Chemical Engineering Commons^™

Development Of A Multi-Scale Mechano-Electrochemical Battery Model, Drew J. Pereira

Theses and Dissertations

As the automotive industry moves towards large format electric vehicles, such as trucks and SUVs, the need for highly efficient, energy-dense electrodes rapidly increases. Several promising active materials have been studied and proposed, however, many of these materials undergo significant volume change upon lithiation and de-lithiation. Cell and pack designers struggle to understand and predict how active material volume change at the particle scale will affect mechano-electrochemical behavior on the electrode, cell, and pack scales. Additionally, many of these active materials suffer in their cycle life due to a mechanically-driven degradation of the electrode matrix. Therefore, the focus of this …

Quantifying And Elucidating The Effect Of Co2 On Aemfcs, Yiwei Zheng

Theses and Dissertations

Anion exchange membrane fuel cells (AEMFCs) have recently received significant attention as a future high efficiency, environmentally friendly energy conversion device. This attention is due to the potential advantages that AEMFCs can offer compared the much more common, and commercialized, proton exchange membrane fuel cells (PEMFCs) – most notably lower cost. However, there are several remaining roadblocks for the AEMFC technology to be widely adopted, such as: i) the stability of the anion exchange membranes (AEMs) and anion exchange ionomer (AEIs); ii) the development of highly active catalysts with either low platinum group metal (PGM) loading or catalysts that are …

Recent Advances In Catalytic Ethylene Epoxidation: Synthesis, Characterization, And Evaluation, Benjamin Thomas Egelske

Theses and Dissertations

First synthesized in 1859 by French chemist Charles-Adolphe Wurtz, ethylene oxide (EO) is produced from the direct epoxidation of ethylene and molecular oxygen over a low surface area α-Al₂O₃ supported silver (Ag) catalyst [1-6]. With a production capacity over 35 Mt/year, EO is the largest chemical by volume synthesized from a heterogeneously catalyzed process and is used in the production of ethylene glycol, ethoxylates, and ethanolamines [6, 7]. State-of-the-art catalyst formulations contain high loadings of Ag, typically 12-30wt%, required to recover activity in the presence of promoter elements which increase EO selectivity from ~75% for unsupported Ag to 80% for …

Hydrodeoxygenation Of Biomass Derived Sugar Alcohols To Platform Chemicals Using Heterogeneous Catalysts, Blake Macqueen

Theses and Dissertations

This work set out to investigate biomass derived sugar alcohol upgrading via the removal of oxygen and hydroxyl groups via the hydrodeoxygenation reaction utilizing heterogeneous catalysts. The importance of reaction conditions, catalyst meal loadings, catalyst structure and properties were probed using techniques such as design of experiments, and spectroscopic techniques including Raman and DRIFTS. The state of the art simultaneous hydrodeoxygenation (S-HDO) catalyst ReO_x-Pd/CeO₂ was investigated and optimized for various sugar alcohol substrates. The kinetics and associated mass transfer were also investigated to give further insight into the reaction over the ReO_xPd/CeO₂ catalyst.

First, …

Catalytic And Non-Catalytic Methods For Hydrocarbon Upgrading, Valorization, And Pollutant Control, Michael Morgan Royko

Theses and Dissertations

This work investigates catalytic and non-catalytic oxidative chemical upgrading and pollutant remediation techniques to responsibly utilize hydrocarbon feedstocks with existing infrastructure as the transition to more renewable and cleaner feedstocks for energy generation are developed. These technologies include oxidative dehydrogenation of ethane, development of magnetically separable catalysts to reduce carbon monoxide emissions during biomass upgrading as well as the subsequent use of the upgraded biomass for partial coal replacement, and electrochemical treatment of a washcoat free wire mesh supported catalyst to reduce carbon monoxide emissions in combustion exhaust.

