Date of Graduation
Spring 5-18-2024
Document Type
Thesis
Degree Name
Master of Science in Chemistry
College/School
College of Arts and Sciences
Department/Program
Chemistry
First Advisor
Giovanni Meloni, Ph.D.
Second Advisor
Amrita Bhattacharyya, Ph.D.
Third Advisor
Michael Stevenson, Ph.D.
Abstract
The work presented in this thesis focuses on gas-phase reactions, which are fundamental for reducing greenhouse gas emissions and mitigating climate change. The experiments are performed at the Advanced Light Source (ALS) of Lawrence Berkeley National Laboratory, where there is a time-of-flight mass spectrometer coupled with tunable synchrotron radiation at Beamline 9.0.2 to collect high-quality data.
Chapter 1 details the background and purpose of each project, along with an overview of the origins of synchrotron radiation and time-of-flight mass spectrometry. The adaptation of biofuels is a way to minimize carbon emission and air pollutants, so research surrounding the reaction dynamics of a potential biofuel with a common oxidant in a combustion engine is useful for engine modeling and fuel integration. Having an estimation of the carbon-chlorine photoionization cross section is essential for quantifying carcinogenic chlorinated compounds using mass spectrometry.
Chapter 2 provides a comprehensive examination of the components within the synchrotron, time-of-flight mass spectrometer, and reaction apparatus used in oxidation experiments. A brief background in quantum mechanics, namely how the Schrodinger Equation is solved using the CBS-QB3 computational method, is given in Chapter 3. Additionally, this chapter provides an overview of the how the three-dimensional data block collected from the ALS is analyzed, and the theory behind photoionization.
The thesis concludes with two research projects: (1) the investigation of potential biofuel 2,3-dimethylfuran, oxidized by ground state atomic oxygen in chapter 4, and (2) the estimate of the photoionization cross section of the carbon-chlorine bond at 11 eV, along with the absolute photoionization cross sections of various organochlorine compounds in chapter 5.
Recommended Citation
Chen, Yilan Lori, "The Investigation of the Reaction of 2,3-Dimethylfuran With O(³P) and the Estimate of the Photoionization Cross Section of C-Cl and Absolute Photoionization Cross Sections of Chlorinated Organic Compounds" (2024). Master's Theses. 1588.
https://repository.usfca.edu/thes/1588
Included in
Analytical Chemistry Commons, Computational Chemistry Commons, Physical Chemistry Commons
