Thermodynamics Commons^™

Numerical Modeling Of Thermal Runaway In Lithium-Ion Batteries Using Decomposition Kinetics And Inter-Cell Contact Resistance, Shehzad Khan

College of Graduate Studies: Theses & Dissertations

Lithium-ion batteries (LIBs) are central in numerous high-demand applications due to their high energy density and prolonged cycle life. Despite these advantages, their susceptibility to thermal runaway (TR) poses a significant safety risk, with the potential for catastrophic failures. This study focuses on the thermal behavior of prismatic lithium-ion cells, using a finite volume-based partial differential equation (PDE) solver developed in MATLAB and JULIA to model TR behavior. This solver accurately simulates transient behaviors, convection, diffusion, and source terms across various coordinate systems. By engaging in a series of increasing complex case studies, this research aims to identify the critical …

Impacts Of Key Degradation Byproducts On Amine Scrubbing For Post-Combustion Carbon Capture, Thomas Jorgensen

Theses and Dissertations--Chemistry

The increasing atmospheric CO₂ concentration causes significant concern about global warming and its environmental impact. Industrial sectors, including power generation, transportation, and production factories, contribute most of the anthropogenic sources of CO₂ emissions. Researchers search for methods to mitigate these CO₂ emissions without compromising the benefits of industrial processes, including CO₂ capture, utilization, and sequestration (CCUS). Post-combustion carbon capture (PCCC) by amine scrubbing is the most technology ready CCUS, with various pilot-scale projects worldwide showing small-scale to fully operational plants. While researchers have made significant progress in amine scrubbing, they strive to improve the efficiency and …

Microplate-Like Metal Pyrophosphate Engineered On Ni-Foam Towards Multifunctional Electrode Material For Energy Conversion And Storage, Rishabh Srivastava

Electronic Theses & Dissertations

High clean energy demand, dire need for sustainable development, and low carbon footprints are the few intuitive challenges, leading researchers to aim for research and development for high-performance energy devices. The development of materials used in energy devices is currently focused on enhancing the performance, electronic properties, and durability of devices. Tunning the attributes of transition metals using pyrophosphate (P₂O₇) ligand moieties can be a promising approach to meet the requirements of energy devices such as water electrolyzers and supercapacitors, although such a material’s configuration is rarely exposed for this purpose of study.

Herein, we grow …

Computationally-Driven Insights Into The Ligand Environments Of Materials For Catalysis And Separations, Stephen Vicchio

All Dissertations

Designing new catalytic and sorption materials is necessary to limit global temperature rise below 1.5 ◦C by 2050, while also meeting global energy demands. Climate change and energy production are not mutually exclusive; global population growth has direct impacts on global energy demands and climate. In both catalysis and adsorption applications, new technologies are needed to address these challenges. Catalysis can provide alternate, low-energy routes for converting low-value gases into higher-value chemical commodities, thus altering our current energy production. Likewise, new sorption materials can capture previously emitted CO₂ from decades of energy production from fossil fuels, thus helping to …

Numerical Investigations Of Sco2 Compressor Aerothermodynamics Using A Streamline Curvature Based Throughflow Method, Victor Quintanilla

UNLV Theses, Dissertations, Professional Papers, and Capstones

Supercritical carbon dioxide (sCO₂) has emerged as a promising working fluid for the Brayton power cycle, offering enhanced efficiency due to the high density and low viscosity of carbon dioxide (CO₂) near the critical point. A critical component of the sCO₂ Brayton cycle is the turbomachinery, namely the compressor, which significantly contributes to the efficiency enhancement in the sCO₂ Brayton cycle owing to reduced compression work requirements. Its primary function involves elevating the fluid's pressure, effectively priming it for the subsequent heat addition process from a thermal energy source. However, despite its advantages, challenges …

Assessing The Thermodynamic Potential Of Deep Eutectic Solvents In The Absorption Of Greenhouse Gases Through Computational Methods., Thomas Michael Quaid

Theses and Dissertations

Greenhouse gas (GHG) capture is a fundamental technology in the fight against climate change. Some species of devastating GHGs like fluorinated compounds are released directly to the air from industrial processes. Some GHGs are co-produced in sustainably derived biofuels which require absorptive upgrading. The development of more efficient, cost effective, and environmentally friendly methods of capturing GHG’s from pollutant sources and industrial streams is of utmost importance in the fight against climate change. Deep eutectic solvents have entered the separations stage as potential disruptors to conventional solvent choices for a variety of applications. Deep eutectic solvents (DES) are compounds of …

Assessing The Thermodynamic Potential Of Deep Eutectic Solvents In The Absorption Of Greenhouse Gases Through Computational Methods, Thomas Michael Quaid

