Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
- Institution
-
- West Virginia University (2)
- Central Washington University (1)
- Chinese Chemical Society | Xiamen University (1)
- Florida International University (1)
- Georgia College (1)
-
- Louisiana Tech University (1)
- Marquette University (1)
- Michigan Technological University (1)
- Mississippi State University (1)
- New Jersey Institute of Technology (1)
- State University of New York College at Buffalo - Buffalo State College (1)
- The University of San Francisco (1)
- University of Nebraska - Lincoln (1)
- University of Nebraska Medical Center (1)
- Utah State University (1)
- Western University (1)
- Wilfrid Laurier University (1)
- Publication Year
- Publication
-
- Graduate Theses, Dissertations, and Problem Reports (2)
- All Graduate Theses and Dissertations, Spring 1920 to Summer 2023 (1)
- All Master's Theses (1)
- Department of Chemistry: Dissertations, Theses, and Student Research (1)
- Dissertations (1)
-
- Dissertations (1934 -) (1)
- Dissertations, Master's Theses and Master's Reports - Open (1)
- Doctoral Dissertations (1)
- Electronic Thesis and Dissertation Repository (1)
- FIU Electronic Theses and Dissertations (1)
- Featured Student Work (1)
- Georgia College Student Research Events (1)
- Journal of Electrochemistry (1)
- Multidisciplinary Studies Theses (1)
- Theses & Dissertations (1)
- Theses and Dissertations (1)
- Theses and Dissertations (Comprehensive) (1)
- Publication Type
Articles 1 - 18 of 18
Full-Text Articles in Physical Sciences and Mathematics
Contributions Of Tunneling In 8Π-6Π Electrocyclic Cascade Reactions Of Bicyclo[4.2.0]Octa-2,4-Diene Moieties, Ishika Jain, Claire Castro, William L. Karney
Contributions Of Tunneling In 8Π-6Π Electrocyclic Cascade Reactions Of Bicyclo[4.2.0]Octa-2,4-Diene Moieties, Ishika Jain, Claire Castro, William L. Karney
Featured Student Work
Six-electron electrocyclic reactions usually require relatively high temperatures; however recent research has shown that such reactions can occur at significantly lower temperatures in biosynthetic and biomimetic pathways. Pathways resulting in bicyclo[4.2.0]octa-2,4-diene moieties arise from thermally allowed 8π-6π electrocyclization cascade reactions of 1,3,5,7-octatetraenes, as in the biosynthesis of endiandric acids, elysiapyrones, and numerous other natural products. We report multidimensional tunneling calculations to explore the possible contribution of heavy-atom tunneling (e.g. by carbon) to biosynthetic pathways and biomimetic syntheses, and thus to provide a more complete picture of biochemical kinetics. M06-2X/cc-pVDZ calculations on the 8π-6π cascade cyclizations of methylated octatetraene model systems …
V-Shaped Temperature Dependences And Pressure Dependence Of Elementary Reactions Of Hydroxyl Radicals With Several Organophosphorus Compounds, Xiaokai Zhang
Dissertations
Organophosphorus compounds have brought increasing attention since they are widely used as flame-retardants, which can take effect in combustion via reactions with reactive radicals. These reactions are influenced by variables such as temperature and pressure, resulting in a temperature and pressure dependent rate constant. Studying this reaction kinetics has great importance in both combustion reaction and atmospheric environment.