First, doping of secondary metals in M1/M2 catalysts for oxidative dehydrogenation of …

Insights Into Rational Catalysts Synthesis, Abolfazl Shakouri

Theses and Dissertations

Atomically distributed metal centers with maximized atom utilization efficiency called single-atom catalysts (SACs) have attracted significant attention in catalysis. SACs with the advantages of both homogeneous and heterogeneous catalysts have been rising as a new frontier in the field of catalysis. New catalytic technologies are ever-growing, considering 90% of all chemical processes employ catalysts, securing modern society’s sustainable future. A classical field in catalysis has been dedicated to catalysis by supported metals. Recently, a vast effort has been devoted to smaller catalyst particles where size is restricted to a single atom on a surface. Single atoms supported or embedded on …

Shape-Selective Silver Catalysts For Ethylene Epoxidation, Kaveh Shariati

Theses and Dissertations

Epoxidation of ethylene with oxygen over promoted silver catalyst is one of the most important examples of heterogeneous catalysis to date with a multi-billion dollar annual market. Ethylene oxide (EO) can be used directly as a sterilizer, disinfectant, and fungicide, or as an intermediate chemical for producing ethylene glycol, detergents, antifreeze, polyesters, as well as a variety of other commercial chemicals. Thus, ethylene oxide is known as one of the highest volume chemicals produced in the chemical industry, accounting for approximately 40-50% of the total value of organic chemicals produced by heterogeneous oxidation. Considering the application of EO in detergents …

Preparation, Characterization And Evaluation Of Rationally Designed Catalysts By Electroless Deposition, Wen Xiong

Theses and Dissertations

In heterogeneous catalysis, it is a proven factor that the surface-specific activity and the catalyst selectivity strongly depends on the active sites which are determined by the composition, size, and shape of the particle. For structure-sensitive reactions favored by specific surface sites, such as corners, steps, or edges, TOF and selectivity can be greatly changed by the size of catalyst particles since the active site distribution will change with the size of the catalysts. Usually, metal particles are synthesized by two methods in industry, namely precipitation and impregnation, which often exhibit a broad size distribution. The grand challenge of colloidal …

Fine Points For Broad Bumps: The Extension Of Rietveld Refinement For Benchtop Powder Xrd Analysis Of Ultra-Small Supported Nanoparticles, Jeremiah W. Lipp

Theses and Dissertations

The goal of this work is to demonstrate the capabilities of benchtop Bragg diffraction in characterizing ultra-small (< 2nm) nanoparticles. To this end we have established a method for accurately separating the background, adjusting for relevant intensity effects, and analyzing the results with Rietveld refinement. This method is applied to the characterization of six silica-supported “noble” metals under ambient conditions: Pt, Pd, Ir, Rh, Ru, and Au. Surprisingly, Bragg diffraction is capable of shining light on this difficult-to-characterize size region – revealing the propensity of these metal nanoparticles to oxidize at room temperature. Preliminary findings for future work are also discussed: extending our method to crystalline supports and fluorescent samples.

From The Surface To The Reactor: Identifying The Active Sites For Propane Dehydrogenation On Platinum-Based Catalysts Through Density Functional Theory, Experimental Data, And Uncertainty Quantification, Charles Henry Fricke

Theses and Dissertations

Propane dehydrogenation is a critical process of producing propylene, an important feedstock for the chemical industrial. There are multiple key processes to produce propylene in this manner, but one of the largest processes involves non-oxidative dehydrogenation on a platinum-tin alloy based catalyst. In general, these reactions and catalytic particles are complex, with many dehydrogenation, cracking, and reforming reactions taking place during these processes on multiple surfaces. With this in mind, ab initio computational catalysis models are used to generate further insight into these catalytic processes. In this dissertation, there are three aims to be solved: identifying the most likely active …

Hydrocracking Of Octacosane And Cobalt Fischer–Tropsch Wax Over Nonsulfided Nimo And Pt-Based Catalysts, Wenping Ma, Jungshik Kang, Gary Jacobs, Shelley D. Hopps, Burtron H. Davis

