Chemistry Commons^™

Non-Dipolar Electron Angular Distributions From Fixed-In-Space Molecules, Renaud Guillemin, Oliver Hemmers, Dennis W. Lindle, E. Shigemasa, K. Le Guen, D. Ceolin, C. Miron, N. Leclercq, P. Morin, Marc Simon, P. W. Langhoff

Environmental Studies Faculty Publications

The first indication of nondipole effects in the azimuthal dependence of photoelectron angular distributions emitted from fixed-in-space molecules is demonstrated in N₂. Comparison of the results with angular distributions observed for randomly oriented molecules and theoretical derivations for the nondipole correction first order in photon momentum suggests that higher orders will be needed to describe distributions measured in the molecular frame.

Hydrogen-Induced Embrittlement Of Candidate Target Materials For Applications In Spallation-Neutron-Target Systems: Annual Progress Report (May 2001 – May 2002), Ajit K. Roy, Brendan O'Toole

Transmutation Sciences Materials (TRP)

The primary objective of this task is to evaluate the effect of hydrogen on environment-assisted cracking of candidate target 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 are martensitic stainless steels including Alloy HT-9, Alloy EP 823 and Type 422 stainless steel. The susceptibility to stress corrosion cracking (SCC) and hydrogen embrittlement (HE) of these materials are being evaluated in environments of interest using tensile specimens under constant load and slow-strain-rate (SSR) conditions. Further, the localized corrosion behavior of these alloys …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics: Quarterly Progress Report 03/16/02- 06/15/02, 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 AAA 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 very limited density. 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 oxygen concentration, …

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

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 …

Immobilization Of Fission Iodine By Reaction With A Fullerene Containing Carbon Compound And Insoluble Natural Organic Matrix, 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 sorbtion 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-Phase Two, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

The proposed work will combine chemical kinetics and hydrodynamics in target and test-loop lead-bismuth eutectic (LBE) systems to model system corrosion effects. This approach will result in a predicative tool that can be validated with corrosion test data, used to systematically design tests and interpret the results, and provide guidance for optimization in LBE system designs. The task includes two subtasks. The first subtask is to try to develop the necessary predictive tools to be able to predict the levels of oxygen and corrosion products close to the boundary layer through the use of Computational Fluid Dynamics (CFD) modeling. The …

Development Of A Systems Engineering Model Of The Chemical Separations Process, Yitung Chen, Darrell Pepper, Randy Clarksean

Separations Campaign (TRP)

Two activities are proposed: the development of a systems engineering model and the refinement of the Argonne code AMUSE (Argonne Model for Universal Solvent Extraction). The detailed systems engineering model will be the start of an integrated approach to the analysis of the materials separations associated with the AAA Program. A second portion of the project will streamline and improve an integral part of the overall systems model, which is the software package AMUSE. AMUSE analyzes the UREX process and other related solvent extraction processes and defines many of the process streams that are integral to the systems engineering model. …

Development Of A Systems Engineering Model Of The Chemical Separations Process: Quarterly Progress Report 2/16/02- 5/15/02, Yitung Chen, Randy Clarksean, Darrell Pepper

Separations Campaign (TRP)

Two activities are proposed in this Phase I task: the development of systems engineering model and the refinement of the Argonne code AMUSE (Argonne Model for Universal Solvent Extraction). The detailed systems engineering model is the start of an integrated approach to the analysis of the materials separations associated with the AAA Program. A second portion of the project is to streamline and improve an integral part of the overall systems model, which is the software package AMUSE. AMUSE analyzes the UREX process and other related solvent extraction processes and defines many of the process streams that are integral to …

Photoexcitation Of A Dipole-Forbidden Resonance In Helium, B. Krassig, E. P. Kanter, S. H. Southworth, Renaud Guillemin, Oliver Hemmers, Dennis W. Lindle, R. Wehlitz, N. L. S. Martin

Environmental Studies Faculty Publications

We have observed photoexcitation of the dipole-forbidden 1s²¹S₀→2p²¹D₂ resonance in helium by measuring the nondipolar forward-backward asymmetry of photoelectron angular distributions in the 2ℓ2ℓ^′ autoionizing region. By exploiting the electric dipole-quadrupole interference in the excitation of both the 2s2p¹P₁ and 2p²¹D₂ levels, we have observed the quadrupole resonance in photoabsorption and extracted its Fano line shape parameters and the relative phase of the 1sEp and 1sEd continua. We find the quadrupole line profile index q₂ to be markedly different from theoretical expectations.

Nuclear Criticality Analyses Of Separations Processes For The Transmutation Fuel Cycle: Quarterly Report, William Culbreth, Pang Tao

Separations Campaign (TRP)

During the first two quarters of the work, the tasks included training students in the use of Monte Carlo codes used in radiation transport studies and the assessment of neutron multiplication factors for specific problems outlined by ANL-East through Drs. Laidler and Vandegrift.

