Materials Chemistry Commons^™

Optimization Of Transition-Metal Inclusive Carbon Aerogels For Electrochemical Energy Applications, Allen Dalton Davis

Electronic Theses & Dissertations

The ever-growing need for energy alongside rising concerns for climate change demands the development of renewable energy technologies. Hydrogen fuel cells are a promising technology that can serve to either supplement energy generation or act as a lone power source. Yet for these devices to be truly green, the hydrogen that serves as fuel must be procured from a renewable resource. Electrolytic water splitting is a process that allows for the dissociation of water into H₂ and O₂. For this process to be practical, the electrolyzer needs to demonstrate high efficiency and stability, as well as a …

From Waste To Energy: The Electrochemical Reduction Of Co2 Using Recycled Nanostructured Catalysts, Ibrahim Badawy

Theses and Dissertations

The reduction of carbon dioxide (CO₂RR) using electrochemistry is a promising solution for the burgeoning global energy crisis. The overall vision of its implementation relies on renewable energy sources to power the reaction creating carbon neutral products and effectively closing the carbon cycle. Research in this field has come a long way since its inception in the mid-1900s. However, there remain significant hurdles and important considerations to overcome in order to reach full commercialization. Most electrocatalysts tested for CO₂RR have been designed solely for maximum performance while ignoring the environmental consequences if such a material were …

Design And Fabrication Of Nanostructured Electrodes For Complementary Electrochemical And Photoelectrochemical Water Splitting, Kholoud El Sayed Abousalem

Theses and Dissertations

Designing highly active, durable, and nonprecious electrodes for overall water splitting is of urgent scientific importance to realize sustainable hydrogen production. Accordingly, the need to search efficient energy production systems is of crucial necessity. In this thesis, two various systems for sustainable hydrogen production have been reported using electrochemical and photoelectrochemical pathways. In the first part of the thesis, electrochemical water splitting involving both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) has been established. To this end, an innovative approach is demonstrated to synthesize flower-like 3D homogenous trimetallic Mn, Ni, Co phosphide catalysts directly on nickel foam via …

Modeling Vitexin And Isovitexin Flavones As Corrosion Inhibitors For Aluminium Metal, Abdullahi Muhammad Ayuba, Umaru Umar

Karbala International Journal of Modern Science

Theoretically, the aluminium corrosion inhibitive performance of vitexin (VTX) and isovitexin (SVT) were evaluated with a view of establishing the mechanism of the inhibition process. Calculations which include the consideration of several global descriptors were studied to describe and correlate the reactivity of the molecules with the computed descriptors. First and second-order condensed Fukui functions were employed to analyze local reactivity parameters, while simulations involving the adsorbed molecules on Al (1 1 0) surface were conducted through quench dynamic simulations and the mechanism of physical adsorption was established with SVT relatively been a better inhibitor on Al surface than VTX.

Application Of Titrations For Verification Of Small Molecule Interaction In Relation To Amidoximated Fibers For Uranium Extraction From Seawater, Kc Michael Mote

Masters Theses

Nuclear energy is a promising substitute for fossil fuels due to possessing low carbon emissions and providing scalable base-load power. However, one major drawback of using nuclear fuel as an energy source is that it needs a steady source of uranium. While the most economical method of obtaining uranium is through conventional terrestrial mining of the ore uranite, mining uranium ores is both harmful to the environment and limited by the terrestrial uranium supply, which is estimated at only 100 more years. However, more than 1000× more uranium is dissolved in seawater than is reasonably inferred and assured in terrestrial …

Valorization Of Xylan In Agroforestry Waste Streams, Harrison Appiah

Graduate Theses, Dissertations, and Problem Reports

Valorization of Xylan in Agroforestry Waste Streams.

