The low temperature (298 – 700 K) oxidation characterizations of a series of fuel additives (ETBE and isooctane) were studied at advanced light source in Lawrence Berkley National lab, using a multiplexed chemical kinetics photoionization mass spectrometer with tunable synchrotron radiation. Using Cl atoms as initiators in presence of oxygen, photoionization data were collected. Data analysis was performed via characterization of the reaction species photoionization spectra and kinetic traces, from which the products and also the intermediates were identified. Relevant reaction dynamics on potential energy surfaces were calculated, reaction enthalpies of each individual step were presented using the CBS-QB3 composite model, and reaction pathways were proposed.
","abstract_html":"<p>The low temperature (298 – 700 K) oxidation characterizations of a series of fuel additives (ETBE and isooctane) were studied at advanced light source in Lawrence Berkley National lab, using a multiplexed chemical kinetics photoionization mass spectrometer with tunable synchrotron radiation. Using Cl atoms as initiators in presence of oxygen, photoionization data were collected. Data analysis was performed via characterization of the reaction species photoionization spectra and kinetic traces, from which the products and also the intermediates were identified. Relevant reaction dynamics on potential energy surfaces were calculated, reaction enthalpies of each individual step were presented using the CBS-QB3 composite model, and reaction pathways were proposed.</p>","abstract_has_math":false,"creators":["yao, rong"],"institution":null,"degree_name":"Master of Science in Chemistry","degree_level":"Thesis","degree_discipline":"Chemistry","degree_department":null,"school":null,"contributors":["Giovanni Meloni"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2016,"date_issued":"2016-08-01T07:00:00Z","date_published":"2016-08-01T07:00:00Z","updated_at":"2026-07-24T05:43:40Z","subjects":["photoionization","biofuel","potential energy surfaces","Physical Chemistry"],"languages":[],"rights":[],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"https://repository.usfca.edu/thes/188","outbound_label":"Repository record","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Giovanni Meloni"]},{"key":"dc:creator","label":"Author","values":["yao, rong"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.available","label":"Dc Date Available","values":["2016-07-26T07:00:00Z"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemistry"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Thesis"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Master of Science in Chemistry"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["photoionization","biofuel","potential energy surfaces","Physical Chemistry"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["https://repository.usfca.edu/thes/188"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["The low temperature (298 – 700 K) oxidation characterizations of a series of fuel additives (ETBE and isooctane) were studied at advanced light source in Lawrence Berkley National lab, using a multiplexed chemical kinetics photoionization mass spectrometer with tunable synchrotron radiation. Using Cl atoms as initiators in presence of oxygen, photoionization data were collected. Data analysis was performed via characterization of the reaction species photoionization spectra and kinetic traces, from which the products and also the intermediates were identified. Relevant reaction dynamics on potential energy surfaces were calculated, reaction enthalpies of each individual step were presented using the CBS-QB3 composite model, and reaction pathways were proposed.
"]},{"key":"dc:title","label":"Title","values":["Characterization of ETBE + Cl and Isooctane + Cl Combustion Products using Synchrotron Photoionization"]}]}],"canonical_facts":{"dc:contributor":["Giovanni Meloni"],"dc:creator":["yao, rong"],"dc:date.available":["2016-07-26T07:00:00Z"],"dc:description.abstract":["The low temperature (298 – 700 K) oxidation characterizations of a series of fuel additives (ETBE and isooctane) were studied at advanced light source in Lawrence Berkley National lab, using a multiplexed chemical kinetics photoionization mass spectrometer with tunable synchrotron radiation. Using Cl atoms as initiators in presence of oxygen, photoionization data were collected. Data analysis was performed via characterization of the reaction species photoionization spectra and kinetic traces, from which the products and also the intermediates were identified. Relevant reaction dynamics on potential energy surfaces were calculated, reaction enthalpies of each individual step were presented using the CBS-QB3 composite model, and reaction pathways were proposed.
"],"dc:identifier":["https://repository.usfca.edu/thes/188"],"dc:subject":["photoionization","biofuel","potential energy surfaces","Physical Chemistry"],"dc:title":["Characterization of ETBE + Cl and Isooctane + Cl Combustion Products using Synchrotron Photoionization"],"thesis:degree_discipline":["Chemistry"],"thesis:degree_level":["Thesis"],"thesis:degree_name":["Master of Science in Chemistry"]},"updated_at":"2026-07-24T05:43:40Z"}