The proposal also included objectives for the first year of work on this project, as listed below. The work conducted in the second quarter of the project was in partial completion of these objectives.

• Train UNLV students in the use of SCALE and/or MCNP for the assessment of nuclear criticality.

• Assess neutron multiplication factor, k …

University Of Nevada, Las Vegas Advanced Accelerator Applications University Participation Program: Quarterly Report Fourth Quarter (December 2001 To February 2002), Anthony Hechanova

Transmutation Research Program Reports (TRP)

This Quarterly Report is a primary deliverable from the University of Nevada, Las Vegas (UNLV) Advanced Accelerator Applications (AAA) University Participation Program (UPP) Director to the U.S. Department of Energy (DOE) as described in the UNLV AAA proposal and Statement of Work for the Fourth Quarter.

The UNLV AAA UPP Director implements the program’s administration using staff from the Harry Reid Center for Environmental Studies (HRC) to ensure that work conducted under the UNLV AAA UPP meets program objectives. The UNLV AAA program consists of three components: Program Support, Research Infrastructure Augmentation, and Student Research.

Environment-Induced Degradation And Crack-Growth Studies Of Candidate Target Materials: Aaa Task-4 Quarterly (December 1, 2001 – February 28, 2002) Report, Ajit K. Roy, Brendan O'Toole

Transmutation Sciences Materials (TRP)

The primary objective of this task is to evaluate the effect of hydrogen on environment-assisted cracking of candidate 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 are martensitic stainless steels including HT- 9, EP 823 and 422. The susceptibility to stress corrosion cracking (SCC) and hydrogen embrittlement (HE) of these alloys will be evaluated in environments of interest using tensile specimens under constant load and slow-strain-rate (SSR) conditions. The extent and morphology of cracking of these alloys will further be evaluated …

Third Quarter Report, Covering January Through March 2002, John Farley

Transmutation Sciences Materials (TRP)

Progress from June 2001-November 2001 was presented at the winter meeting of the American Nuclear Society in Reno (November 12-15, 2001), and incorporated into a refereed conference proceeding. A copy of the refereed conference proceeding has been provided to Tony Hechanova. In brief, the paper described the new program to examine the corrosive effects of lead-bismuth eutectic (LBE) on steels. We employed various types of surface studies (Scanning Electron Microscope [SEM], and X-ray Photoelectron Spectrometry [XPS]) to examine steel samples that had been exposed to LBE for various lengths of time at various temperatures. The goal is to understand the …

Inside Unlv, Diane Russell, Betty Blodgett, Kevin Force, Jennifer Vaughan, Cate Weeks, Jonathan Paver

Inside UNLV

No abstract provided.

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics: Quarterly Progress Report 11/16/01- 2/15/02, 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 AAA 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 very limited density. The transport of oxygen and corrosion products, their interaction and variation of corrosion/precipitation along the flow are not well understood.

The first subtask of this project involves using a …

Development Of A Systems Engineering Model Of The Chemical Separations Process: Quarterly Progress Report 11/16/01- 2/15/02, Yitung Chen, Randy Clarksean, Darrell Pepper

Separations Campaign (TRP)

The AAA program is developing technology for the transmutation of nuclear waste to address many of the long-term disposal issues. An integral part of this program is the proposed chemical separations scheme.

Two activities are proposed in this Phase I task: the development of systems engineering model and the refinement of the Argonne code AMUSE (Argonne Model for Universal Solvent Extraction). The detailed systems engineering model is the start of an integrated approach to the analysis of the materials separations associated with the AAA Program. A second portion of the project is to streamline and improve an integral part of …

Hydrogen-Induced Embrittlement Of Candidate Target Materials For Applications In Spallation-Neutron-Target Systems, Ajit K. Roy, Brendan O'Toole

Transmutation Sciences Materials (TRP)

The purpose of this project is to evaluate the effect of hydrogen on cracking of candidate target materials for applications in spallation-neutron-target (SNT) systems such as accelerator production of tritium (APT) and accelerator transmutation of waste (ATW). The test materials will undergo appropriate thermal treatments prior to being hydrogen-charged by potentiostatic cathodic polarization technique in a simulated aqueous environment at different temperatures of interest. The specimens, upon completion of testing, will be metallographically examined. Further, the scanning electron microscopy (SEM) will be used to determine the extent and nature of cracking in the specimens tested. The thrust of the proposed …

Biological Reduction Of Perchlorate In Ion Exchange Regenerant Solutions Containing High Salinity And Ammonium Levels, Tina M. Gingras, Jacimaria R. Batista

Civil and Environmental Engineering and Construction Faculty Research

The most promising technologies to remove perchlorate from water are ion exchange and biological reduction. Although successful, ion exchange only separates perchlorate from water; it does not eliminate it from the environment. The waste streams from these systems contain the caustic or saline regenerant solutions used in the process as well as high levels of perchlorate. Biological reduction could be used to treat the regenerant waste solutions from the ion exchange process. A treatment scheme, combining ion exchange and biodegradation, is proposed to completely remove perchlorate from the environment. Perchlorate-laden resins generate brines containing salt concentrations up to 6% or …

University Of Nevada, Las Vegas Transmutation Research Program Annual Report 2001, Anthony Hechanova, Elizabeth Johnson, Gary Cerefice

Transmutation Research Program Reports (TRP)

The UNLV Transmutation Research Program was established in March 2001 as part of the national Advanced Accelerator Applications program to develop the technologies necessary for the ecological and economical treatment of spent nuclear fuel.