Harrison Appiah

Microwave-assisted deep eutectic solvent and gamma-valerolactone metallic chloride catalyzed conversion of xylan to furfural were investigated using a 2x3 factorial experimental design at two levels of percent microwave power, reaction time, and catalyst concentration. The levels of each factor studied were (20%, 60% microwave power, 2, 4 minutes, and 10, 20mg) respectively. The effect of three metallic chloride catalysts (LiCl, FeCl3.6H20, CuCl2) on the conversion of xylan to furfural was also investigated. The gamma-valerolactone-ferric chloride sent system exhibited the highest mean yield of furfural (56.50%). The next highest furfural yield of …

An In-Situ Study Of The Aqueous Speciation Of Uranium (Vi) Under Hydrothermal Conditions, Diwash Dhakal

MSU Graduate Theses

Rigorous study of the speciation distribution of uranyl-chloride bearing solutions under hydrothermal conditions is important to understand the transport mechanism of uranium underground, which is of uttermost interest to parties studying the geological uranium deposits and those studying the possibilities of geological repositories for spent nuclear waste. I report an in-situ Raman spectroscopic study of the speciation distribution of aqueous uranyl-chloride complexes upto 500°C conducted using a HDAC as the high PT spectroscopic cell. The samples studied contained the species UO₂²⁺, UO₂Cl⁺, UO₂Cl₂⁰ and UO₂Cl₃^{- …}

Nmr Characterizations Of Candidate Battery Electrolytes, Stephen A. Munoz

Dissertations, Theses, and Capstone Projects

Enormous strides have been made in next-generation power sources to build a more sustainable society. Energy storage has become a limiting factor in our progress, and there are huge environmental and financial incentives to find the next step forward in battery technology. This work discusses NMR methods for characterizing materials for use in battery application, with a special focus on relaxometry and diffusometry. Examples are provided of various recent investigations involving novel candidate electrolyte materials with different collaborators. Works discussed in this thesis include: the characterization of a new disruptive solid polymer electrolyte technology, investigations of the dynamics of super …

Photoelectrochemical Studies On Non-Noble Metal Based Catalysts Towards Tandem Solar Water Splitting, Arun Siddarth Sridhar

Dissertations

Photoelectrochemical (PEC) water splitting makes direct use of solar energy incident on semiconductor photoelectrodes, and it is a convenient, economic option to produce high purity hydrogen at low temperatures. The use of multiple light absorbers can increase overall solar energy utilization and provide a solution to the trade-off between overall band gap and band edge positioning of photoelectrodes specific to solar water oxidation and water reduction. The study of non-noble metal based catalysts for hydrogen evolution reaction (HER) and oxygen evolution reactions (OER) are essential for economic practical commercialization of photo-electrolyzers. This dissertation focuses on the use of a variety …

Lithium And The Foreseeable Future, Paolo Vargas

Mechanical Engineering Undergraduate Honors Theses

This paper aims to clarify the uncertainties regarding worldwide lithium resource availability in the years to come. Previous studies made on the subject are presented with some ambiguity and this work intends to fill the gaps. The information and data presented throughout this script with respect to global lithium resources and reserves are mostly based on data released by the United States Geological Survey (USGS). Lithium resource availability in the future is a point of paramount significance primarily for the automotive, portable electronics, and the power generation industry. Since, a change of supply would ultimately affect the price of lithium, …

Ultrafast Spectroscopy And Energy Transfer In An Organic/Inorganic Composite Of Zinc Oxide And Graphite Oxide, Jeff A. Secor

Dissertations, Theses, and Capstone Projects

The energy transfers and nature of defect levels of an organic/inorganic composite of Zinc Oxide and Graphite are studied with multidimensional spectroscopy. The edge and surface states of each composite are uncovered using excitation emission experiments showing which defect states are mediating the energy transfer from the metal oxide to the graphite oxide. Multidimensional time resolved spectroscopy further describes the effect of the carbon phase on the energy transfer pathways in the material.

