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Reports: UR656067-UR6: iPEPICO Investigations of High-Energy Density Fuels

Giovanni Meloni, PhD, University of San Francisco

During the September 1, 2016 – August 31, 2017 period we were successful in carrying out experiments, collecting data for several systems at the Swiss Light Source (SLS) in Switzerland., and continue some experiments at the Advanced Light Source (ALS) of Lawrence Berkeley National Laboratory.

Using a photoelectron photoion coincidence (PEPICO) spectrometer, a graduate student collected data for furfural and we published a paper: “Furfural: The Unimolecular Dissociative Photoionization Mechanism of the Simplest Furanic Aldehyde,” Matthew Winfough (graduate student), Krisztina Voronova, Giel Muller (graduate student), Gabrielle Laguisma (undergraduate student), Balint Sztaray, Andras Bodi, and Giovanni Meloni,* J. Phys. Chem. A 121, 3401-3410 (2017). The undergraduate was involved in this project in the past before the final data were collected last January-February. Other systems are currently under analysis and we should start writing the corresponding manuscripts by the end of this year. This international experience for my students is priceless and made possible only thanks to this grant.

Two graduate MS Chemistry students and one Chemistry undergraduate were supported during summer 2017 with stipends. One of the Physics major is a Chemistry minor, and the other one is a Chemical Physics minor. The undergraduates worked for a 10-week period. In addition, two MS students had the financial support to travel to the SLS in Villigen, Switzerland to carry out experiments.

I have been highly motivated in engaging undergraduate students in my research program. Even though they perform experiments and are actively involved in the data analysis, undergraduates do not possess the in-depth knowledge required to put results in context. Therefore, I feel that working with undergraduates is truly a service to the department and the society, in general, making them more aware of how research can change our world.

From our experiments seven posters were presented at several venues:

  • “Photoionization Cross Sections of Three Propargylic Fuels,” Matthew Winfough (graduate student) and Giovanni Meloni, presented at the “253rd ACS National Meeting,” San Francisco, California, April 2 – 6, 2017.
  • “Synchrotron Multiplexed Photoionization Mass Spectrometry of Cl-Initiated Oxidation of Tetrahydropyrane (THP) at 298, 550, and 650 K,” Adam Otten (graduate student) and Giovanni Meloni, presented at the “253rd ACS National Meeting,” San Francisco, California, April 2 – 6, 2017.
  • “Cl-Initiated Oxidation of Propargylamine via Synchrotron Multiplexed Photoionization Mass Spectrometry,” Chelsea Price (graduate student) and Giovanni Meloni, presented at the “253rd ACS National Meeting,” San Francisco, California, April 2 – 6, 2017.
  • “Study of the O(3P) Initiated Oxidation of 2-Methylfuran via Synchrotron Multiplexed Photoionization Mass Spectrometry,” Yasmin Fathi (graduate student), Kelechi Nwachuku (undergraduate student), and Giovanni Meloni, presented at the “253rd ACS National Meeting,” San Francisco, California, April 2 – 6, 2017.
  • “Photoionization and Photodissociation of Xylyl (Methylbenzyl) Bromide Radicals using VUV Synchrotron Radiation,” ,” Yasmin Fathi (graduate student), Patrick Hemberger, and Giovanni Meloni, presented at the “253rd ACS National Meeting,” San Francisco, California, April 2 – 6, 2017.
  • “Synchrotron Photoionization Study of 2-Methy-3-Buten-2-O (MBO) Oxidation Initiated by O(3P) Atoms,” Yasmin Fathi (graduate student), Chelsea Price (graduate student), and Giovanni Meloni, presented at the “2017 Pacific Conference on Spectroscopy and Dynamics,” Asilomar, California, January 19 – 22, 2017.
  • “Absolute Photoionization Cross Sections of Two Cyclic Ketones: Cyclopentanone and Cyclohexanone,” Chelsea Price (graduate student), Yasmin Fathi (graduate student), and Giovanni Meloni, presented at the “2017 Pacific Conference on Spectroscopy and Dynamics,” Asilomar, California, January 19 – 22, 2017.

In this grant first year, we published seven manuscripts:

  • “Investigation on the Absolute and Relative Photoionization Cross Sections of Three Potential Propargylic Fuels,” Matthew Winfough (graduate student) and Giovanni Meloni,* Mass. Spec. just accepted (2017).
  • “Study of the Synchrotron Photoionization Oxidation Initiated by O(3P) of 2-Methylfuran (2MF) under Low-Temperature Conditions at 550 and 650 K,” Yasmin Fathi (graduate student) and Giovanni Meloni,* Phys. Chem. A 121, 6966-6980 (2017).
  • “Reduction of Carbon Dioxide with Superalkali,” Heejune Park (graduate student) and Giovanni Meloni,* Dalton Trans. 46, 11942-11949 (2017).
  • “Furfural: The Unimolecular Dissociative Photoionization Mechanism of the Simplest Furanic Aldehyde,” Matthew Winfough (graduate student), Krisztina Voronova, Giel Muller (graduate student), Gabrielle Laguisma (undergraduate student), Balint Sztaray, Andras Bodi, and Giovanni Meloni,* Phys. Chem. A 121, 3401-3410 (2017).
  • “Low-Temperature Synchrotron Photoionization Study of 2-Methyl-3-buten-2-ol (MBO) Oxidation Initiated by O(3P) Atoms in the 298-650 K range,” Yasmin Fathi (graduate student), Chelsea Price (graduate student), and Giovanni Meloni,* Phys. Chem. A 121, 2936-2950 (2017).
  • “Absolute Photoionization Cross Sections of two Cyclic Ketones: Cylopentanone & Cyclohexanone,” Chelsea Price (graduate student), Yasmin Fathi (graduate student), and Giovanni Meloni,* Mass. Spec. 52, 259-270 (2017).
  • “Synchrotron Photoionization Investigation of the Oxidation of Ethyl tert-Butyl Ether,” Matthew Winfough (graduate student), Rong Yao (graduate student), Katherin Catani (undergraduate student), and Giovanni Meloni,* Phys. Chem. A 121, 1460-1469 (2017).