Physical Chemistry Commons^™

Predicting The Reactions Of Cs2, Ocs, And Co2 With Group Iv And Group Vi Transition Metal Oxides, Marissa Shea Blair, Zachary Ryan Lee Phd, David A. Dixon Phd

Posters-at-the-Capitol

Building on a recent serious of high level electronic structure studies of Lewis acid gas reactions with metal oxide sorbents, DFT (B3LYP and ωB97X-D) and CCSD(T) methods are being used to predict the Lewis acid-base addition (physisorption) and formation of metal oxide carbonate/thiocarbonate formation (chemisorption) reactions of CS2, OCS, and CO2 of CS2, OCS, and CO2 with Group IV (MO2)n and Group VI (MO3)n (n = 1 - 3) nanoclusters. For the Group IV oxides, chemisorption to form terminal carbonates and thiocarbonates is predicted to be the most favored, with thiocarbonate ligand binding energies slightly more exothermic than their carbonate …

A Comparative Study Of Specific Enthalpy Of Aromatic Hydrocarbons With Simple Carbohydrates, Kohl D. Kervin, Subha Pratihar

ATU Research Symposium

Calorimetry is an aspect of chemistry primarily focused on determining the enthalpy of reactions (∆Hrxn). In the bomb calorimetry technique, the heat of combustion of chemical compounds can be measured experimentally. From this data and the application of Hess’s Law, ∆the Hrxn of several chemical reactions can be determined. The technique of bomb calorimetry can be applied to food, fuels, pharmaceuticals, and many other fields. The objective of the present project is to determine the specific enthalpy of various simple carbohydrates (naturally occurring sugars) through bomb calorimetry and compare it with that of aromatic hydrocarbons.

By performing benzoic acid standardization …

062— Nano-Size Dependence In Aggregation Process Of Beta 2 Microglobulin Coated Gold Colloids, Kaylee A. Hausrath

GREAT Day Posters

The formation of the aggregates of the beta 2 microglobulin (b2m) coated nano-gold colloids were investigated for various nanogold colloid sizes ranging between 10 nm and 100 nm. The aggregation process was considered to be initiated by the selfassembly of b2m by transforming the folded to the unfolded structure under highly acidic condition (pH < 4). The formation of the aggregates were monitored by a peak shift of surface plasmon resonance (SPR) band as a function of number of free b2m available. As for relatively smaller size of gold colloid diameter a gradual aggregation process was observed. The size of the aggregates was considered to increase monotonically as the b2m was added. On the other hand, as for relatively larger diameter of gold colloid, stepwise aggregation process was observed. So that the aggregates of a particular size was formed at a certain threshold of the concentration of available free b2m. The majority of the gold surface of the smaller gold size was easily covered and support the aggregation even at the lower concentration of b2m.

Products Of An Acid-Catalyzed 1-Methylcyclopentene Reaction, Erin Burke

Campus Research Day

The poster presents research on the alternate products produced from 1-methylcyclopentene across different concentrations of sulfuric acid catalyst.

Quantitative Analysis Of Iron In Beer Using Cloud Point Extraction, Joshua Rempfer

Student Scholar Showcase

Determination of Iron concentration in Apocalypse Ale beer using a preconcentration method coupled with UV-Vis spectroscopy. Samples will be cross checked with MP-AES to ensure precise and accurate results.

Combustion Products Of Ethyl Tert-Butyl Ether Using Synchrotron Photoionization, Rong Yao, Martin Ng, David Osborn, Craig Taatjes, Giovanni Meloni

Creative Activity and Research Day - CARD

The photolytically Cl initiated oxidation reaction of ETBE was investigated at the Advanced Light Source located in the Lawrence Berkeley National Laboratory. Using the multiplex photoionization mass spectrometer data were collected at the low pressure (4-8 Torr) and temperature (298 – 700 K) regimes. Data analysis was performed via characterization of the reaction species photoionization spectra and kinetic traces. A reaction schematic including branching fractions determination is presented and discussed.

Investigation Of Oxidation Reaction Products Of 2-Phenylethanol Using Synchrotron Photoionization, Magaly Wooten, Anthony Medrano, David Osborn, Craig Taatjes, Giovanni J. Meloni

Creative Activity and Research Day - CARD

Photolytically Cl-initiated oxidation reaction of 2-phenylethanol (2-PE) was carried out at the Advanced Light Source (ALS) in the Lawrence Berkeley National Laboratory. Using the multiplex photoionization mass spectrometer, coupled with the tunable vacuum ultraviolet radiation of the ALS, data were collected at low pressure (4 – 6 Torr) and temperature (298 – 550 K) regimes. Data analysis was performed via characterization of the reaction species photoionization spectra and kinetic traces.

The Pt2 (1,0) Band Of System Vi In The Near Infrared By Intracavity Laser Absorption Spectroscopy, Leah O'Brien, James O'Brien

Chemistry & Biochemistry Faculty Works

Intracavity laser absorption spectroscopy has been used to record rotationally resolved electronic spectra of Pt2 in the near infrared. The metal dimers were created using a 50 mm-long, platinum-lined hollow cathode plasma discharge. The observed transition at 12 937 cm−1 is identified as the (1,0) band of System VI, with state symmetries Ω = 0 – X Ω = 0.