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Full-Text Articles in Physical Sciences and Mathematics
Development Of Standard Operating Procedure With Modified Method To Quantify Benzene And Other Volatile Organic Compounds In Air Samples Using Gas Chromatography, Heather Hall
Electronic Theses and Dissertations
Stephen F. Austin State University (SFASU) Department of Environmental Science has recently invested in a gas chromatograph which can be used to analyze air samples for volatile organic compounds (VOCs) such as benzene, toluene, ethylbenzene, and xylenes (BTEX). The goal of this project was to develop a standard operating procedure (SOP) and modify the current method for the detection of VOCs associated with oil and gas drilling activity to accommodate the equipment and capabilities of SFASU Environmental Assessment Lab. This study aims to provide the framework for future research in air quality monitoring in the Eagle Ford Shale area. An …
Theoretical Examination Of Solvent And R Group Dependence In Gold Thiolate Nanoparticle Synthesis, Suzanne M. Neidhart, Brian M. Barngrover, Christine M. Aikens
Theoretical Examination Of Solvent And R Group Dependence In Gold Thiolate Nanoparticle Synthesis, Suzanne M. Neidhart, Brian M. Barngrover, Christine M. Aikens
Faculty Publications
The growth of gold thiolate nanoparticles can be affected by the solvent and the R group on the ligand. In this work, the difference between methanol and benzene solvents as well as the effect of alkyl (methyl) and aromatic (phenyl) thiols on the reaction energies and barrier heights is investigated theoretically. Density functional theory (DFT) calculations using the BP86 functional and a triple ζ polarized basis set show that the overall reaction favors methylthiol over phenylthiol with reaction energies of −0.54 and −0.39 eV in methanol, respectively. At the same level of theory, the methanol solvent is favored over the …
Prediction Of Nonradical Au (0)-Containing Precursors In Nanoparticle Growth Processes, Brian M. Barngrover, Timothy J. Manges, Christine M. Aikens
Prediction Of Nonradical Au (0)-Containing Precursors In Nanoparticle Growth Processes, Brian M. Barngrover, Timothy J. Manges, Christine M. Aikens
Faculty Publications
This density functional theory (DFT) investigation examines the formation of nonradical Au(0) species from the reduction of Au(I) species. The Au(I) complexes of interest are AuCl2–, AuBr2–, AuI2–, AuClPH3, and AuCl(H)SCH3(−), which are precursors for gold nanoparticle and cluster formation. Reaction of two of the Au(I) species with a hydride results in ejection of two of the ligands and formation of Au2 with two ligands still attached. AuX2– (where X = Cl, Br, or I) reactions eject two halides and form Au2 …