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Physical Chemistry

2008

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Articles 151 - 171 of 171

Full-Text Articles in Physical Sciences and Mathematics

Immobilization Of Fission Iodine By Reaction With A Fullerene Containing Carbon Compound And Insoluble Natural Matrix, Spencer M. Steinberg, Gary Cerefice, David W. Emerson Jan 2008

Immobilization Of Fission Iodine By Reaction With A Fullerene Containing Carbon Compound And Insoluble Natural Matrix, Spencer M. Steinberg, Gary Cerefice, David W. Emerson

Separations Campaign (TRP)

Observations related to the oxidation of iodide to iodine (I2) or hypoiodic acid (HIO) by MnO2 were continued. The formation of triiodide presumable involves the adsorption of iodide onto the MnO2 surface (perhaps displacing a surface hydroxyl group). The iodide should be subsequently oxidized and released back into solution as IOH or I2, which rapidly forms I3 -. The kinetic data has been modeled as a first order process. First order rate constants have been obtained for the formation of iodine in the presence of MnO2. The increase in iodide …


Spectroscopy Is Applied Quantum Mechanics. Part 2: The Quantum Revolution, David W. Ball Jan 2008

Spectroscopy Is Applied Quantum Mechanics. Part 2: The Quantum Revolution, David W. Ball

Chemistry Faculty Publications

The article presents several theories relative to the nature of matter. The quantum theory of German theoretical physicist Max Planck proposes that the energy of a vibrating atom was related to its frequency. Albert Einstein's quantum theory of light hypothesizes that light itself had an energy that was directly proportional to its frequency. Danish physicist Niels Bohr develops an equation that could help explain the lines that appeared in the spectrum of the hydrogen atom.


Parameterizing A Simple Potential Energy Function Appropriate For Vibrational Frequencies Using Molecular Dynamics, Carl W. David Jan 2008

Parameterizing A Simple Potential Energy Function Appropriate For Vibrational Frequencies Using Molecular Dynamics, Carl W. David

Chemistry Education Materials

A Maple scheme for quickly parameterizing vibrational potential energy functions is presented. As an example, the potential energy function's parameters for the vibrational motions in H_2O_2 are obtained assuming the simplest potential energy function.

This paper was originally written as a research paper, but rejected by the referees. It is therefore being edited into an ``educational'' paper for student usage.


Evaluation Of Fluorapatite As A Waste-Form Material, Dennis W. Lindle, Oliver Hemmers, Dale L. Perry Jan 2008

Evaluation Of Fluorapatite As A Waste-Form Material, Dennis W. Lindle, Oliver Hemmers, Dale L. Perry

Separations Campaign (TRP)

Argonne National Laboratory has proposed a new extraction procedure to handle TRISO-coated fuels, the Fluoride Extraction Process (FLEX). The FLEX process is designed to separate the uranium in the fuel from the actinides and most fission products by taking advantage of the unique properties of uranium hexafluoride (UF6). In the FLEX process, the used TRISO fuel is reacted with zirconium fluoride salt, forming UF6 and the fluoride salts of the actinides and fission products. At process temperatures, the UF6 volatizes into a gas, and is released from the molten salt mixture. This leaves behind the actinides …


Electrochemical Separation Of Curium And Americium, David W. Hatchett, Kenneth Czerwinski Jan 2008

Electrochemical Separation Of Curium And Americium, David W. Hatchett, Kenneth Czerwinski

Separations Campaign (TRP)

The objective was to use electrochemical techniques to develop a thermodynamic understanding of actinide and lanthanide species in RTIL solutions, and use this data to effectively separate species with very similar chemical properties.

In consultation with a DOE collaborator, electrochemical methods and materials were evaluated and used to exploit the thermodynamic differences between similar chemical species enhancing the ability to selectively target and sequester individual species from mixtures. This project, in its third year, successfully completed phases 1, 2. Phase 3 was partially completed. The project expanded to include phase 4.

