Thermodynamics Commons^™

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 …

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.

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 …

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 …

Evaluating The Impact Of Increased Cycling On Thermal Power Plants Due To Wind Energy Penetration In The Midwest: A Case Study, Joscelyne Larson

Electronic Theses and Dissertations

One of the most significant shifts in the mix of U.S. electricity generation over the past few years has been the rapid expansion of renewable energy resources, especially solar and wind. However, fossil fuels are still necessary to fulfill the world’s energy requirements. Despite efforts to increase the use of renewable energy sources, these sources can be at times unreliable, causing countries around the world to continue to rely on base load units such as coal and natural gas. This decrease in fossil fuels and increase in renewable energy sources presents many complex issues in terms of power system planning, …

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 …

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

Chemistry & Biochemistry Faculty Publications

No abstract provided.

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 …

Evaluating Electrification Of Fossil Fuel-Fired Boilers For Decarbonization Using Discrete Event Simulation, Nahian Ismail Chowdhury

Graduate Theses, Dissertations, and Problem Reports (ETD)

Decarbonizing fossil fuel usage is crucial in mitigating the impacts of climate change. CO2, which comprises the major portion of greenhouse gas, is emitted from burning fossil fuels. One of the significant sources of fossil fuel user is industrial process heating, and most of the heating in industrial processes is achieved through boilers. Electrification is a promising solution for decarbonizing these boilers, as it enables renewable energy sources to generate electricity, which can then be used to power the electric boilers. The electrification of boilers can reduce greenhouse gas emissions, improve air quality, and increase energy efficiency. However, it requires …

Teflon Replacement In Pans, Teodora Neamtu

Williams Honors College, Honors Research Projects

The purpose of the project is to determine an optimal prepping method of common cooking oils for pans that will be as effective as Teflon non-stick pans. The reason for this is to replace Teflon coating in pans, which can be very toxic for humans and the environment. Teflon has been a common coating for non-stick surfaces that is useful when cooking things such as eggs. To determine an optimal cooking method, three different oils were used: olive oil, vegetable oil, and shortening. The oils were tested on an aluminum pan by cooking egg whites at various temperatures, cooking times, …

Techno-Economic Analysis And Optimization Of Hydrogen And Mechanical Energy Storage Systems, Pavitra Senthamilselvan Sengalani

Graduate Theses, Dissertations, and Problem Reports (ETD)

The increasing significance of renewable energy sources is thrusting the load cycling of fossil-fueled power plants (FFPP), designed to operate under nominal-load conditions. Integration of energy storage systems (ESS) with the FFPPs such as hydrogen energy storage (HES) and mechanical energy storage facility such as compressed air energy storage (CAES) shows the potential to minimize the levelized cost of electricity during high demand scenarios and also minimize the negative impacts of off-design FFPP operation. The deployment of energy storage facilities at the FFPP level have considerable potential advantages as they can be exploited within the existing equipment items and facilities …

Combustion Characteristics Of Methane, Ethane, Propane, And Butane Blends Under Conditions Relevant Of A Dual-Fuel Diesel And Natural Gas Engine, Christopher Joseph Ulishney

Graduate Theses, Dissertations, and Problem Reports (ETD)

As natural gas production infrastructure is already in place in most of the world and will continue expanding for the foreseeable future, natural gas is an alternative to traditional liquid petroleum fuels in heavy-duty engines. Dedicated natural gas or dual-fuel diesel-natural gas heavy-duty engines are alternatives to diesel-only power generation equipment. One challenge is the large variation in the natural gas composition available for such applications, which is known to significantly affect engine’s combustion characteristics and the emissions composition. As the literature on dual-fuel combustion under low load engine operating conditions that use more realistic natural gas mixtures (i.e., mixtures …

Fugacity-Based Lattice Boltzmann Method For Multicomponent Multiphase Systems, Muzammil Soomro, Luis F. Ayala, Cheng Peng, Orlando M. Ayala

Engineering Technology Faculty Publications

The free-energy model can extend the lattice Boltzmann method to multiphase systems. However, there is a lack of models capable of simulating multicomponent multiphase fluids with partial miscibility. In addition, existing models cannot be generalized to honor thermodynamic information provided by any multicomponent equation of state of choice. In this paper, we introduce a free-energy lattice Boltzmann model where the forcing term is determined by the fugacity of the species, the thermodynamic property that connects species partial pressure to chemical potential calculations. By doing so, we are able to carry out multicomponent multiphase simulations of partially miscible fluids and generalize …

