Chemistry Commons^™

Anion And Cation-Yield Spectroscopy Of Core-Excited Sf6, Maria Novella Piancastelli, Wayne C. Stolte, Renaud Guillemin, A. Wolska, M. M. Sant'anna, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

We report an extensive study on total and partial-ion-yield spectroscopy around both the S 2p and F 1s thresholds in SF₆. All positive and negative single-ion channels have been measured. Below the F 1s threshold we detect a large variation in relative intensity of the resonant structures according to the specific channel monitored, indicating selective fragmentation. Above threshold, at variance with previous cases described by us, we detect high-intensity structures related to shape resonances not only in the cation channels but also for the anions. We discuss the applicability and limits of a model we …

2005- 2008 Unlv Mcnair Journal, Valerie Avery, Shana Bachus, Karmen K. Boehlke, Andrea Flores, Alden Kelly, Erick Lopez, Carol Preussler, Heather Shay, Ava Bookatz, Shaun Elsasser, Veronica Hicks, Shaida A. Jetha, Anthony Quinn, Thurithabhani Seneviratne, Teddy Boado Sim Jr., Liza Ward, Amris Henry-Rodgers, Jacquelynn Kaaa-Logan, Jason Orozco, Juan C. Plata, Bonnie Bartlett, Kathleen Bell, Vacheral M. Carter, Nydia Diaz, Kimberly Hackstock, Julio A. Luna, Charles Mao, Sandra Ramos, Precious Rideout, Benjamin Lee Watrous, Chet R. Whitley

McNair Journal

Journal articles based on research conducted by undergraduate students in the McNair Scholars Program

Table of Contents

Biography of Dr. Ronald E. McNair

Statements:

Dr. Neal J. Smatresk, UNLV President

Dr. Juanita P. Fain, Vice President of Student Affairs

Dr. William W. Sullivan, Associate Vice President for Retention and Outreach

Mr. Keith Rogers, Deputy Executive Director of the Center for Academic Enrichment and Outreach

McNair Scholars Institute Staff

Interaction Between Metal Fission Products And Triso Coating Materials: A Study Of Chemical Bonding And Interdiffusion: 2nd Quarter Report, 2005, Clemens Heske

Fuels Campaign (TRP)

The goal of our project is to investigate interface corrosion processes in TRISO nuclear fuel particles. For this purpose, we are undertaking a detailed study of the interface formation between potential candidates for metallic fission products (Pd, Ag, and Cs), likely to diffuse from the kernel of the TRISO particles, with the TRISO coating layers. As a starting point, we are investigating the Pd/SiC interface and will extend our studies to Ag/SiC during our current summer research campaign. The experimental approach comprises the preparation of metal/SiC interfaces in-situ in our ultra-high vacuum system by electron-beam deposition. In order to understand …

Interaction Between Metal Fission Products And Triso Coating Materials: A Study Of Chemical Bonding And Interdiffusion: 1st Quarter Report, 2005, Clemens Heske

Fuels Campaign (TRP)

In this project we utilize a combination of state-of-the-art soft X-ray spectroscopies to understand the chemical bonding between metal fission products (Pd and Ag) with coating layers in TRISO fuel particles (SiC and pyrocarbon). We are primarily focusing on an analysis of intermediate chemical phases at the interface, the intermixing/diffusion behavior, and the electronic interface structure as a function of material choice (metal and coating materials), temperature, and external stress. In the current first project year, we are beginning these investigations with the Pd/SiC interface, as discussed in the previous two quarterly reports. Our first experiments (both using our lab …

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

Fuels Campaign (TRP)

The goal of this project is to elucidate the chemical bonding and interface formation of metal fission products with the coating materials used in state-of-the-art TRISO fuel particles. Particular emphasis is placed on an analysis of intermediate chemical phases at the interface, the intermixing/diffusion behavior, and the electronic interface structure as a function of material choice (metal and coating materials), temperature, and external stress. Furthermore, the chemical state of some of the metal fission products will be assessed.