Theses and Dissertations

Greenhouse gas (GHG) capture is a fundamental technology in the fight against climate change. Some species of devastating GHGs like fluorinated compounds are released directly to the air from industrial processes. Some GHGs are co-produced in sustainably derived biofuels which require absorptive upgrading. The development of more efficient, cost effective, and environmentally friendly methods of capturing GHG’s from pollutant sources and industrial streams is of utmost importance in the fight against climate change. Deep eutectic solvents have entered the separations stage as potential disruptors to conventional solvent choices for a variety of applications. Deep eutectic solvents (DES) are compounds of …

Employment Of Intelligent Predictive Maintenance On Thermal Power Plant Component Parts Taking Condenser Vacuum As A Case Study, Titus Ajewole

Tanzania Journal of Engineering and Technology (TJET)

This work proposes deployment of machine learning in the maintenance of individual constituent parts of steam power plant assemblages. With the condenser vacuum of a steam turbine (in a six-turbine plant assemblage) taken as a case study, information on the past operating parameters of the selected plant component was used to forecast its future working condition. Based on Exponential Gaussian Process of Regression, a model was developed, trained using the diachronic operational data, and employed in determining the future. A quantitative evaluation was employed to provide the distribution of the test values of the data about the lines of regression, …

Freestanding Graphene Heat Engine Analyzed Using Stochastic Thermodynamics, J. Durbin, J. M. Mangum, M. N. Gikunda, F. Harerimana, P. Kumar, L. L. Bonilla, P. M. Thibado

Physics Faculty Publications and Presentations

We present an Ito-Langevin model for freestanding graphene connected to an electrical circuit. The graphene is treated as a Brownian particle in a double-well potential and is adjacent to a fixed electrode to form a variable capacitor. The capacitor is connected in series with a battery and a load resistor. The capacitor and resistor are given separate thermal reservoirs. We have solved the coupled Ito-Langevin equations for a broad range of temperature differences between the two reservoirs. Using ensemble averages, we report the rate of change in energy, heat, and work using stochastic thermodynamics. When the resistor is held at …

Molecular Simulations Of Mechanical Effects Of Adsorption In Gas And Liquid Phases, Alina Emelianova

Dissertations

Fluids adsorbing in nanoporous solids cause high pressures that affect the solids and the properties of the fluids themselves. This work explores the mechanical response of solids to the adsorption of gas and liquid. Chapter 1 outlines the current achievements in investigating the mechanical response of adsorbents to the adsorption process, specifically, the computational approaches to predict adsorption-induced deformation. Chapter 2 introduces the theoretical and computational methods employed in this work. Chapters 3-7 address the design and application of the computational techniques for such prediction in different systems: mesoporous silica, microporous zeolites, and metal-organic frameworks, and Chapter 8 focuses on …

Bridging The Gap Between Phase Behavior And Processing For Renewable And Refinable Carbonaceous Precursors, Graham Tindall

All Dissertations

As a category of materials, engineered carbons, specifically carbon fibers, are first-in-class for properties such as modulus, specific strength, and thermal resilience; however, the inability to directly process atomic carbon necessitates the development and optimization of carbonaceous precursors. Because the structure and properties of carbon are highly dependent on the precursors and requisite processing, numerous materials have been investigated as feedstocks for large-scale production. Although cellulose and rayon were among the first investigated, polyacrylonitrile (PAN) is the current hegemon of carbon fiber precursors. PAN feeds 90% of this market, but it is neither inexpensive nor renewable. Because a significant fraction …

Heat Transfer From Plates, Leanza Trevino

Chemical Engineering Undergraduate Honors Theses

The purpose of this honors thesis is to create an experiment for the CHEG Lab I course. This is a continuation of work done by Alexa Moreno. She created an experiment to model free convection of a horizontal plate. In this report, free and forced convection of a vertical and horizontal plate, respectively are modeled. This report explains the motivation for creating this heat convection experiment, the results of performing the experiment, and provides recommendations for future work on this experiment. Lab handouts are included in the Appendix.