Systematic Postsynthetic Modification Of Nanoporous Organic Frameworks And Their Performance Evaluation For Selective Co2 Capture, Timur Islamoglu

Theses and Dissertations

Porous organic polymers (POPs) with high physicochemical stability have attracted significant attention from the scientific community as promising platforms for small gas separation adsorbents. Although POPs have amorphous morphology in general, with the help of organic chemistry toolbox, ultrahigh surface area materials can be synthesized. In particular, nitrogen-rich POPs have been studied intensively due to their enhanced framework-CO₂ interactions. Postsynthetic modification (PSM) of POPs has been instrumental for incorporating different functional groups into the pores of POPs which would increase the CO₂ capture properties. We have shown that functionalizing the surface of POPs with nitro and amine groups …

Computational Study Of Passive Neutron Albedo Reactivity (Pnar) Measurement With Fission Chambers, Sandra De La Cruz

UNLV Theses, Dissertations, Professional Papers, and Capstones

The Passive Neutron Albedo Reactivity technique (PNAR) was used to assay used nuclear fuel as a potential method for the measurement of fissionable material in fuel assemblies. A Monte Carlo transport code (MCNPX 2.6) was used to develop simulation models to evaluate the PNAR technique. The MCNPX simulated models consisted of two 17x17 Pressurized Water Reactor (PWR) used fuel assemblies; one with an initial 3 wt% uranium-235*, cooled for 20 years and second with an initial 4 wt% uranium-235*, cooled for 5 years. Each used fuel assembly was simulated at four different burn up rates of 15, 30, 45, and …

Corrosion Of Steel By Lead Bismuth Eutectic, John Farley, Allen L. Johnson, Dale L. Perry

Transmutation Sciences Materials (TRP)

There is an active international interest in lead-bismuth eutectic and similar liquid lead systems because of the relevance to the transmutation of nuclear waste, fast reactors, and spallation neutron sources.

Materials in these systems must be able to tolerate high neutron fluxes, high temperatures, and chemical corrosion. For lead bismuth eutectic (LBE) systems, there is an additional challenge because the corrosive behaviors of materials in LBE are not well understood. Most of the available information on LBE systems has come from the Russians, who have over 80 reactor-years experience with LBE coolant in their Alpha-class submarine reactors. The Russians found …

Environment-Induced Degradation And Crack-Growth Studies Of Candidate Target Materials, Ajit K. Roy

Transmutation Sciences Materials (TRP)

The primary objective of this task was to evaluate the effects of environmental and mechanical parameters on environment induced degradations of candidate target structural materials for applications in spallation-neutron-target systems. The materials selected for evaluation and characterization were martensitic stainless steels including Alloys HT-9, EP-823, and 422.

Accelerator-driven transmutation systems involve bombarding a target material such as molten lead-bismuth-eutectic (LBE) by a proton beam, thereby producing neutrons. The molten LBE target will be contained in a subsystem structural container made of a suitable material such as Alloys HT-9, EP-823, and 422. During the transmutation process, the target structural material may …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The corrosion of structural materials is a major concern for the use of lead-bismuth eutectic (LBE) systems for nuclear applications such as in transmuter targets or fast reactors. Corrosion in liquid metal systems can occur through various processes, including, for example, dissolution, formation of inter-metallic compounds at the interface, and penetration of liquid metal along grain boundaries. Predicting the rate of these processes depends on numerous system operational factors: temperature, system geometry, thermal gradients, solid and liquid compositions, and velocity of the liquid metal, to name a few. Corrosion, along with mechanical and/or hydraulic factors, often contributes to component failure. …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Task V: Trp Final Report 09/01/2003-08/31/2004, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The Lead-Bismuth eutectic (LBE) has been determined from previous experimental studies by the Russians and the European scientific community to be a potential material that can be used as a spallation target and coolant for the TRP proposed application. Properly controlling the oxygen content in LBE can drastically reduce the LBE corrosion to structural steels. However, existing knowledge of material corrosion performance was obtained from point-wise testing with only very sparse experimental data. Scientists have noticed that the concentration of oxygen dissolved in the liquid alloy could control the corrosion rate of steels exposed to Pb or Pb-Bi. At high …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Task V: Fourth Quarterly Report 06/01/2004-08/31/2004, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The Lead-Bismuth eutectic (LBE) has been determined from previous experimental studies by the Russians and the European scientific community to be a potential material that can be used as a spallation target and coolant for the TRP proposed application. Properly controlling the oxygen content in LBE can drastically reduce the LBE corrosion to structural steels. However, existing knowledge of material corrosion performance was obtained from point-wise testing with only very sparse experimental data. Scientists have noticed that the concentration of oxygen dissolved in the liquid alloy could control the corrosion rate of steels exposed to Pb or Pb-Bi. At high …