This project studies the interface formation of Pd, Ag, and Cs with SiC and pyrolytic carbon. Using the TRISO coating materials (and …

Evaluation Of Fluorapatite As A Waste-Form Material: First Quarter Report (2004-05), October 1 - December 31, 2004, Dennis W. Lindle, Oliver Hemmers

Separations Campaign (TRP)

Fluorapatite, fluorinated calcium phosphate, has been identified as a potential matrix for the entombment of the zirconium fluoride fission product waste stream from the proposed FLEX process. If the efficacy of fluorapatite-based waste-storage can be demonstrated, then new and potentially more-efficient options for handling and separating high-level wastes, based on fluoride-salt extraction, will become feasible. This proposal will develop a dual-path research project to develop a process to fabricate a synthetic fluorapatite waste form for the ZrF₄, FP waste stream, characterize the waste form, examine its performance under environmental conditions, and correlate the behavior of the waste form …

Chemical Analyses In Support Of Yucca Mountain Studies, Jeanette Daniels, Klaus J. Stetzenbach, Drew Coleman, Amy J. Smiecinski, Raymond E. Keeler

Publications (YM)

The objective of this task “Chemical Analyses in Support of Yucca Mountain Studies” is to provide the Department of Energy (DOE) with data and reports from comprehensive chemical analyses of waters sampled from the wells of the Nye County Early Warning Drilling Program (NCEWDP), the Inyo County’s Drilling Program, and the Nye county Tracer Test. In addition, this task will be used to provide other laboratory support needs as they arise within the Yucca Mountain Project. This support is provided by the Harry Reid Center for Environmental Studies (HRC) at University of Nevada, Las Vegas (UNLV), which is part of …

The Electrochemical Separation Of Curium And Americium: Quaterly Report August-December 2004, David W. Hatchett, Kenneth Czerwinski

Separations Campaign (TRP)

This research report outlines the current status and progress associated with the electrochemical separation of Curium and Americium. The following pages outline the progress on our project to date. We have been actively performing research on this project for three months and are currently on schedule in terms of the proposed timelines.

The initial focus of the project involved setting up the laboratories for the studies outlined in the grant proposal. The instrumentation needed included an electrochemical work station that will perform the bulk of the electrochemical studies. This instrument will complement the electrochemical instrumentation in Dr. Hatchett’s laboratory and …

Dissolution, Reactor, And Environmental Behavior Of Zro2-Mgo Inert Fuel Matrix: Quarterly Report, October 2004 To December 2004, Earl Wolfram, Thomas Hartmann, Kenneth Czerwinski

Fuels Campaign (TRP)

This project will examine inert matrix fuels containing ZrO₂ and MgO as the inert matrix, with the relative amount of MgO varied from 30% to 70% in ZrO₂. Reactor physics calculations will be used to examine suitable quantities of burnable poisons from the candidate elements Gd, Er, or Hf with reactor grade Pu providing the fissile component, with up to 10% of ²³⁹Pu. Ceramics will be synthesized and characterized based on the reactor physics results. The solubility the fuel ceramics, in reactor conditions, reprocessing conditions, and repository conditions, will be investigated in a manner to provide …

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

Separations Campaign (TRP)

The recovery of iodine released during the processing of used nuclear fuel poses a significant challenge to the transmutation of radioactive iodine. During the first two years of this program we have examined the potential of Fullerene Containing Carbon compounds (FCC) developed by KRI, and natural organic matter (NOM) as sorbents for iodine released during the reprocessing of nuclear fuel. This work involved the development of bench-scale testing of the FCC and NOM material in a simulated process off-gas environment.

Research Objectives and Goals

• Develop bench-scale experimental set-up and procedures for simulating PUREX head-end vapor phase; Develop experimental procedures …

Immobilization Of Fission Iodine By Reaction With A Fullerene Containing Carbon Compound And Insoluble Natural Organic Matrix: Quarterly Report August-September 2004, Spencer M. Steinberg

Separations Campaign (TRP)

During first year of the project we were able to demonstrate iodine sorption by a sphagnum peat and Ca(OH)2 mixture. We decided to explore varying the ratio of Ca(OH)2 to sphagnum on the retention of iodine in both the iodine generator experiments and the fuel rod simulator experiments.

We also constructed a device for simulating the dissolution of fuel rods. Early experiments were impacted by sorption of iodine onto various components of the sorption train. We have eliminated or minimized iodine sorption by the system components. We retested both FCC and the sphagnum using this device. In these experiments a …

Inside Unlv, Diane Russell, Carol C. Harter, Cate Weeks, Cayrn Key

Inside UNLV

No abstract provided.