Center for Applied Energy Research Faculty and Staff Publications

The effect of activation environment (N₂, H₂ and H₂S/H₂) on the hydrocracking performance of a NiMo/Al catalyst was studied at 380 °C and 3.5 MPa using octacosane (C₂₈). The catalyst physical structure and acidity were characterized by BET, XRD, SEM-EDX and FTIR techniques. The N₂ activation generated more active nonsulfided NiMo/Al catalyst relative to the H₂ or H₂S activation (X_C28, 70–80% versus 6–10%). For a comparison, a NiMo/Si-Al catalyst was also tested after normal H₂ activation and showed higher activity at the same process …

A Comprehensive Review Of In-Situ Polymer Gel Simulation For Conformance Control, Baojun Bai, Jianqiao Leng, Mingzhen Wei

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Gel treatment has been widely applied in mature oilfields to improve sweep efficiency and control water production. Correct numerical simulation is of major importance to the optimization design and prediction of a successful gel treatment. However, there exist many problems in current simulation studies in published literature. This paper first presents a comprehensive review on the major factors that have been considered at different gelation stages during gel treatment, the models used in the commercial/in-house simulators, and current numerical simulation studies on both laboratory and field scales. Then we classify the current in-situ gel numerical simulation problems as 1, deficient …

Paper Porosity Studies Using The Sorption Method, A Sadriddinov, Z Galimova, I Ismoilov, X Babaxanova, M Mixaleva

Technical science and innovation

One of the main properties of paper affecting the quality of reproduction is porosity, which depends on many factors, such as properties of raw materials, casting mode. From this point of view it is important to have ideas about the influence of paper composition on their porous structure and it is important to know the dependencies affecting the formation of the porous structure of paper during their manufacture. Papers based on cellulose pulp from the inner layer of mulberry bark were used as an object of study and lint cotton cellulose papers were taken for comparison. In the paper to …

Impact Of Clay Stabilizer On The Methane Desorption Kinetics And Isotherms Of Longmaxi Shale, China, Zhong Hua Liu, Jia Chun Wang, Baojun Bai, Yan Ling Wang

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Knowing methane desorption characteristics is essential to define the contribution of adsorbed gas to gas well production. To evaluate the synthetic effect of a clay stabilizer solution on methane desorption kinetics and isotherms pertaining to Longmaxi shale, an experimental setup was designed based on the volumetric method. The objective was to conduct experiments on methane adsorption and desorption kinetics and isotherms before and after clay stabilizer treatments. The experimental data were a good fit for both the intraparticle diffusion model and the Freundlich isotherm model. We analyzed the effect of the clay stabilizer on desorption kinetics and isotherms. Results show …

Vermiculations In Painted Caves: New Inputs From Laboratory Experiments And Field Observations, Perrine Freydier, Eric Weber, Jérôme Martin, Pierre-Yves Jeannin, Béatrice Guerrier, Frédéric Doumenc

International Journal of Speleology

Vermiculations are aggregates of small particles commonly found on cave walls. They are a major concern for the conservation of painted caves, as they can potentially alter valuable prehistoric cave paintings. A previous rheological study of fine sediment deposits on cave walls revealed that this material can undergo a solid-to-liquid transition triggered by variations in the chemical composition of the water film on the wall. Such a transition could occur at the origin of vermiculations by allowing the sediment to flow under low mechanical stress. In this work, we provide quantitative information on the conditions leading to this transition and …

Synthesis And Characterization Of A Low-Molecular-Weight Novolac Epoxy Derived From Lignin-Inspired Phenolics., Kelli M Hambleton, Joseph F. Stanzione Iii

Henry M. Rowan College of Engineering Departmental Research

The need for renewable polymers capable of replacing their petrochemical counterparts continues to grow as sustainability concerns rise. Bisguaiacol (BG), a bioinspired alternative to bisphenol-A (BPA), has been synthesized using vanillyl alcohol and guaiacol via an electrophilic aromatic condensation. Purification provides both BG and an oligomeric coproduct with a consistent number average molecular weight and dispersity of ∼650 Da and ∼1.00, respectively. This coproduct has been well characterized as a low-molecular-weight novolac averaging five hydroxyls per molecule and was transformed into an epoxy resin suitable for use in thermosetting resins. The bioinspired thermoset produced in this work, consisting of the …