This study is focused on kinetics of several elementary reactions of combustion importance. The kinetics of hydroxyl radicals were studied using pulsed laser photolysis coupled to transient UV-vis absorption spectroscopy over the 295 - 837 K temperature range and the 1 - …
Halide Exchange And Transport In Halide Perovskite Lattices, Temban Acha Billy
Halide Exchange And Transport In Halide Perovskite Lattices, Temban Acha Billy
Department of Chemistry: Dissertations, Theses, and Student Research
In recent years, metal-halide perovskites (MHPs) have risen quickly to prominence as promising materials across a variety of fields, from photovoltaics to optoelectronics in general. We show here a facile solution growth for creating a variety of mixed halide MAPbBr3-xIx crystals, which we will use to study halide exchange and transport in halide perovskites. We generated a calibration curve between the optical response and chemical composition in mixed Br/I MHPs at room temperature. All mixed Br/I MHP crystals were subjected to measurements of photoluminescence (PL) and Raman spectroscopy. A subset of mixed-halide MHP crystals exhibited multiple emission …
Molecular Insights Into The Redox Of Atmospheric Mercury Through Laser Spectroscopy, Rongrong Wu Cohen
Molecular Insights Into The Redox Of Atmospheric Mercury Through Laser Spectroscopy, Rongrong Wu Cohen
Theses and Dissertations
The widespread pollution of mercury motivates research into its atmospheric chemistry and transport. Gaseous elemental mercury (Hg(0)) dominates mercury emission to the atmosphere, but the rate of its oxidation to mercury compound (Hg(II)) plays a significant role in controlling where and when mercury deposits to ecosystems. Atomic bromine is regarded as the main oxidant for Hg(0) oxidation, known to initiate the oxidation via a two-step process in the atmosphere – formation of BrHg (R1) and subsequent reactions of BrHg with abundant free radicals Y, i.e., NO2, HOO, etc. (R2), where the reaction of BrHg +Y could also lead to the …
Study Of Resonantly Stabilized Radicals In Combustion Environments, James H. Lee
Study Of Resonantly Stabilized Radicals In Combustion Environments, James H. Lee
Graduate Theses, Dissertations, and Problem Reports
Resonantly stabilized radicals (RSRs) play an important role in combustion environments due to their high stability resulting from resonance. Many RSRs such as the propargyl, allyl, or benzyl radicals are precursors to the formation of polycyclic aromatic hydrocarbons (PAHs), which can aggregate to form soot. Due to their stability, these RSRs can accumulate in combustion environments in significant quantities. The primary way these radical species are consumed in flames or by reactions with other abundant radicals, by self-recombination of propargyl to form benzene, or in the form of other abundant radicals such as the hydroxyl radical. Experimentally determining the pathways …
Experimental And Modeling Investigation Of The Oh-Initiated Oxidation Of Semi-Solid And Aqueous Saccharide Aerosols, Hanyu Fan
Graduate Theses, Dissertations, and Problem Reports
My research focuses on investigating the impact of moisture-induced and oligomer-induced viscosity changes on OH-initiated oxidation of semi-solid aerosols,and the role of gas-liquid interfaces in regulating aqueous aerosol chemistry. Saccharides, which are a major constituent of aqueous atmospheric aerosols, are chosen as model molecules to form highly oxygenated organic aerosols. The experiments are performed using an atmospheric pressure flow-tube reactor with both online VUV-AMS (Vacuum-Ultraviolet Aerosol Mass Spectrometer) and offline GC-MS analysis techniques. The decay rates of saccharide are determined by measuring the loss signal of saccharide in the particle phase as a function of OH exposure (time-integrated total concentration …
Analyzing The Kinetics Of A Bromophenol Blue Fading Reaction In Basic Conditions For An Undergraduate Lab, Zeljka Popovic
Analyzing The Kinetics Of A Bromophenol Blue Fading Reaction In Basic Conditions For An Undergraduate Lab, Zeljka Popovic
Georgia College Student Research Events
Bromophenol blue is a common pH indicator and dye used in many different industries. Once a solution of bromophenol blue is placed in a concentrated basic solution, the color fades from a blue/violet color to clear solution with a pH of 4.6 or greater. The rate law of the reaction is analyzed through the use of a small footprint visible-near-infrared spectrometer (Vis-NIR) with a diode array detector. An absorbance wavelength of 590 nm as a function of time was collected using Ocean Optics OceanView software. The results contained in the data collection file are exported to a spreadsheet for further …
Theoretical Study Of Ozone Forming Recombination Reaction And Anomalous Isotope Effect Associated With It, Alexander Teplukhin
Theoretical Study Of Ozone Forming Recombination Reaction And Anomalous Isotope Effect Associated With It, Alexander Teplukhin
Dissertations (1934 -)
The ozone forming recombination reaction stands out among many chemical processes that take place in the atmosphere. This reaction is responsible for the reconstruction of ozone layer, which protects life on Earth from harmful ultra-violate radiation and is a source of so-called anomalous isotope effect in ozone. The reaction was intensively studied, but at a very basic level. There were only couple of papers where the recombination rate coefficient was computed and found to roughly agree with the experimental data. In this dissertation, the recombination process in ozone is approached using new and efficient method, which includes several modern techniques. …
Kinetics And Reaction Mechanisms For Methylidyne Radical Reactions With Small Hydrocarbons, Joao Marcelo Lamim Ribeiro
Kinetics And Reaction Mechanisms For Methylidyne Radical Reactions With Small Hydrocarbons, Joao Marcelo Lamim Ribeiro
FIU Electronic Theses and Dissertations