Probing The Structure Of Water On Surfaces: From Water Absorption To Ice Nucleation, Jiarun Zhou

All Dissertations

Water, essential for all life forms, is the most abundant, simple, yet mysterious molecule in the world. This molecule, consisting of only three atoms, behaves in unexpectedly different ways with the change of environment. In the past, studies of water under different conditions (temperature, pressure, on the surfaces, with confinement) have been conducted using experimental and computational methods. However, the influence of a given environment on water properties is yet to be fully understood. This dissertation studies water at complex interfaces (surfaces with various chemistry and physics properties) in both the liquid and crystalline states. Various heterogeneous systems used to …

The Study Of Corrosion On Additive-Manufactured Metals., Braydan Daniels

Electronic Theses and Dissertations

The purpose of this study was to investigate and compare the corrosion mechanisms between wrought and additive-manufactured (3D-printed) copper and stainless steel. The experimental procedure consisted of measuring the open circuit potential, electrochemical impedance spectroscopy, linear sweep voltammetry, Tafel analysis, surface topology, and scanning electron microscopy for each metal within salt water, tap water, sulfuric acid, and synthetic body fluid (excluding copper in synthetic body fluid).

Overall, printed stainless steel was more corrosion-resistant than wrought stainless steel in tap water and synthetic body fluid based on OCP, LSV, and surface topology results. Additionally, printed copper was more corrosion-resistant than wrought …

A Molecular Dynamics Study Of Structural Modifications Of Perarylphosphonium Based Ionic Liquids On The Melting Point, Johnathan Anderson

Graduate Theses and Dissertations (2019 - present)

Several perarylphosphonium based mesothermal ionic liquids (ILs) have been shown to be stable at high temperatures for prolonged periods of time and with high heat capacities making them good candidates for use in many processes such as usage as a heat transfer fluid, as an absorbent for separation of aromatics from aliphatics, and as a solvent for high temperature reactions. Many, however, have melting points above 100^o C, limiting their use. Recently, it was shown that the melting point of an IL can be lowered by simply increasing the dipole moment of the cation or by structurally rigidifying the …

Non-Equilibrium Colloidal Phenomena In Magnetic Fields And Photoillumination: From Controlling Living Microbots To Understanding Microplastics, Ahmed Al Harraq

LSU Doctoral Dissertations

Colloids are a ubiquitous class of materials composed of microscopic particles suspended in a continuous phase which are found in everyday products and in nature. Colloids are also useful models for studying the spontaneous arrangement of matter from individual building blocks to mesophases. Standard treatment of colloid science is based on the assumption of equilibrium conditions, as defined in traditional thermodynamics. However, novel assembly mechanisms and motility are unlocked by pushing colloids away from equilibrium using external energy. In addition, many colloids in nature and in industrial applications exchange energy and mass with the surrounding environment thus behaving in a …

Attrition Study Of Copper-Supplemented Iron-Based Oxygen Carrier For Chemical Looping Combustion, Neng Huang

Theses and Dissertations--Mechanical and Aerospace Engineering

Chemical looping combustion (CLC) is a promising technology that can mitigate the carbon emissions for power generation. The cost of oxygen carriers (OCs) impedes the scale up of CLC. Compared to synthetic iron-based OCs, red mud (RM), an abundant iron-based solid waste from industry, is a cost-effective choice due to its intrinsic inclusion of both inert and catalytic phases that are crucial for CLC. It was anticipated that the addition of copper oxide to RM using a mechanical mixing method that can be easily scaled up would enhance both reactivity and oxygen transport capacity (OTC), and the heat of reaction …

Impact Of Spallation And Internal Radiation On Fibrous Ablative Materials, Raghava Sai Chaitanya Davuluri

Theses and Dissertations--Mechanical and Aerospace Engineering

Space vehicles are equipped with Thermal Protection Systems (TPS) that encounter high heat rates and protect the payload while entering a planetary atmosphere. For most missions that interest NASA, ablative materials are used as TPS. These materials undergo several mass and energy transfer mechanisms to absorb intense heat. The size and construction of the TPS are based on the composition of the planetary atmosphere and the impact of various ablative mechanisms on the flow field and the material. Therefore, it is essential to quantify the rates of different ablative phenomena to model TPS accurately. In this work, the impact of …

More On The Demons Of Thermodynamics, Daniel P. Sheehan, Garret Moddel, James W. Lee

Chemistry & Biochemistry Faculty Publications

No abstract provided.

Outstanding Advantages, Current Drawbacks, And Significant Recent Developments In Mechanochemistry: A Perspective View, Silvina Pagola

Chemistry & Biochemistry Faculty Publications

Although known since antiquity, mechanochemistry has remained dormant for centuries. Nowadays, mechanochemistry is a flourishing research field at the simultaneous stages of gathering data and (often astonishing) observations, and scientific argumentation toward their analysis, for which the combination of interdisciplinary expertise is necessary. Mechanochemistry’s implementation as a synthetic method is constantly increasing, although it remains far from being fully exploited, or understood on the basis of fundamental principles. This review starts by describing many remarkable advantages of mechanochemical reactions, simplifying and “greening” chemistry in solutions. This description is followed by an overview of the current main weaknesses to be addressed …