Dissolution, Reactor, And Environmental Behavior Of Zro2-Mgo Inert Fuel Matrix: Neutronic Evaluation Of Zro2-Mgo Inert Fuels, E. Fridman, A. Galperin, E. Shwageraus

Fuels Campaign (TRP)

Second task of the BGU part of “Dissolution, Reactor, and Environmental Behavior of ZrO₂-MgO Inert Fuel Matrix” project aims at evaluation of the fertile free fuel matrix composition effect on the fuel reactivity and corresponding reactivity limited burnup. Fertile free fuel with different MgO to ZrO₂ ratio in the matrix will require different PuO₂ loading in order to assure certain fuel cycle length. This is due to the fact that absorption cross section of Zr is slightly higher than that of Mg, although absorption in both of these elements is small compared to Pu. Therefore, the …

Development Of A Systems Engineering Model Of The Chemical Separations Process: Final Report, Yitung Chen, Sean Hsieh

Separations Campaign (TRP)

The whole chemical separation process is complex to the point that definitely requires certain level of systematic coordination. To perform smoothly and meet the target extraction rates among those processes, this research proposed a general-purpose systems engineering model.

A general purposed systems engineering model, Transmutation Research Program System Engineering Model Project (TRPSEMPro), was developed based on the above design concept. The system model includes four main parts: System Manager, Model Integration, Study Plan, and Solution Viewer. TRPSEMPro can apply not only to chemical separation process, but also a general system model.

Software engineering and Object Oriented Analysis and Design (OOA&D) …

Development Of A Systems Engineering Model Of The Chemical Separations Process, Yitung Chen, Sean Hsieh

Separations Campaign (TRP)

The whole chemical separation process is complex to the point that definitely requires certain level of systematic coordination. To perform smoothly and meet the target extraction rates among those processes, this research proposed a general-purpose systems engineering model.

A general purposed systems engineering model, Transmutation Research Program System Engineering Model Project (TRPSEMPro), was developed based on the above design concept. The system model includes four main parts: System Manager, Model Integration, Study Plan, and Solution Viewer. System Manager supervises all the case (problem) creation, and functionality definition. Model Integration identifies chemical extraction processes and their execution sequence. Study Plan is …

Evaluation Of Fluorapatite As A Waste-Form Material: Fourth Quarter Report, June 1 - September 30, 2004, Dennis W. Lindle, Oliver Hemmers

Separations Campaign (TRP)

Fluorapatite, fluorinated calcium phosphate, has been identified as a potential matrix for the entombment of the zirconium fluoride fission product waste stream from the proposed FLEX process. If the efficacy of fluorapatite-based waste-storage can be demonstrated, then new and potentially more-efficient options for handling and separating high-level wastes, based on fluoride-salt extraction, will become feasible. This proposal will develop a dual-path research project to develop a process to fabricate a synthetic fluorapatite waste form for the ZrF₄, FP waste stream, characterize the waste form, examine its performance under environmental conditions, and correlate the behavior of the waste form …

Probing Cation Antisite Disorder In Gd2ti2o7 Pyrochlore By Site-Specific Nexafs And Xps, Ponnusamy Nachimuthu, S. Thevuthasan, Mark H. Engelhard, W. J. Weber, D. K. Shuh, N. M. Hamdan, B. S. Mun, E. M. Adams, D. E. Mccready, V. Shutthanandan, Dennis W. Lindle, G. Balakrishnan, R. C. Ewing

Chemistry and Biochemistry Faculty Research

Disorder in Gd₂Ti₂O₇ is investigated by near-edge x-ray-absorption fine structure (NEXAFS) and x-ray photoelectron spectroscopy (XPS). NEXAFS shows Ti⁴⁺ ions occupy octahedral sites with a tetragonal distortion induced by vacant oxygen sites. O 1s XPS spectra obtained with a charge neutralization system from Gd₂Ti₂O₇(100) and the Gd₂Ti₂O₇ pyrochlore used by Chen et al. [Phys. Rev. Lett. 88, 105901 (2002)], both yielded a single peak, unlike the previous result on the latter that found two peaks. The current results give no evidence for …

