(2ez) Theoretical and Experimental Techniques for Gas-Phase Kinetics

My research expertise encompasses theoretical and experimental methods for studying gas-phase chemical kinetics. Gas-phase chemical kinetics is a cornerstone of the atmospheric, combustion, and catalytic sciences. Ongoing advances in computational methods and laboratory hardware continue to expand the respective capabilities of theoretical and experimental tools for investigating kinetics. As such, there are numerous exciting possibilities for innovation in this field. Below, I will detail (i) my theoretical experience, (ii) my experimental experience, and (iii) the intersection of the two areas.

Theory (postdoctoral work at Argonne National Laboratory): my past experience in this area involves using computational quantum chemistry to map out potential energy surfaces (PESs), with the end goal of obtaining rate constants for gas-phase reactions through application of the transition state theory (TST)-based master equation. The application of either ab initio (i.e., wavefunction-based) methods or density functional theory methods can provide key parameters of PESs, such as energies and vibrational frequencies. Because mapping an entire PES is not feasible at acceptable levels of accuracy (except for the smallest systems), it is desirable to instead map out only key points on the PES: the transition states and the stable configurations. Information about these points permits the usage of statistical theories such as TST. By employing the multi-well master equation, one can calculate rate constants for complex kinetic systems with great accuracy.

Experiment (graduate work at Texas A&M University): my past experience in this area involves the coupling of infrared laser absorption spectroscopy (IRLAS) with shock tubes. IRLAS permits time-resolved quantification of various molecules, while shock tubes can generate spatially uniform gas-phase environments at extreme temperatures and/or pressures. The combination of these two tools provides a highly useful method for studying chemical kinetics across a wide range of conditions. Individual rate constants can be determined experimentally, or high-quality experimental data can be obtained for the refinement of chemical kinetic mechanisms. I also have experience using shock tubes in conjunction with other light sources, such as ultraviolet (UV) laser absorption, UV broadband absorption, and UV/visible emission. Finally, I also have spectroscopy experience, specifically involving the measurements of fundamental parameters such as molecular line strengths and line shapes.

Intersection (future work): my future goals involve the combination of theoretical and experimental methods to advance the understanding of gas-phase chemistry. In my experiences working with both theoreticians and experimentalists, I have found that there are often limitations to the problems one group or the other can solve. My unique journey has allowed me to bridge the two fields, meaning that I can address problems with a synergistic theoretical/experimental treatment. Exciting opportunities along these lines include non-Boltzmann effects, alternative fuels (e.g., biofuels), and large mechanism development. I believe the combination of theoretical and experimental opportunities will foster a productive and exciting research group.

Teaching Interests

Teaching is a passion of mine. I have been involved in teaching for over a decade, from elementary-aged children up to undergraduate students (incidentally, I also married a teacher!). During my PhD, I was given the opportunity to teach an undergraduate thermodynamics course. During a short postdoctoral appointment at Texas A&M University, I was given the opportunity to teach another two undergraduate courses (thermodynamics and heat transfer). I immensely enjoyed teaching all three of these courses and, given the students’ feedback, the feeling was overwhelmingly mutual.

My teaching philosophy boils down to three words: organized, fair, and helpful. The best teachers I have had were almost exclusively highly organized in terms of their class planning and teaching materials. Fairness is a prerequisite to any healthy learning environment. Finally, I strive to be helpful to the students, as my goal is not to prove my own intelligence but rather to impart knowledge to the students.