The chemical evolution with respect to time of complex macroscopic mixtures such as interstellar clouds and Titan’s atmosphere is governed via a mutual competition between thousands of simultaneous processes, including thousands of chemical reactions. Chemical kinetic modeling, which attempts to understand their macroscopic observables as well as their overall reaction mechanism through a detailed understanding of their microscopic reactions and processes, thus require thousands of rate coefficients and product distributions. At present, however, just a small fraction of these have been well-studied and measured; in addition, at the relevant low temperatures, such information becomes even more scarce. Due to the …
Stability And Kinetics Of Dna Pseudoknots: Formation Of T∗A•T Base-Triplets And Their Targeting Reactions, Calliste Steffensmeier
Stability And Kinetics Of Dna Pseudoknots: Formation Of T∗A•T Base-Triplets And Their Targeting Reactions, Calliste Steffensmeier
Theses & Dissertations
Pseudoknots have been found to play important roles in the biology of RNA. These stem-loop motifs are considered to be very compact and the targeting of their loops with complementary strands is accompanied with lower favorable free energy terms. We used a combination of spectroscopic (UV, CD and fluorescence), calorimetric (DSC, PPC and ITC) and kinetic (SPR) techniques to investigate: 1) Local base-triplet formation in pseudoknots; 2) energetic contributions for the association of pseudoknots with their complementary strands; and 3) the kinetic rates as a function of targeting strand length.
We investigated a set of DNA pseudoknots with sequence: d(TCTCT …
Determination Of Kinetic Parameters Of Equilibrium Peracetic Acid And Hydrogen Peroxide To Calculate Self-Accelerating Decomposition, Ricky Mittiga
Determination Of Kinetic Parameters Of Equilibrium Peracetic Acid And Hydrogen Peroxide To Calculate Self-Accelerating Decomposition, Ricky Mittiga
Multidisciplinary Studies Theses
Determination of Kinetic Parameters of Equilibrium Peracetic Acid and Hydrogen Peroxide to Calculate Self-Accelerating Decomposition Temperature
Peracetic acid is a simple molecule that works as a powerful oxidant in many applications including food safety and water disinfection. The synthesis of the compound is fairly well understood due to its straightforward synthesis by mixing acetic acid and hydrogen peroxide. However, the decomposition of the compound has not been well studied. Few sources are available to provide kinetic data for the decomposition along with data that shows when the compound will undergo a self-accelerated decomposition that could lead to disastrous effects.
This …
Kinetic Decay Of A Polymer/Ink Complex As An O2 Indicator, Becca Hoene
Kinetic Decay Of A Polymer/Ink Complex As An O2 Indicator, Becca Hoene
All Master's Theses
Indicator inks are an important part of the continued consumption of packaged goods. This thesis is focused on understanding the kinetics and reaction mechanism for a unique indicator ink that is based upon the oxidation of indigotetrasulfonate (ITS) encapsulated in the polyelectrolyte poly(diallyldimethylammonium chloride) (polyDADMAC). Sodium bisulfite (NaHSO3) was used as the initial oxygen scavenger and to drive the reduction of the ITS. Studies were predominantly done in solution phase through the dilution of the ink systems. Fluorescence spectroscopy was the primary method used to determine the kinetic decay rates and interaction between the ITS dye molecules and …
The Influence Of Long-Term Gamma-Radiation And Initially Dissolved Chemicals On Aqueous Kinetics And Interfacial Processes, Pamela A. Yakabuskie
The Influence Of Long-Term Gamma-Radiation And Initially Dissolved Chemicals On Aqueous Kinetics And Interfacial Processes, Pamela A. Yakabuskie
Electronic Thesis and Dissertation Repository
This thesis presents work focusing on the long-term effect of gamma-radiation on aqueous solution kinetics. Ionizing radiation drives the decomposition of water to form both oxidizing (•OH, O2, H2O2) and reducing (•eaq−, •O2−, •H, H2) chemical species. Over time, these radiolysis products can react with dissolved solutes and participate in interfacial reactions. This can lead to significant changes in the eventual solution redox condition, and gas phase composition, and in certain cases result in the formation of solid species. Understanding the long-term solution kinetics for radiolysis …
Properties And Structures Of Li-N Based Hydrogen Storage Materials, Junqing Zhang
Properties And Structures Of Li-N Based Hydrogen Storage Materials, Junqing Zhang
Dissertations, Master's Theses and Master's Reports - Open
Traditional transportation fuel, petroleum, is limited and nonrenewable, and it also causes pollutions. Hydrogen is considered one of the best alternative fuels for transportation. The key issue for using hydrogen as fuel for transportation is hydrogen storage. Lithium nitride (Li3N) is an important material which can be used for hydrogen storage. The decompositions of lithium amide (LiNH2) and lithium imide (Li2NH) are important steps for hydrogen storage in Li3N. The effect of anions (e.g. Cl-) on the decomposition of LiNH2 has never been studied. Li3N can react with LiBr to form lithium nitride bromide Li13N4Br which has been proposed as …
The Kinetics And Mechanisms Of Some Fundamental Organic Reactions Of Nitro Compounds, Zhao Li
The Kinetics And Mechanisms Of Some Fundamental Organic Reactions Of Nitro Compounds, Zhao Li
All Graduate Theses and Dissertations, Spring 1920 to Summer 2023
In chemistry, kinetics is the study of the rates of chemical reactions. A reaction mechanism describes in detail exactly what takes place at each stage of an overall chemical reaction from reactants to products. The work outlined in this dissertation was carried out in order to find out the true mechanisms of some fundamental organic reactions of nitro compounds by means of a series of novel kinetic techniques and analysis methods.