Nondipole Effects In The Photoionization Of Xe 4d5/2 And 4d3/2: Evidence For Quadrupole Satellites, Oliver Hemmers, Renaud Guillemin, D. Rolles, A. Wolska, Dennis W. Lindle, K. T. Cheng, W. R. Johnson, H. L. Zhou, S. T. Manson

Environmental Studies Faculty Publications

Measurements of nondipole parameters in spin-orbit-resolved Xe 4d photoionization demonstrate dynamical differences arising from relativistic effects. The experimental data do not agree with relativistic random-phase approximation calculations of single ionization dipole and quadrupole channels. It is suggested that the discrepancy is due to the omission of multiple-excitation quadrupole channels, i.e., quadrupole satellite transitions.

Afci Quarterly Input – Unlv July Through September, 2004, Harry Reid Center For Environmental Studies. Nuclear Science And Technology Division

Transmutation Research Program Reports (TRP)

Quarterly report highlighting research projects, activities and objectives of the Transmutation Research Program at the Nuclear Science & Technology Division, Harry Reid Research Center.

The University of Nevada, Las Vegas supports the AFCI through research and development of technologies for economic and environmentally sound refinement of spent nuclear fuel. The UNLV program has four components: infrastructure, international collaboration, student-based research, and management and program support.

Dissolution, Reactor, And Environmental Behavior Of Zro2-Mgo Inert Fuel Matrix: Quarterly Report, July 2004 To September 2004, Kenneth Czerwinski, Earl Wolfram

Fuels Campaign (TRP)

This project will examine inert fuels containing ZrO₂ and MgO as the inert matrix, with the relative amount of MgO varied from 30% to 70% in ZrO₂. Reactor physics calculations will be used to examine suitable quantities of burnable poisons from the candidate elements Gd, Er, or Hf with reactor grade Pu providing the fissile component, with up to 10 % of ²³⁹Pu. Ceramics will be synthesized and characterized based on the reactor physics results. The solubility the fuel ceramics, in reactor conditions, reprocessing conditions, and repository conditions, will be investigated in a manner to provide …

Dissolution, Reactor, And Environmental Behavior Of Zro2-Mgo Inert Fuel Matrix: Neutronic Evaluation Of Zro2-Mgo Inert Fuels, E. Fridman, A. Galperin, E. Shwageraus

Fuels Campaign (TRP)

This progress report presents results of analysis performed within the framework of “Dissolution, Reactor, and Environmental Behavior of ZrO₂-MgO Inert Fuel Matrix” project managed by University of Nevada at Las Vegas, Harry Reid Center for Environmental Studies.

The BGU working program includes the following four tasks:

1. Benchmark of computational tools

2. Determination of fissile Pu loading

3. Evaluation of burnable poison designs

4. Evaluation of reactivity feedback coefficients

This progress report presents the results of Task 1. The main objective of this task is to confirm the validity of the ELCOS ¹ code system for inert matrix …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Task V: Trp Final Report 09/01/2003-08/31/2004, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The Lead-Bismuth eutectic (LBE) has been determined from previous experimental studies by the Russians and the European scientific community to be a potential material that can be used as a spallation target and coolant for the TRP proposed application. Properly controlling the oxygen content in LBE can drastically reduce the LBE corrosion to structural steels. However, existing knowledge of material corrosion performance was obtained from point-wise testing with only very sparse experimental data. Scientists have noticed that the concentration of oxygen dissolved in the liquid alloy could control the corrosion rate of steels exposed to Pb or Pb-Bi. At high …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Task V: Fourth Quarterly Report 06/01/2004-08/31/2004, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The Lead-Bismuth eutectic (LBE) has been determined from previous experimental studies by the Russians and the European scientific community to be a potential material that can be used as a spallation target and coolant for the TRP proposed application. Properly controlling the oxygen content in LBE can drastically reduce the LBE corrosion to structural steels. However, existing knowledge of material corrosion performance was obtained from point-wise testing with only very sparse experimental data. Scientists have noticed that the concentration of oxygen dissolved in the liquid alloy could control the corrosion rate of steels exposed to Pb or Pb-Bi. At high …

Inside Unlv, Cate Weeks, Carol C. Harter, Diane Russell, Holly Ivy De Vore

Inside UNLV

No abstract provided.