Environment-Induced Degradation And Crack-Growth Studies Of Candidate Target Materials: Annual Progress Report (May 2003 – May 2004), Ajit K. Roy

Transmutation Sciences Materials (TRP)

As indicated in the original proposal, the primary objective of this task was to evaluate the effect of hydrogen on environment-assisted cracking of candidate target structural materials for applications in spallation-neutron-target (SNT) systems such as accelerator production of tritium (APT) and accelerator transmutation of waste (ATW). The materials selected for evaluation and characterization were martensitic stainless steels including Alloy EP 823, HT-9, and Type 422 stainless steel. The susceptibility to stress corrosion cracking (SCC) of these materials were evaluated in neutral and acidic aqueous environments using smooth and notched tensile specimens under constant-load (CL) and slow-strain-rate (SSR) conditions. Further, the …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Task V: Third Quarterly Report 03/01/2004-05/31/2004, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The Lead-Bismuth eutectic (LBE) has been determined from previous experimental studies by the Russians and the European scientific community to be a potential material that can be used as a spallation target and coolant for the TRP proposed application. Properly controlling the oxygen content in LBE can drastically reduce the LBE corrosion to structural steels. However, existing knowledge of material corrosion performance was obtained from point-wise testing with only very sparse experimental data. Scientists have noticed that the concentration of oxygen dissolved in the liquid alloy could control the corrosion rate of steels exposed to Pb or Pb-Bi. At high …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Task V: First Quarterly Report 01/12/04-02/29/04, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The Lead-Bismuth eutectic (LBE) has been determined from previous experimental studies by the Russians and the European scientific community to be a potential material that can be used as a spallation target and coolant for the TRP proposed application. Properly controlling the oxygen content in LBE can drastically reduce the LBE corrosion to structural steels. However, existing knowledge of material corrosion performance was obtained from point-wise testing with only very sparse experimental data. Scientists have noticed that the concentration of oxygen dissolved in the liquid alloy could control the corrosion rate of steels exposed to Pb or Pb-Bi. At high …

Corrosion Of Steel By Lead Bismuth Eutectic, John Farley, Allen L. Johnson, Dale L. Perry

Transmutation Sciences Materials (TRP)

There is an active international interest in lead-bismuth eutectic and similar liquid lead systems because of the relevance to the transmutation of nuclear waste, fast reactors, and spallation neutron sources. A successful program in nuclear waste processing that includes transmutation in accelerator-driven systems and fast reactors, would significantly decrease the space requirements for geological repositories.

Materials in these systems must be able to tolerate high neutron fluxes, high temperatures, and chemical corrosion. For lead bismuth eutectic (LBE) systems, there is an additional challenge because the corrosive behaviors of materials in LBE are not well understood. Most of the available information …

Environment-Induced Degradation And Crack-Growth Studies Of Candidate Target Materials, Ajit K. Roy

Transmutation Sciences Materials (TRP)

The primary objective of this task is to evaluate the effect of environmental and mechanical parameters on environment induced degradations of candidate target structural materials for applications in spallation-neutron-target systems, such as accelerator-driven systems for the transmutation of waste. The materials selected for evaluation and characterization are martensitic stainless steels including Alloys HT-9, EP-823 and Type 422 stainless steel (SS).

More recently, this experimental program has been expanded to evaluate the effect of molten lead-bismuth eutectic (LBE) on the corrosion behavior of target structural materials in the presence of oxygen. Since the Materials Performance Laboratory (MPL) at UNLV currently cannot …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The corrosion of structural materials is a major concern for the use of lead-bismuth eutectic (LBE) systems for nuclear applications such as in transmuter targets or fast reactors. Corrosion in liquid metal systems can occur through various processes, including, for example, dissolution, formation of inter-metallic compounds at the interface, and penetration of liquid metal along grain boundaries. Predicting the rate of these processes depends on numerous system operational factors: temperature, system geometry, thermal gradients, solid and liquid compositions, and velocity of the liquid metal, to name a few. Corrosion, along with mechanical and/or hydraulic factors, often contributes to component failure. …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Task V: Fourth Quarterly Report 09/01/2003-11/30/2003, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The Lead-Bismuth eutectic (LBE) has been determined from previous experimental studies by the Russians and the European scientific community to be a potential material that can be used as a spallation target and coolant for the TRP proposed application. Properly controlling the oxygen content in LBE can drastically reduce the LBE corrosion to structural steels. However, existing knowledge of material corrosion performance was obtained from point-wise testing with only very sparse experimental data. Scientists have noticed that the concentration of oxygen dissolved in the liquid alloy could control the corrosion rate of steels exposed to Pb or Pb-Bi. At high …

