Engineering Commons^™

Mathematical Modeling Of Lithium-Sulfur Batteries, Niloofar Kamyab

Theses and Dissertations

Energy storage market transformed by utilization of lithium-ion batteries, will demand high and affordable deliverable energy in the near future which it would be impossible for the current employed technologies to meet those needs Among new generation of lithium batteries, high theoretical energy density, good low-temperature performance, and abundance of inexpensive nontoxic raw material, make the lithium-sulfur batteries (LiS) a promising candidate to outperform the current lithium-ion batteries and transform the technology of the future. However, the problems and challenges that LiS batteries are currently facing with, which stem from the inherent complex mechanism of these cells, are hindering their …

Volume Frequency Response Method For Determining Mass Transfer Mechanisms Of O2 In Carbon Molecular Sieve 3k172, Olivia Smithson

Theses and Dissertations

Carbon molecular sieves (CMS) have grown more desirable over the years as an adsorbent for industrial separation processes as CMS technology has advanced. CMS is commonly used in nitrogen inerting (i.e, oxygen removal from air), carbon dioxide removal from methane and oxygen purification. However, knowledge of the dynamic behavior of these gases on CMS is needed to design and operate efficient and effective separation processes. For this reason, the mass transfer resistances within the micropore at both low and high frequencies were characterized using frequency response, COMSOL Multiphysics modeling, and MATLAB optimization , because frequency response methods have demonstrated the …

Hydrogenation Of Dimethyl Oxalate To Ethylene Glycol Over Silica Supported Copper Catalysts, Xinbin Yu

Theses and Dissertations

Ethylene glycol is a bulk chemical and hydrogenation of dimethyl oxalate (DMO) on Cu/SiO2 catalysts is the final reaction step in a growing industrial syngas to ethylene glycol (StEG) process. Efforts to improve the performance of the catalysts are still ongoing and the detailed catalytic mechanism remains controversial.

In the present work, a series of 10 wt% Cu/SiO₂ is prepared.by urea hydrolysis method and indium species is introduced by incipient wetness impregnation. Reaction studies show that 0.25 wt%-0.5 wt% of indium species can dramatically enhance the performance of 10 wt% Cu/SiO₂ catalyst. Various characterizations reveal that indium species …

Fundamental Studies Of Oxygen Electrocatalysis In Alkaline Electrochemical Cells, Victoria F. Mattick

Theses and Dissertations

Until recently the world’s main source of energy has been fossil fuels, such as coal and petroleum. However, these energy sources are polluting our planet, becoming scarce and increasingly inaccessible, and are costly to extract. Therefore, much attention has been directed to harvesting clean, abundant, and renewable energy, such as solar rays and wind. However, the intermittency of solar and wind power generation requires an effective energy buffering solution (aka energy storage) to become efficient and reliable. With high efficiency and energy density, rechargeable batteries and reversible fuel cells are two of the best methods for this purpose. Unfortunately, a …

Theoretical Investigation Of The Biomass Conversion On Transition Metal Surfaces Based On Density Functional Theory Calculations And Machine Learning, Wenqiang Yang

Theses and Dissertations

During the past decades, heterogenous catalyzed conversion of biomass to hydrocarbons with similar or identical properties to conventional fossil fuels has gained significantly academic and industrial interest. However, the conventional heterogeneous catalysts such as sulfided NiMo/Al₂O₃ and CoMo/Al₂O₃ used have various drawbacks, such as short catalyst lifetime and high sulfur content of product. To overcome the limitations of the conventional sulfided catalysts, new catalysts must be developed, which requires a better understanding of the reaction mechanism of the biomass conversion. Based on density functional theory, in this thesis, we reported a computational calculation study …

Investigation Of Oxidized Carbon Supported Au Catalysts Synthesized Via Strong Electrostatic Adsorption Of Au(En)2Cl3 For The Hydrochlorination Of Acetylene To Vinyl Chloride Monomer, Sean Reginald Noble

Theses and Dissertations

Over 20 million tons of vinyl chloride monomer (VCM) is produced every year using acetylene hydrochlorination using a supported mercuric chloride catalyst. During this process mercury is reduced and sublimes into the environment harming all living animals and humans, so carbon-supported Au catalysts have been developed in attempts to replace it. Various techniques have been used to make these catalysts including several variations of dry impregnation. In this study we investigate the ability of Strong Electrostatic Adsorption (SEA) of Au(en)₂Cl₃ onto various supports to demonstrate the ability to rationally and consistently synthesize gold catalysts with ultra-small particle …

Solid Materials Discovery For Thin Films, Oxide Catalysts, And Polymer Sealants, Benjamin Ruiz-Yi

Theses and Dissertations

Solid materials are made up of multiple classes, including metals, ceramics, and polymers. While each class can be developed for general purpose applications or highly specialized, discovery of new materials in order to improve upon desired properties is a non-trivial task for any type of material. A wide variety of materials encompass expansive design spaces, consisting of parameters such as chemical compositions, synthesis conditions, and post-processing. Due to this, narrowing down the design space to fit within a given figure-of-merit and economic viability becomes time consuming at best and infeasible at worst. High-throughput experimentation

High-throughput experimentation (HTE) is a methodology …

The Development Of Polymer Constructs For Adipose Tissue Engineering Applications, Kendall Murphy

Theses and Dissertations

The adipose tissue functions as the body’s main energy reservoir and plays a central role in maintaining whole body energy homeostasis. The ability to modulate this tissue’s inherent endocrine and metabolic functions has promising implications in treating disease associated with adipose tissue dysfunction. This work revolves around two diseases where adipose tissue inflammation and metabolic dysfunction drive the disease, obesity and cachexia. Both diseases impact a significant population of U.S. adults and substantially reduce patient quality of life.

In this study, we first demonstrate the use of novel therapeutic platforms engineered to specifically target adipose tissue inflammation and lipid catabolism …

Influence Of Coordination Environment On Catalyst Structure And Function For Co2 Hydrogenation And Ethane Partial Oxidation, Juan D. Jimenez

Theses and Dissertations

In this work, we set out to establish strong structure/activity relationships for various catalytic compositions and reactions. Through in situ spectroscopic approaches, specifically DRIFTS, Raman XPS, and XAFS, we were able to discern the reactive species in CO₂ hydrogenation over highly active cobalt nanostructures, the relevant ensemble size and composition of single site catalysts for CO₂ hydrogenation, and active vibrational modes of mixed oxide catalysts for ethane partial oxidation (EPO).

First, we illustrate how tailoring surface orientations of Co₃O₄ catalysts on the nanoscale results in control over catalytic performance via the preferential formation of active …

Multi-Scale Modeling For Transport Study Inside Porous Layers Of Polymer Electrolyte Membrane Fuel Cell Using Direct Numerical Simulation, Pongsarun Satjaritanun

Theses and Dissertations

The direct modeling-based Lattice Boltzmann Agglomeration Method (LBAM) is used to explore the electrochemical kinetics and multi-scalar/multi-physics transport inside the detailed structure of the porous and catalyst layers inside polymer electrolyte membrane fuel cells (PEMFCs). The complete structure of the samples is obtained by both micro- and nano- X-ray computed tomography (CT). LBAM is able to predict the electrochemical kinetics in the nanoscale catalyst layer and investigate the electrochemical variables during cell operation. This work shows success in integrating the lattice elements into an agglomerate structure in the catalyst layer (CL). The predictions using LBAM were compared and validated with …