Sub-Nanometer Catalyst Clusters for Propane Dehydrogenation

Propane dehydrogenation (PDH) is used to produce propene, which is the primary building block for many commercial plastics. The catalyst most commonly used for this reaction is platinum. Due to rising demand for propene, an alternative catalyst is being sought due to platinum’s high cost. Alternatives might involve very small platinum particles as well as particles composed of different atoms. For this purpose, we have performed a computational study of the PDH reaction with a 4 atom platinum cluster (Pt4) and several different 4-atom transition metal cluster (TM4) catalysts on a graphene support. We have computed the equilibrium structures of the Pt4 and TM4 clusters on both single-and double-vacancy sites and have calculated the complete PDH reaction pathway for each case. This allowed us to study the effect of the graphene support on catalytic activity. We have also calculated the PDH reaction pathway for larger Ptx clusters, where x = 5-14, in order to study the effect of particle size on catalytic activity. These results help clarify the relationship between the PDH activation energy and the propane binding energy and overall reaction energy and may aid in the design of new potential catalysts for the PDH reaction

Parameterizations of Chromospheric Condensations in dG and dMe Model Flare Atmospheres

The origin of the near-ultraviolet and optical continuum radiation in flares is critical for understanding particle acceleration and impulsive heating in stellar atmospheres. Radiative-hydrodynamic simulations in 1D have shown that high energy deposition rates from electron beams produce two flaring layers at T~10^4 K that develop in the chromosphere: a cooling condensation (downflowing compression) and heated non-moving (stationary) flare layers just below the condensation. These atmospheres reproduce several observed phenomena in flare spectra, such as the red wing asymmetry of the emission lines in solar flares and a small Balmer jump ratio in M dwarf flares. The high beam flux simulations are computationally expensive in 1D, and the (human) timescales for completing NLTE models with adaptive grids in 3D will likely be unwieldy for a time to come. We have developed a prescription for predicting the approximate evolved states, continuum optical depth, and the emergent continuum flux spectra of radiative-hydrodynamic model flare atmospheres. These approximate prescriptions are based on an important atmospheric parameter: the column mass (m_ref) at which hydrogen becomes nearly completely ionized at the depths that are approximately in steady state with the electron beam heating. Using this new modeling approach, we find that high energy flux density (>F11) electron beams are needed to reproduce the brightest observed continuum intensity in IRIS data of the 2014-Mar-29 X1 solar flare and that variation in m_ref from 0.001 to 0.02 g/cm2 reproduces most of the observed range of the optical continuum flux ratios at the peaks of M dwarf flares.Comment: 29 pages, 9 figures, accepted for publication in the Astrophysical Journa

A White Light Megaflare on the dM4.5e Star YZ CMi

On UT 2009 January 16, we observed a white light megaflare on the dM4.5e star YZ CMi as part of a long-term spectroscopic flare-monitoring campaign to constrain the spectral shape of optical flare continuum emission. Simultaneous U-band photometric and 3350A-9260A spectroscopic observations were obtained during 1.3 hours of the flare decay. The event persisted for more than 7 hours and at flare peak, the U-band flux was almost 6 magnitudes brighter than in the quiescent state. The properties of this flare mark it as one of the most energetic and longest-lasting white light flares ever to be observed on an isolated low-mass star. We present the U-band flare energetics and a flare continuum analysis. For the first time, we show convincingly with spectra that the shape of the blue continuum from 3350A to 4800A can be represented as a sum of two components: a Balmer continuum as predicted by the Allred et al radiative hydrodynamic flare models and a T ~ 10,000K blackbody emission component as suggested by many previous studies of the broadband colors and spectral distributions of flares. The areal coverage of the Balmer continuum and blackbody emission regions vary during the flare decay, with the Balmer continuum emitting region always being significantly (~3-16 times) larger. These data will provide critical constraints for understanding the physics underlying the mysterious blue continuum radiation in stellar flares.Comment: 12 pages, 4 figures, accepted by Astrophysical Journal Letter

Rapid Technique for Liquid Scintillation Counting of Carbon-14-labelled Barium Carbonate

Rapid technique for liquid scintillation counting of carbon-14-labelled barium carbonat

Models of the Solar Atmospheric Response to Flare Heating

I will present models of the solar atmospheric response to flare heating. The models solve the equations of non-LTE radiation hydrodynamics with an electron beam added as a flare energy source term. Radiative transfer is solved in detail for many important optically thick hydrogen and helium transitions and numerous optically thin EUV lines making the models ideally suited to study the emission that is produced during flares. I will pay special attention to understanding key EUV lines as well the mechanism for white light production. I will also present preliminary results of how the model solar atmosphere responds to Fletcher & Hudson type flare heating. I will compare this with the results from flare simulations using the standard thick target model