The following were specific goals for 2007-2008:

• To …


Fundamental Chemistry Of U And Pu In The Tbp-Dodecane-Nitric Acid System, Kenneth Czerwinski Jan 2008

Fundamental Chemistry Of U And Pu In The Tbp-Dodecane-Nitric Acid System, Kenneth Czerwinski

Separations Campaign (TRP)

The research objective is to experimentally evaluate the fundamental speciation of Pu and U in the TBP-dodecane-nitric acid- AHA system and the effect of pertechnetate, specifically:

• To determine the influence of nitrate on the speciation of U and Pu in the TBP-dodecane-nitric acid system. The aqueous and organic speciation of U and Pu are examined as a function of the nitric acid concentration, nitrate concentration, actinide ion concentration, temperature, and time.

• To determine the speciation of U and Pu with AHA in the presence and absence of TBP-dodecane organic phase. The aqueous and organic speciation of U and …


F-Element Electrochemistry In Rtil Solutions: Electrochemical Separation Of Lanthanides And Actinides, David W. Hatchett Jan 2008

F-Element Electrochemistry In Rtil Solutions: Electrochemical Separation Of Lanthanides And Actinides, David W. Hatchett

Separations Campaign (TRP)

Electrochemical methods can be used to effectively separate actinide and lanthanide species from complex mixtures. This is based on the unique electrochemical properties of each specific target species. In studies it has been found that, with the exception of Ce, aqueous solutions provide unsuitable electrochemical windows to effectively evaluate the thermodynamic properties that are useful for chemical separations. Therefore, a more novel approach was examined which eliminated the aqueous solution with a room temperature ionic liquid (RTIL) solution. RTIL solutions do not suffer from the side reactions that are prominent in aqueous environments. In addition, the potential window is much …


Evaluation Of Fundamental Radionuclide Extraction Data For Urex, Kenneth Czerwinski Jan 2008

Evaluation Of Fundamental Radionuclide Extraction Data For Urex, Kenneth Czerwinski

Separations Campaign (TRP)

The speciation of technetium and actinides in advanced solvent extraction systems is the basis for their manipulation in separations. The ability to understand and predict radionuclide speciation is paramount to successful modeling of proposed separation systems. This project will examine the speciation of radionuclides in different stages of the uranium extraction (UREX) separation scheme, providing data useful to modeling. The areas to be examined include the speciation of uranium and plutonium with tributylphosphate and the kinetics and thermodynamics of lanthanides and actinides in the TALSPEAK (Trivalent actinide lanthanide separation by phosphorous reagent extraction from aqueous complexes) system. The complexation constants …


Criticality Studies For Urex Processes, Denis Beller Jan 2008

Criticality Studies For Urex Processes, Denis Beller

Separations Campaign (TRP)

The completion of criticality experiments for mixtures of transuranic actinides (TRU; includes neptunium, plutonium, americium, and curium) that will be created during the separation of used nuclear fuel may be a requirement in order to construct prototype plants for the Global Nuclear Energy Partnership (GNEP). In this program and the Advanced Fuel Cycle Research and Development (AFC R&D) program that supports it, economic and environmental methods are being developed to reduce the impact of waste from commercial nuclear fuel cycles.

Recycling of used fuel by chemically separating it into U, fission products, and TRU would be the first step in …


Interaction Between Metal Fission Products And Triso Coating Materials, Clemens Heske Jan 2008

Interaction Between Metal Fission Products And Triso Coating Materials, Clemens Heske

Fuels Campaign (TRP)

This project focuses on the chemical bonding and interface formation of metal fission products with the coating materials used in tri-isotropic (TRISO) fuel particles for gas-cooled reactors. By combining surface- and bulk-sensitive spectroscopic and microscopic methods, intermediate chemical phases at the interface, intermixing/diffusion behavior, and the electronic interface structure for different coating materials and metals are examined.

