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Full-Text Articles in Physical Sciences and Mathematics
Spectroscopic Analysis Of Potential Astromolecules Via Quantum Chemical Quartic Force Fields, Mason Gardner
Spectroscopic Analysis Of Potential Astromolecules Via Quantum Chemical Quartic Force Fields, Mason Gardner
Honors Theses
Astrochemistry has been substantially aided by computational techniques, particularly through the use of Quartic Force Field (QFF) analysis. Several methods have proven useful at correlating computed spectroscopic data with experimental observations. The F12-TZ QFF correlated well with experimental data for silicon oxide compounds, particularly those potentially involved in development from rocky bodies to planetary masses [27]. Compared to argon matrix experimental data, the vibrational frequencies for the molecules SiO2, SiO3, Si2O3, and Si2O4 become less accurate as the complexity of the molecules increases but should still be predictive of infrared characteristics of silicon oxides as they form clusters in space …
Analysis Of Atmospheric Aerosols Collected In An Urban Area In Upstate Ny Using Proton Induced X-Ray Emission (Pixe) Spectroscopy, Jeremy Smith
Honors Theses
We have performed a PIXE analysis of atmospheric aerosol samples collected in Schenectady, NY, to study airborne pollution in an urban environment. The samples were collected using a PIXE International, 9-stage, cascade impactor that separates the airborne particles according to aerodynamic diameter and deposits them on thin Kapton foils. The impacted foils were bombarded with 2.2-MeV proton beams from the Union College 1.1-MV Pelletron accelerator and the emitted X-rays were detected with an Amptek silicon drift detector. The X-ray energy spectra were analyzed using GUPIX software to determine the elemental concentrations in the samples. A broad range of elements from …
Mechanical Routes To Biocontinuous Conductive Polymer Networks For Solar Cell Applications, Erin Waterman
Mechanical Routes To Biocontinuous Conductive Polymer Networks For Solar Cell Applications, Erin Waterman
Honors Theses
We have successfully created the first example of a bicontinuous conductive polymer network for use in hybrid QD-polymer solar cells via a mechanochemical route. Heterometallic dicyanoaurate coordination polymers were used as intercalative hosts to promote in situ growth of emeraldine polyaniline (PANI), which provides electron conduction pathways within the active layer. Cu2+-excanged Laponite RD nanodiscs were used to direct the self-assembly of the bicontinuous polymer networks and nanomorphology within the nanocomposites. These PANI/Laponite coordination polymers were extensively characterized by scanning electron microscopy, attenuated total reflectance-Fourier transform infrared spectroscopy, and ultraviolet-visible absorption spectroscopy in order to probe polymer-nanoparticle and polymer-polymer interactions. …
A Comparative Study Of Gupix And Geopixe Software In The Analysis Of Pixe Spectra Of Aerosol Samples, Sean Collison
A Comparative Study Of Gupix And Geopixe Software In The Analysis Of Pixe Spectra Of Aerosol Samples, Sean Collison
Honors Theses
Proton-induced X-ray emission (PIXE) spectroscopy is a powerful tool used in the Union College Ion-Beam Analysis Laboratory for the elemental analysis of environmental pollution. Samples are bombarded with proton beams from the 1.1‐MV Pelletron accelerator and characteristic X-rays emitted from the samples are detected, resulting in X-ray energy spectra. These spectra are analyzed using software packages that fit the data and calculate the concentrations of elements in the samples. I have performed a comparative study of two of the most popular software packages, GUPIX and GeoPIXE, in the analysis of atmospheric aerosol samples to assess the strengths and weaknesses of …
Vibrational Spectroscopic Monitoring Of Co2-O Energy Transfer: Cooling Processes In Atmospheres Of Venus & Mars, Jakob Aaron Schaeffer
Vibrational Spectroscopic Monitoring Of Co2-O Energy Transfer: Cooling Processes In Atmospheres Of Venus & Mars, Jakob Aaron Schaeffer
Honors Theses
The vibrational excitation of CO2 by a fast-moving O atom followed by infrared emission from the vibrationally excited CO2 has been shown to be an important cooling mechanism in the upper atmospheresof Venus, Earth and Mars. We are trying to determine more precisely the efficiency (rate coefficient) of the CO2-O vibrational energy transfer. For experimental ease the reverse reaction is used, i.e. collision of a vibrationally excited CO2 with atomic O, where we are able to convert to the atmospherically relevant reaction via a known equilibrium constant. The goal of this experiment was to measure the magnitudes of rate coefficients …