Towards Detection Of Sars-Cov-2 Rna In Human Saliva: A Paper-Based Cell-Free Toehold Switch Biosensor With A Visual Bioluminescent Output, J. Porter Hunt, Emily Long Zhao, Tyler J. Free, Mehran Soltani, Chandler A. Warr, Alex B. Benedict, Melissa K. Takahashi, Joel S. Griffitts, William G. Pitt, Bradley C. Bundy

Faculty Publications

The COVID-19 pandemic has illustrated the global demand for rapid, low-cost, widely distributable and point-of-care nucleic acid diagnostic technologies. Such technologies could help disrupt transmission, sustain economies and preserve health and lives during widespread infection. In contrast, conventional nucleic acid diagnostic procedures require trained personnel, complex laboratories, expensive equipment, and protracted processing times. In this work, lyophilized cell-free protein synthesis (CFPS) and toehold switch riboregulators are employed to develop a promising paper-based nucleic acid diagnostic platform activated simply by the addition of saliva. First, to facilitate distribution and deployment, an economical paper support matrix is identified and a mass-producible test …

Mechanical Properties And Characterization Of Epoxy Composites Containing Highly Entangled As-Received And Acid Treated Carbon Nanotubes, Aaron Krieg, Julia A. King, Gregory M. Odegard, Timothy Leftwich, Leif K. Odegard, Paul D. Fraley, Ibrahim Miskioglu, Claire Jolowsky, Matthew Lundblad, Jin Gyu Park, Richard Liang

Michigan Tech Publications, Part 1

Huntsman–Merrimack MIRALON® carbon nanotubes (CNTs) are a novel, highly entan-gled, commercially available, and scalable format of nanotubes. As-received and acid-treated CNTs were added to aerospace grade epoxy (CYCOM® 977-3), and the composites were characterized. The epoxy resin is expected to infiltrate the network of the CNTs and could improve mechanical properties. Epoxy composites were tested for flexural and viscoelastic properties and the as-re-ceived and acid treated CNTs were characterized using Field-Emission Scanning and Transmission Electron Microscopy, X-Ray Photoelectron Spectroscopy, and Thermogravimetric Analysis. Composites containing 0.4 wt% as-received CNTs showed an increase in flexural strength, from 136.9 MPa for neat epoxy …

Design Of A Custom Digital Light Projection Printer For In-Situ Production Of Composites With Improved Thermomechanical Properties, Margaret Anne Gillan

Theses and Dissertations

This work seeks to improve upon the existing state-of-the-art for vat photopolymerization additive manufacturing; namely, producing in-situ composites that combine the precision and high-performance materials of the vat photopolymerization with the strength of fiber-reinforced polymer composites. A custom-designed digital light projection printer was designed and built for printing composites, which includes an automated fiber tape system to place woven E-glass fiber mats in-situ. To validate the performance improvement of composites versus the neat matrix, composites were fabricated on the custom printer with hand-placed fiber mats. A high-performance, dual-cure resin was used for these studies. The effect of layer height on …

Metasurface Cloaks To Decouple Closely Spaced Printed Dipole Antenna Arrays Fed By A Microstrip-To-Balanced Transmission-Line Transition, Doojin Lee, Alexander B. Yakovlev

Faculty and Student Publications

In this work, we present a numerical study of 1D and 2D closely spaced antenna arrays of microstrip dipole antennas covered by a metasurface in order to properly cloak and decouple the antenna arrays operating at neighboring frequencies. We show that the two strongly coupled arrays fed by a microstrip-to-balanced transmission-line transition are effectively decoupled in 1D and 2D array scenarios by covering the dipole antenna elements with an elliptically shaped metasurface. The metasurface comprises sub-wavelength periodic metallic strips printed on an elliptically shaped dielectric cover around the dipole antennas and integrated with the substrate. We present a practical design …