The target reactions include (1) the proton transfer reactions of nitroalkanes and (2) the aromatic nucleophilic reactions of trinitroarenes, both of which are undeniably among the most elementary and …
Atr-Ftir Studies On The Kinetics Of Dimethylarsinic Acid (Dma) Surface Complexation With Iron(Oxyhydr)Oxides, Julia Tofan-Lazar Miss
Atr-Ftir Studies On The Kinetics Of Dimethylarsinic Acid (Dma) Surface Complexation With Iron(Oxyhydr)Oxides, Julia Tofan-Lazar Miss
Theses and Dissertations (Comprehensive)
Dimethylarsinic acid (DMA) is an organoarsenical compound that, along with monomethylarsonic acid, poses a health and an environmental risk, and a challenge to the energy industry. Little is known about the surface chemistry of DMA at the molecular level with materials relevant to geochemical environments and industrial sectors. The surface chemistry of phosphorus and arsenic compounds in their organic and inorganic forms is of great interest due to its role in controlling their transport, bioaccessibility and speciation. This thesis reports the first in-situ and surface-sensitive rapid kinetic studies on the adsorption and desorption of DMA to and from Fe-(oxyhydr)oxide films …
Computational Study Of Pristine And Titanium-Doped Sodium Alanates For Hydrogen Storage Applications, Gopi Krishna Phani Dathar
Computational Study Of Pristine And Titanium-Doped Sodium Alanates For Hydrogen Storage Applications, Gopi Krishna Phani Dathar
Doctoral Dissertations
The emphasis of this research is to study and elucidate the underlying mechanisms of reversible hydrogen storage in pristine and Ti-doped sodium aluminum hydrides using molecular modeling techniques. An early breakthrough in using complex metal hydrides as hydrogen storage materials is from the research on sodium alanates by Bogdanovic et al., in 1997 reporting reversible hydrogen storage is possible at moderate temperatures and pressures in transition metal doped sodium alanates. Anton reported titanium salts as the best catalysts compared to all other transition metal salts from his further research on transition metal doped sodium alanates. However, a few questions remained …
Synthesis Of The Lifepo_4 By Co Reduction:Reaction Mechanism And Kinetics, Yun-Hua Chen, Yong Yang
Synthesis Of The Lifepo_4 By Co Reduction:Reaction Mechanism And Kinetics, Yun-Hua Chen, Yong Yang
Journal of Electrochemistry
LiFePO4 cathode material was synthesized by CO reducing FePO4 and LiOH precursors.The structure,morphology and electrochemical performances of such LiFePO4 material were characterized by XRD,SEM and charge-discharge tests.It was shown that the particle size of the LiFePO4 synthesized with 5% excess of LiOH in the precursor was about 200 nm.By carbon coating,the LiFePO4 electrode was able to deliver a reversible capacity of 158 mAh·g-1 at 0.1C discharge rate.Temperature-programmed X-ray diffraction was employed to monitor the reaction during the formation of LiFePO4,and Li3Fe2(PO4)3 was found to be an intermediate by analyzing the time-resolved XRD patterns.Kinetic study indicates that nucleation and their growth …