Thermodynamics Commons^™

Mathematical Modeling Of Coupled Heat And Mass Transfer In Metal-Hydride Hydrogen Storage Systems, Muhammad Hasnain

College of Graduate Studies: Theses & Dissertations

As a promising clean energy carrier hydrogen has recently gained significant interest, but its efficient and safe storage is a major challenge. Compared to the gaseous state and liquid state, metal hydrides (MH) offer a potentially more effective storage approach for hydrogen. However, the main challenge in this approach is the low thermal conductivity of the MH bed that leads to low heat transfer and ultimately to higher charging and discharging times. The purpose of this work is to develop an in-house comprehensive heat and mass transfer model for hydrogen sorption in MH reactors to simulate the dynamic behavior of …

Supported Metal Nanoparticle Synthesis: Precursor Deposition And Agglomeration At Support Surfaces, Edward H. Chandler Jr.

Theses and Dissertations

Catalysis is a critical component of the chemical manufacturing industry. For example, it has been estimated to be essential to more than 90% of the major industrial processes developed during the middle years of the 20^th century.¹ Heterogeneously supported transition metal catalysts in particular have many benefits such as easy separability from the reaction mixture and high thermal stability. One method of synthesizing these is wet impregnation, wherein a metal solution is brought into contact with an oxide- or carbon-based powder. Given optimal environmental conditions, a metal will adhere to the surface through electrostatic means in a process …

Change Of Metal Oxidation State At High Temperature, Impact Of Temperature And Reactive Gases, Yegor Nikitin

Dissertations and Theses

The fundamental understanding of gas-solid reactions enables a wide range of applications to be developed and improved. Specifically, the use of metal-based materials is critical to ensuring robust, safe, and long-term operations. For example, in power systems where boilers are used to generate steam for heat or electricity generation the use of stainless metal alloys is critical to allow high quality steam to be produced in a very harsh environment. Alternatively, in catalysis, the use of metal doped heterogeneous catalysts are essential in achieving selectivity and conversion performance for chemical synthesis to emissions abatement. Typically, these metal alloys must withstand …

Hydrodynamics Of Drops And Particles Driven By Marangoni And Diffusiophoretic Forces, Subramaniam Chembai Ganesh

Dissertations and Theses

This study investigates the hydrodynamics of particles and drops driven by forces generated by an asymmetrical physical and chemical surrounding environment. In the first part, a novel colloidal motor design driven by surface tension forces is proposed, utilizing an active Janus particle encapsulated in an immiscible liquid drop to form a compound drop/particle. Marangoni forces induced by asymmetric solute adsorption at the liquid-liquid interface of the drop propels the compound system. The propulsion speeds of the motor are analyzed for various relative sizes and configurations of the Janus particle and the encapsulating drop and the effects of varying the transport …

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 …

Effects Of Electron Beam Irradiation On Crmnv And Crmntiv High Entropy Alloys: Nano-Mechanical, Structural, And Thermodynamic Perspectives, N. A. Sultana, Y. S. Mohammed, S. J. Pendleton, J. Vennekate, G. Ciovati, X. Li, H. Baumgart, A. A. Elmustafa

Mechanical & Aerospace Engineering Faculty Publications

Beam exit windows are crucial components of any particle accelerator as they provide an interface between the beamline vacuum and target material at atmospheric media. For high beam power machines, special materials and designs are required to withstand high radiation and mechanical loads, while minimizing energy loss during transition and maximizing window lifetime. This research investigates the impact of electron beam exposure to bulk CrMnV and CrMnTiV high entropy alloys (HEAs) with the primary goal of identifying suitable candidate materials for the design of robust and durable exit window settings. The selection criteria include intrinsic characteristics, power dissipation, and mechanical …

Carbon Dioxide Gasification Of Biochar: A Study On Utilizing Captured Co2 To Mitigate Greenhouse Gas Emission And Improving Carbon Conversion Efficiency, Nnamdi Ofuani

College of Graduate Studies: Theses & Dissertations

With rapidly growing global economies and world population, fossil fuel continues to play a major role in meeting current energy demands. Carbon capture and storage (CCS) technologies have, hence, been implemented to reduce CO₂ emissions in the atmosphere. With the implementation of CCS technologies comes the need to utilize the captured CO₂. This research, therefore, proposes CO₂ gasification of biochar as a viable carbon utilization pathway. With captured CO₂ coming at various concentrations, there is a need to understand how CO₂ concentration affects biochar conversion to useful products. This study, therefore, evaluates the effects …

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 …

Causational Analysis And Rectification Of Issues Concerning Scale Formation On Hot-Rolled Straight Bar Product And Its Effects On Ultrasonic Testing, Riley Mattix

Williams Honors College, Honors Research Projects

At Charter Steel's NDT Processing Plant located in Cleveland, Ohio, a concern has arisen regarding the recently implemented bar straightening and UT (Ultrasonic Testing) equipment. A substantial amount of mill scale, which is typically removed during the straightening process, is persisting on the bar’s surface throughout most of the NDT procedure. This lingering scale has been observed to flake off once inside the UT equipment, introducing unwanted noise and phantom peaks into the UT readings. Additionally, thick mill scale has been identified as a source of background interference in the received data. In contrast, bars that have been subjected to …

Investigation Of Operational Parameter Differences Between The Standard Ron Test Method And Knock-Limited Modern Spark-Ignition Engine Operation, Alexander Hoth

Dissertations, Master's Theses and Master's Reports

Octane numbers (ONs) are used worldwide to rate the knock propensity of gasoline-like fuels for spark-ignition engines, making ONs the leading indicator of fuel quality for commercial distribution. The ONs were established 90 years ago and have only received minor changes compared to significant advancements in modern engine operation and fuel composition. This has resulted in discrepancies between knock-limited modern engine operation and standard ON ratings. This dissertation used a standard CFR octane rating engine at Argonne National Laboratory that was instrumented with modern combustion research tools to investigate key differences between the Research Octane Number (RON) rating conditions 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 …

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 …