Environment-Induced Degradation And Crack-Growth Studies Of Candidate Target Materials: Quarterly Progress Report (June 1 – August 31, 2003), Ajit K. Roy, Brendan O'Toole

Transmutation Sciences Materials (TRP)

As indicated in the original proposal, the primary objective of this task is to evaluate the effect of hydrogen on environment-assisted cracking of candidate target materials for applications in spallationneutron- target (SNT) systems such as accelerator production of tritium (APT) and accelerator transmutation of waste (ATW). The materials selected for evaluation and characterization are martensitic stainless steels including Alloy HT-9, Alloy EP 823 and Type 422 stainless steel. The susceptibility to stress corrosion cracking (SCC) and hydrogen embrittlement (HE) of these materials are being evaluated in aqueous environments of interest using tensile specimens under constant load and slow-strain-rate (SSR) conditions. …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Task V: Fourth Quarterly Report 06/01/2003-08/30/2003, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The Lead-Bismuth eutectic (LBE) has been determined from previous experimental studies by the Russians and the European scientific community to be a potential material that can be used as a spallation target and coolant for the TRP proposed application. Properly controlling the oxygen content in LBE can drastically reduce the LBE corrosion to structural steels. However, existing knowledge of material corrosion performance was obtained from point-wise testing with only very sparse experimental data. Scientists have noticed that the concentration of oxygen dissolved in the liquid alloy could control the corrosion rate of steels exposed to Pb or Pb-Bi. At high …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Task V: Annual Report -Phase Ii 09/01/2002-08/30/2003, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The Lead-Bismuth eutectic (LBE) has been determined from previous experimental studies by the Russians and the European scientific community to be a potential material that can be used as a spallation target and coolant for the TRP proposed application. Properly controlling the oxygen content in LBE can drastically reduce the LBE corrosion to structural steels. However, existing knowledge of material corrosion performance was obtained from point-wise testing with only very sparse experimental data. Scientists have noticed that the concentration of oxygen dissolved in the liquid alloy could control the corrosion rate of steels exposed to Pb or Pb-Bi. At high …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics - Phase Three, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The proposed work will combine chemical kinetics and hydrodynamics in target and test-loop lead-bismuth eutectic (LBE) systems to model system corrosion effects. This approach will result in a predicative tool that can be validated with corrosion test data, used to systematically design tests and interpret the results, and provide guidance for optimization in LBE system designs. The task includes two subtasks. The first subtask is to try to develop the necessary predictive tools to be able to predict the levels of oxygen and corrosion products close to the boundary layer through the use of Computational Fluid Dynamics (CFD) modeling. The …

Environment-Induced Degradation And Crack-Growth Studies Of Candidate Target Materials: Annual Progress Report (May 2002 – May 2003), Ajit K. Roy, Brendan O'Toole

Transmutation Sciences Materials (TRP)

As indicated in the original proposal, the primary objective of this task is to evaluate the effect of hydrogen on environment-assisted cracking of candidate target materials for applications in spallationneutron- target (SNT) systems such as accelerator production of tritium (APT) and accelerator transmutation of waste (ATW). The materials selected for evaluation and characterization are martensitic stainless steels including Alloy HT-9, Alloy EP 823 and Type 422 stainless steel. The susceptibility to stress corrosion cracking (SCC) and hydrogen embrittlement (HE) of these materials are being evaluated in aqueous environments of interest using tensile specimens under constant load and slow-strain-rate (SSR) conditions. …