In detail, the project studies the interface formation of Pd, Cs, and Ag with SiC and pyrolytic carbon. Using SiC single crystals and highly-ordered pyrolytic carbon (HOPG) as substrates, interfaces are prepared under controlled conditions in an ultra-high vacuum environment and are studied …


Solution-Based Synthesis Of Nitride Fuels, Kenneth Czerwinski, Tyler A. Sullens Jan 2008

Solution-Based Synthesis Of Nitride Fuels, Kenneth Czerwinski, Tyler A. Sullens

Fuels Campaign (TRP)

One of the original synthetic routes devised for the synthesis of U (III)N involved the entire reaction taking place in liquid ammonia. Several experimental reactions were conducted in an attempt to synthesize the UI3(NH3)x and U(NH2)3(NH3)x precursors of U(III) N. Each attempt involved cleaning of the uranium metal to remove the oxide coating of the metal reagent with 3 washes of concentrated nitric acid, each followed by a rinse with liquid ammonia. Success of this cleaning procedure was varied, with a majority of cleaned metal oxidizing rapidly once …


Ua66/1/5 Icset - Institute For Combustion Science & Environmental Technology, Wku Ogden College Of Science & Engineering Jan 2008

Ua66/1/5 Icset - Institute For Combustion Science & Environmental Technology, Wku Ogden College Of Science & Engineering

WKU Archives Records

History and overview of the work of the WKU Institute for Combustion Science & Environmental Technology through 2008.


Evaluation Of A Naive Model For Square Wave Voltammetry At A Microelectrode, Patrick Enright, John Cassidy, Tony Betts Jan 2008

Evaluation Of A Naive Model For Square Wave Voltammetry At A Microelectrode, Patrick Enright, John Cassidy, Tony Betts

Articles

A square wave voltammetric waveform ( SWV) was applied to an inlaid microdisk electrode in a solution of K4[Fe(CN)6]. A simple model relying on the assumption of steady state current throughout the scan was used to model the current potential behaviour. However, experimental peak current magnitudes were between 30% and 50% greater than those predicted by the model. The model predicts an increase of peak current and peak width at half height with pulse height Esw and no effect of the parameters frequency, f and step height, ΔEs. Experimental peak current magnitudes and peak current magnitudes predicted by the model …


Improved High-Temperature Stability And Sun-Light-Driven Photocatalytic Activity Of Sulfur-Doped Anatase Tio2, Suresh Pillai, Declan Mccormack, Pradeepan Periyat, John Colreavy, Steve Hinder Jan 2008

Improved High-Temperature Stability And Sun-Light-Driven Photocatalytic Activity Of Sulfur-Doped Anatase Tio2, Suresh Pillai, Declan Mccormack, Pradeepan Periyat, John Colreavy, Steve Hinder

Articles

No abstract provided.


Photofragmentation Of Sif4 Upon Si 2p And F 1s Core Excitation: Cation And Anion Yield Spectroscopy, Maria Novella Piancastelli, Wayne C. Stolte, Renaud Guillemin, A. Wolska, Dennis W. Lindle Jan 2008

Photofragmentation Of Sif4 Upon Si 2p And F 1s Core Excitation: Cation And Anion Yield Spectroscopy, Maria Novella Piancastelli, Wayne C. Stolte, Renaud Guillemin, A. Wolska, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

We have studied the fragmentation dynamics of core-excited SiF4 by means of soft-x-ray photoexcitation and partial positive and negative ion yield measurements around the Si L2,3-shell and F K-shell ionization thresholds. All detectable ionic fragments are reported and we observe significant differences between the various partial ion yields near the Si 2p threshold. The differences are similar to our previous results from CH3Cl showing more extended fragmentation in correspondence to transitions to Rydberg states. At variance with smaller systems, we observe negative ion production in the shape resonance region. This can be related …


Methods In Industrial Biotechnology For Chemical Engineers, Florentin Smarandache, W.B. Vasantha Kandasamy Jan 2008

Methods In Industrial Biotechnology For Chemical Engineers, Florentin Smarandache, W.B. Vasantha Kandasamy

Branch Mathematics and Statistics Faculty and Staff Publications

Industrial Biotechnology is an interdisciplinary topic to which tools of modern biotechnology are applied for finding proper proportion of raw mix of chemicals, determination of set points, finding the flow rates etc., This study is significant as it results in better economy, quality product and control of pollution. The authors in this book have given only methods of industrial biotechnology mainly to help researchers, students and chemical engineers. Since biotechnology concerns practical and diverse applications including production of new drugs, clearing up pollution etc. we have in this book given methods to control pollution in chemical industries as it has …


