Nanoparticles: Effective Catalysts For Batch And Continuous Cross Coupling Reactions, Kendra W. Brinkley

Theses and Dissertations

Catalysis is one of the pillars of the chemical industry. While the use of catalyst is typically recognized in the automobile industry, their impact is more widespread as; catalysts are used in the synthesis of 80% of the US commercial chemicals. Despite the improved selectivity provided by catalyst, process inefficiencies still threaten the sustainability of a number of synthesis methods, especially in the pharmaceutical industry. Recyclable solid supported catalysts offer a unique opportunity to address these inefficiencies. Such systems coupled with continuous synthesis techniques, have the potential to significantly reduce the waste to desired product ratio (E-factor) of the production …

The Catalysis Of Delayed Petroleum Coking, Anya M. Heinimann, Robert Khakimov, Hyun-Tae Hwang, Enrico N. Martinez

The Summer Undergraduate Research Fellowship (SURF) Symposium

Due to the decreasing crude oil quality (heavier crudes and increasing contaminant concentrations) methods for upgrading residues from the refining process, such as coking, are becoming increasingly important. Delayed coking, a method by which residues are thermally cracked (large heavy molecules broken into smaller lighter molecules), produces liquid products and solid coke which can both be sold for further profit. In order to increase the amount of liquid products produced since they are the most value added product of the coking process catalysts (platinum on 0.5% alumina and nickel (skeletal),molybdenum promoted (1 wt%)) were tested to see how they would …

Synthesis And Characterization Of Microporous And Mesoporous Catalysts For Shale Gas Upgrading, Danesh Contractor, Ravi Joshi, Rajamani Gounder

The Summer Undergraduate Research Fellowship (SURF) Symposium

The petroleum industry is gradually shifting from using naphtha to ethane as its feedstock and new ethane steam crackers are being built. Using ethane as a feedstock produces more ethene and less co-products such as propene, aromatics and C4 alkenes. Thus, the shift in feedstock will reduce the availability of these co-products. Developing methods for the interconversion of alkenes, and specifically using ethene as a reactant, can solve this problem.

This project focuses on synthesis and characterization of zeolites with the BEA framework topology, and their nickel exchanged versions as potential ethene dimerization catalysts. In future work, these materials will …

Reduction Of Ketoximes To Amines By Catalytic Transfer Hydrogenation Using Raney Nickel And 2-Propanol As Hydrogen Donor, Katherynne E. Taylor

Honors Theses

Ketoximes successfully underwent hydrogenolysis and hydrogenation under catalytic transfer conditions with Raney Nickel and 2-propanol as a hydrogen donor. Ketoximes were reduced to primary amines when 2% KOH was included in the reaction. In the absence of KOH N-isopropyl-secondary-amines were obtained in good yields.

Mixed Surfactant Systems: Thermodynamics And Applications In Metal Oxide Imprinting, Suvid Joshi

Theses and Dissertations--Chemical and Materials Engineering

In this work we study mixtures of cationic surfactant (CTAB) and sugar based surfactant(s) (octyl beta-D-glucopyranoside (C8G1), dodecyl maltoside (C12G2) and octyl beta-D-xylopyranoside (C8X1)) to understand the non-ideal thermodynamic behavior of the mixtures of cationic and non-ionic surfactants in water and synthesis of imprinted materials. The thermodynamics of micellization, mixing and dilution of these systems are studied using Isothermal Titration Calorimetry (ITC) and the experimental data obtained are modeled with a pseudo-phase separation model with non-ideal mixing described by regular solution theory. It is shown that a model accounting for enthalpy of demicellization and enthalpy of dilution based on McMillan-Mayer …

Phenol Deoxygenation Over Hydrotreating Catalysts, Madelyn R B Ball

Honors Theses and Capstones

Phenol deoxygenation has been investigated as a model reaction for the deoxygenation of fatty acid methyl esters in biodiesel. Hydrodeoxygenated biodiesel is a drop-in fuel for petroleum diesel, and is a premium diesel with a high cetane number. As the first step in this research, two molybdenum catalysts were prepared, characterized and tested in a small-scale reactor. These catalysts were found to produce small amounts of benzene and cyclohexanol in the product stream, and confirmed the activity of the catalyst. A commercial cobalt molybdenum catalyst (Harshaw HT-400) was also tested and benzene, cyclohexanol, and cyclohexane were identified as products. Future …

Preparations Of Composite Electrodes Of Pt With HXWo3 And Catalytic Activity Toward Oxygen Reduction Reaction, Pan-Pan Guo, You-Ju Huang, Hong-Yan Yang, Wei Li, Qing-Long Zhang, Wei-Shan Li

Journal of Electrochemistry

Three composite electrodes of platinum with hydrogen tungsten bronze(H_xWO₃)were prepared by voltammetry: hydrogen tungsten bronze deposited on platinum(H_xWO₃/Pt);platinum deposited on hydrogen tungsten bronze(Pt/H_xWO₃) and codeposited platinum and hydrogen tungsten bronze(Pt-H_xWO₃).The eletro-catalytic activities of three electrodes toward oxygen reduction reaction were studied.It is found that the catalytic activity of platinum can be improved by introducing with hydrogen tungsten bronze.Among these composite electrodes Pt/H_xWO₃,and the electrode shows the best eletro-catalytic activity toward oxygen reduction reaction,hence,provides a new way for reducing loading of …

A Novel Laboratory Course On Advanced Chemical Engineering Experiments, Jochen A. Lauterbach, S. White, X. Lui, G. M. Bodner, W. N. Delgass

Faculty Publications

The chemical engineering curriculum in the United States has trained generations of technical experts who have successfully optimized chemical processes and products once they entered the chemical industry. The U.S. chemical industry, however, has entered a critical stage in which it must be able to create new and differentiated value through technical innovations that arc essential for long-term survival. This innovation process will require new skills that go far beyond the traditional expertise for the optimization of tasks possessed by young chemical engineers. The innovators must be able to identify new opportunities, explore the boundaries of technology, evaluate critical issues, …

Oxygen Reduction On Silver In 6.5 Molar Caustic Soda Solution, Prosper K. Adanuvor, Ralph E. White

Faculty Publications

No abstract provided.