Environment-Induced Degradation And Crack-Growth Studies Of Candidate Target Materials: Annual Progress Report (May 2003 – May 2004), Ajit K. Roy

Transmutation Sciences Materials (TRP)

As indicated in the original proposal, the primary objective of this task was to evaluate the effect of hydrogen on environment-assisted cracking of candidate target structural materials for applications in spallation-neutron-target (SNT) systems such as accelerator production of tritium (APT) and accelerator transmutation of waste (ATW). The materials selected for evaluation and characterization were martensitic stainless steels including Alloy EP 823, HT-9, and Type 422 stainless steel. The susceptibility to stress corrosion cracking (SCC) of these materials were evaluated in neutral and acidic aqueous environments using smooth and notched tensile specimens under constant-load (CL) and slow-strain-rate (SSR) conditions. Further, the …

Spectroscopic And Microscopic Investigation Of The Corrosion Of 316/316l Stainless Steel By Lead-Bismuth Eutectic (Lbe) At Elevated Temperatures: Importance Of Surface Preparation, Allen L. Johnson, Denise Parsons, Julia Manzerova, Dale L. Perry, Daniel Koury, Brian D. Hosterman, John Farley

Transmutation Sciences Materials (TRP)

The corrosion of steel by lead–bismuth eutectic (LBE) is an important issue in proposed nuclear transmutation schemes. Russian scientists at the IPPE exposed steel samples to oxygen-controlled LBE at temperatures up to 823 K and exposure times up to 3000 h. We have characterized these post-exposure steel samples and unexposed controls, using scanning electron microscopy (SEM), energy-dispersive X-ray analysis (EDAX) and X-ray photoelectron spectroscopy (XPS). Previous researchers have investigated the corrosion by LBE of steel of varying composition. In the present work, we compared two samples having the same composition (standard nuclear grade 316/316L) but different surface preparation: a cold-rolled …

Inside Unlv, Holly Ivy De Vore, Carol C. Harter, Stuart Mann

Inside UNLV

No abstract provided.

Nearest-Neighbor-Atom Core-Hole Transfer In Isolated Molecules, Renaud Guillemin, Oliver Hemmers, D. Rolles, S. W. Yu, A. Wolska, I. Tran, A. C. Hudson, J. Baker, Dennis W. Lindle

Environmental Studies Faculty Publications

A new phenomenon sensitive only to next-door-neighbor atoms in isolated molecules is demonstrated using angle-resolved photoemission of site-selective core electrons. Evidence for this interatomic core-to-core electron interaction is observable only by measuring nondipolar angular distributions of photoelectrons. In essence, the phenomenon acts as a very fine atomic-scale sensor of nearest-neighbor elemental identity.

Immobilization Of Fission Iodine By Reaction With A Fullerene Containing Carbon Compound And Insoluble Natural Organic Matrix: Quaterly Report April-June 2004, Spencer M. Steinberg

Separations Campaign (TRP)

The recovery of iodine released during the processing of used nuclear fuel poses a significant challenge to the transmutation of radioactive iodine. This proposal will develop and examine the use of Fullerene Containing Carbon (FCC) compounds as potential sorbents for iodine release from the reprocessing of nuclear fuel. This work will also include the development of bench-scale testing capabilities at UNLV to allow the testing of the FCC material in a simulated process off-gas environment. This experimental capability will also be used to test other potential sorption materials and processes, such as natural organic matter (NOM) and other promising alternatives. …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Task V: Third Quarterly Report 03/01/2004-05/31/2004, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The Lead-Bismuth eutectic (LBE) has been determined from previous experimental studies by the Russians and the European scientific community to be a potential material that can be used as a spallation target and coolant for the TRP proposed application. Properly controlling the oxygen content in LBE can drastically reduce the LBE corrosion to structural steels. However, existing knowledge of material corrosion performance was obtained from point-wise testing with only very sparse experimental data. Scientists have noticed that the concentration of oxygen dissolved in the liquid alloy could control the corrosion rate of steels exposed to Pb or Pb-Bi. At high …