Surface Study Of Niobium For Superconducting Radio Frequency (Srf) Accelerators, Hui Tian Jan 2008

Surface Study Of Niobium For Superconducting Radio Frequency (Srf) Accelerators, Hui Tian

Dissertations, Theses, and Masters Projects

Niobium rf superconductivity is a near-surface phenomenon because of the shallow rf penetration depth. Accordingly, the performance of Nb SRF accelerator cavities is strongly impacted by the topmost few nanometers interior surface, especially as impacted by the final surface conditioning treatments.;Surface topography impacts performance through local loss of superconductivit caused by intrusion of the rf magnetic field, which is enhanced at sharp protrusions. "Sharpness" comprises both vertical and lateral aspects, requiring development a new characterization approach beyond the familiar roughness measurements (Ra, Rz), which view only the vertical component. Stylus profilomety and atomic force microscopy traces view surface topography from …


Activation Energy Of Surface Diffusion And Terrace Width Dynamics During The Growth Of In (4×3) On Si (100) - (2×1) By Femtosecond Pulsed Laser Deposition, M. A. Hafez, H. E. Elsayed-Ali Jan 2008

Activation Energy Of Surface Diffusion And Terrace Width Dynamics During The Growth Of In (4×3) On Si (100) - (2×1) By Femtosecond Pulsed Laser Deposition, M. A. Hafez, H. E. Elsayed-Ali

Electrical & Computer Engineering Faculty Publications

The nucleation and growth of indium on a vicinal Si (100) - (2×1) surface at high temperature by femtosecond pulsed laser deposition was investigated by in situ reflection high energy electron diffraction (RHEED). RHEED intensity relaxation was observed for the first ∼2 ML during the growth of In (4×3) by step flow. From the temperature dependence of the rate of relaxation, an activation energy of 1.4±0.2 eV of surface diffusion was determined. The results indicate that indium small clusters diffused to terrace step edges with a diffusion frequency constant of (1.0±0.1) × 1011 s-1. The RHEED specular …


'Partial Derivatives: Are You Kidding?': Teaching Thermodynamics Using Virtual Substance, Chrystal Bruce, Carribeth Bliem, John Papanikolas Dec 2007

'Partial Derivatives: Are You Kidding?': Teaching Thermodynamics Using Virtual Substance, Chrystal Bruce, Carribeth Bliem, John Papanikolas

Chrystal D. Bruce

No abstract provided.


Generation Of Laser-Polarized Xenon Using Fiber-Coupled Laser-Diode Arrays Narrowed With Integrated Volume Holographic Gratings, Panayiotis Nikolaou, Nicholas Whiting, Neil A. Eschmann, Kathleen E. Chaffee, Michael J. Barlow, Boyd M. Goodson Dec 2007

Generation Of Laser-Polarized Xenon Using Fiber-Coupled Laser-Diode Arrays Narrowed With Integrated Volume Holographic Gratings, Panayiotis Nikolaou, Nicholas Whiting, Neil A. Eschmann, Kathleen E. Chaffee, Michael J. Barlow, Boyd M. Goodson

Nicholas Whiting

Volume holographic gratings (VHGs) can be exploited to narrow the spectral output of high-power laserdiode arrays (LDAs) by nearly an order of magnitude, permitting more efficient generation of laser-polarized noble gases for various applications. A ~3-fold improvement in 129Xe nuclear spin polarization, PXe, (compared to a conventional LDA) was achieved with the VHG-LDA’s center wavelength tuned to a wing of the Rb D1 line. Additionally, an anomalous dependence of PXe on the xenon density within the OP cell is reported—including high PXe values (>10%) at high xenon partial pressures (~1000 torr).


Observation And Analysis Of N2o Spectra, Mark Bryant, Scott Reeve, William A. Burns Dec 2007

Observation And Analysis Of N2o Spectra, Mark Bryant, Scott Reeve, William A. Burns

Scott Reeve

No abstract provided.