Molecular Understanding Of Zwitterions And Quantum Computing For Sustainability, Manh Tien Nguyen

Theses and Dissertations--Chemical and Materials Engineering

The sustainable development of society needs sustainable energy solutions and the mitigation of greenhouse gas emissions. One key subject in this area is the development of safe and efficient ion-based batteries. Moreover, CO₂ capture is a crucial pathway in mitigating emissions from the combustion of fossil fuels. Ongoing efforts are to improve both technologies' safety and efficiency. This thesis presents our efforts to conduct computational research on understanding advanced zwitterionic electrolytes and CO₂ capture. Chapters 2-4 illustrate the computational research to understand ionic solvation in zwitterionic electrolytes. Solid-state electrolytes are essential for safer batteries. While solid polymer electrolytes …

Thermal Analysis Of Thermal Shield For Pip-Ii Ssr1 Cryomodule, Victor Aguado Rodriguez

Graduate Research Theses & Dissertations

Fermilab's PIP-II project plans to enhance the onsite accelerator into the world's most intense neutrino beam, bringing Fermilab into the next generation of particle accelerators. The five different types of cryomodules are vital parts of the PIP-II project and each requires numerous engineering analyses to prove operation. For example, the thermal shield of the Single Spoke Resonator-1 (SSR1) cryomodule required a thermal analysis to ensure the design was operating as intended before fabrication commenced. The thermal shield is cooled by the supercritical helium inside of the extrusion and must remain between 45 and 80 Kelvin. The main purpose of the …

Investigations Of A Surrogate Fuel Based On Fischer-Tropsch Gtl And Ctl In Cvcc, Idi And Di Compression Ignition Engines, Amanda C. Weaver

College of Graduate Studies: Theses & Dissertations

With the increase in availability, feedstocks, and properties of alternative fuels, compatibility issues emerge between current engine platforms often requiring a limit on the blend percentage of alternative fuel in conventional fuel or alteration to the engine platform. Two key metrics were identified, autoignition quality and lubrication characteristics, as vital for the proper function of a compression ignition engine, and if the blend of alternative fuels matches these two criteria for the diesel standard, then the resulting blend percentage can be considered as a viable alternative for complete replacement of conventional petroleum ULSD. Autoignition quality was matched using blends S-8, …

Structure And Dynamics Of Lignin In Condensed Phase For Biomass Conversion, Nusrat Jahan

Theses and Dissertations

Lignocellulosic biomass represents the largest potential volume and lowest cost for biofuel and biochemical production. Harnessing the full potential of the lignocellulosic biomass for low-carbon energy requires the knowledge of efficient breakdown and fractionation of its carbohydrates and lignin. Organic solvent pretreatment is recognized as an emerging way ahead because of its inherent advantages, such as the ability to fractionate lignocellulosic biomass into cellulose, lignin, and hemicellulose components with high purity, as well as easy solvent recovery and solvent reuse. Through all-atom MD simulation, we analyze the conformational transition of diverse lignin molecules in varying concentration of Methanol/water , DMSO/water …

Generation Of Phase Transitions Boundaries Via Convolutional Neural Networks, Christopher Alexis Ibarra

Open Access Theses & Dissertations

Accurate mapping of phase transitions boundaries is crucial in accurately modeling the equation of state of materials. The phase transitions can be structural (solid-solid) driven by temperature or pressure or a phase change like melting which defines the solid-liquid melt line. There exist many computational methods for evaluating the phase diagram at a particular point in temperature (T) and pressure (P). Most of these methods involve evaluation of a single (P,T) point at a time. The present work partially automates the search for phase boundaries lines utilizing a machine learning method based on convolutional neural networks and an efficient search …

Elucidation Of Active Site And Mechanism Of Metal Catalysts Supported In Nu-1000, Hafeera Shabbir

All Dissertations

Advances in extraction of shale oil and gas has increased the production of geographically stranded natural gas (primarily consisting of methane (C1) and ethane (C2)) that is burned on site. A potential utilization strategy for shale gas is to convert it into fuel range hydrocarbons by catalytic dehydrogenation followed by oligomerization by direct efficient catalysts. This work focuses on understanding metal cation catalysts supported on metal-organic framework (MOF) NU-1000 that will actively and selectively do this transformation under mild reaction conditions, while remaining stable to deactivation (via metal agglomeration or sintering). I built computational models validated by experimental methods to …