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Full-Text Articles in Physical Sciences and Mathematics

Oxidation Of Dibenzothiophene To Dibenzothiophene-Sufone Using A Molybdenum (Vi) Oxide Catalyst: A Kinetic Study Testing Solvent Dependency And Mole Ratio Efficiency, Tomas Trevino Jr. Dec 2017

Oxidation Of Dibenzothiophene To Dibenzothiophene-Sufone Using A Molybdenum (Vi) Oxide Catalyst: A Kinetic Study Testing Solvent Dependency And Mole Ratio Efficiency, Tomas Trevino Jr.

Theses and Dissertations

Oxidative desulfurization (ODS) is currently a solution to hydrodesulphurization. Currently, industrial usage of hydrodesulphurization (HDS) is the common source for petroleum purification. Unfortunately, HDS comes with environmental and economical ramifications. Due to the problems and potential hazards being presented with HDS, ODS has become a topic of interest in research development. A kinetic study using molybdenum (VI) oxide as a catalyst was used in oxidative desulfurization. Factors such as mole ratio and solvent dependency were tested for efficiency. As activation energy was calculated to show maximum efficiency with respect to temperature and concentration. Gas Chromatography, FT-IR, and Mass Spectroscopy were …


Remediation Of Lead And Copper Ions From Water Solutions Using Transition Metal Sulfides, Jesus M. Cantu Jr. Dec 2017

Remediation Of Lead And Copper Ions From Water Solutions Using Transition Metal Sulfides, Jesus M. Cantu Jr.

Theses and Dissertations

Heavy metal contamination in water solutions has been a major concern since many transition metals don’t play a role in any biological function and are actually detrimental to human health. There have been several techniques that have been implemented for the remediation of heavy metal contaminants. For this project, three metal sulfides—Fe7S8, ZnS, TiS 2—were synthesized and studied for their capabilities to remove Pb(II) and Cu(II) from water solutions. Several parameters were investigated to determine the effects of pH, time, temperature, binding capacities, and interfering ions. The room temperature adsorption capacities ranged 6.23–333.3 mg/g for Pb(II) and 1.31–250 mg/g for …


Remediation Of Trivalent And Hexavalent Chromium Ions From Aqueous Solutions Using Titanium Dioxide Polymorphs, Yvette Cantu Dec 2017

Remediation Of Trivalent And Hexavalent Chromium Ions From Aqueous Solutions Using Titanium Dioxide Polymorphs, Yvette Cantu

Theses and Dissertations

Three titanium dioxide (TiO2) polymorphs were synthesized and used for the removal of chromium (III) and chromium (VI) from aqueous solutions. Various solution parameters were studied to determine the effects of pH, temperature, time, possible interfering ions, and capacities on the binding of Cr(III) and Cr(VI) to all three polymorphs. pH assays determined the optimum pH for the binding of both Cr(III) and Cr(VI) to each polymorph. Adsorption isotherms determined that the adsorption of Cr(III) was non-spontaneous for the three polymorphs with ΔG values ranging from 6.03 to 12.89 kJ/mol. Furthermore, the binding of Cr(VI) to anatase was also non-spontaneous …


Thermochemistry Of Fluorinated Aldehydes And Corresponding Radicals;Thermochemistry And Kinetics Of Diethyl Ether And Ethyl Oxirane Relative To Reactions Under Atmospheric And Combustion Conditions, Douglas Lee Purnell Jr. Oct 2017

Thermochemistry Of Fluorinated Aldehydes And Corresponding Radicals;Thermochemistry And Kinetics Of Diethyl Ether And Ethyl Oxirane Relative To Reactions Under Atmospheric And Combustion Conditions, Douglas Lee Purnell Jr.

Dissertations

Fundamental thermochemical properties including enthalpies (ΔH°f 298), entropies (S°(T)), heat capacities (Cp(T)), and bond dissociation energies (BDEs) for several common and complex hydrocarbon fuel species are determined using computational chemical methods. ΔH°f 298 values are calculated using isodesmic reactions with the CBS-APNO, CBS-4M, CBS-QB3, G2, G3, G4, Weizmann-1 (W1U) and M06-2X, ωB97X, B3-LYP with basis set 6-31G+ (d,p) and 6-31G++(d,p) calculation methods. Structures, moments of inertia, vibrational frequencies, and internal rotor potentials are calculated for contributions to entropies and heat capacities. Kinetic rate parameters are calculated for hydrogen abstraction and …


Theoretical Study Of Ozone Forming Recombination Reaction And Anomalous Isotope Effect Associated With It, Alexander Teplukhin Apr 2017

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. …