The primary role of the UNLV program in the national effort is the training of graduate and undergraduate students in nuclear engineering and other related fields to support the augmentation of the U.S. human infrastructure for transmutation technologies.

To accomplish this role, UNLV has developed the TRP with the primary focus of supporting student research into transmutation and supporting technologies. This focus is realized through the …

Experimental Investigation Of Steel Corrosion In Lead Bismuth Eutectic (Lbe): Characterization, Species Identification, And Chemical Reactions, John Farley, Dale L. Perry, Allen L. Johnson

Transmutation Sciences Materials (TRP)

The goal of the present research is to achieve a basic understanding of corrosion of steels by Lead Bismuth Eutectic (LBE). Liquid LBE is under consideration in the transmuter as both a spallation target and as a blanket coolant. There have been previous studies of LBE, especially by the Russians, who have over 80 reactor-years experience with LBE coolant in their Alpha-class submarine reactors. However, a fundamental understanding and verification of its role in the corrosion of steels is still very incomplete. We have begun a program of post-experiment testing and analysis on steel samples that have been in intimate …

Corrosion Of Steel By Lead Bismuth Eutectic, John Farley, Dale L. Perry, Allen L. Johnson

Transmutation Sciences Materials (TRP)

This research program will analyze various steel samples that have been exposed to LBE as part of the national program to develop LBE and transmutation technologies. This information will be paramount in developing engineering efforts to control, avoid, and/or minimize the effect of corrosion of steels by LBE in transmuter and LBE systems. Additionally, this program provides UNLV researchers with hands-on experience that will be crucial in developing the UNLV LBE program, supporting the University’s mission with the ISTC target complex, and the future development of additional facilities to examine LBE systems.

The research group plans to test the hypothesis …

Corrosion Of Steel By Lead Bismuth Eutectic: Year 1 Annual Report, John Farley

Transmutation Sciences Materials (TRP)

The goal is to investigate the corrosion of stainless steel by lead-bismuth eutectic (LBE), which has been proposed for use as a blanket coolant and a spallation target in the transmuter.

Hydrogen-Induced Embrittlement Of Candidate Target Materials For Applications In Spallation-Neutron-Target Systems, Ajit K. Roy, Brendan O'Toole, Zhiyong Wang, David W. Hatchett

Transmutation Sciences Materials (TRP)

Spallation-neutron-sources, such as those under investigation for use in accelerator-driven transmutation systems, generate neutrons through the collision of high-energy protons, or charged hydrogen atoms, with heavy metal targets such as lead. As a result, these systems also tend to deposit a significant amount of hydrogen in the materials of the transmuter target and superstructure. This can result in accelerated corrosion and changes in the properties of the exposed materials. Of particular importance is a phenomenon called hydrogen embrittlement, in which materials lose their ductility (ability to deform under stress) and become brittle (more susceptible to fracture) after reacting with hydrogen. …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics: Task V 4th Quarterly Report, Samir Moujaes

Transmutation Sciences Materials (TRP)

The project is moving on target with the newly realigned objective set for the Phase I. Through close communications with Dr. Li and Dr. Jinsuo Zhang from LANL a realignment of the simulation work has been recommended. The reason for that is the vendor of STAR-CD/CHEMKIN had not perfected yet the final coupling of the post processing of output for any potential surface chemistry reaction taking place on the inside pipe surface of the LBE loop. This is because the coupling of CHEMKIN and STAR-CD has been done fairly recently.

Our final effort has been to generate using an innovative …

Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics, Samir Moujaes, Yitung Chen

Transmutation Sciences Materials (TRP)

Many of the international efforts to develop transmutation technology, including the U.S., Russian, and European scientific communities, have determined that lead bismuth eutectic (LBE) is a potential material for use as a both a spallation target and a coolant. To exploit this potential, a more thorough understanding of the effect and rates of corrosion on steels, particularly non-Russian alloys, inside the LBE systems is required. Properly controlling the oxygen content in LBE systems has been observed to drastically reduce the corrosion of structural steels in LBE. However, the transport of oxygen and formation of corrosion products is not well understood; …

Development Of Dose Conversion Coefficients For Radionuclides Produced In Spallation Neutron Sources, Phillip W. Patton, Mark Rudin

Transmutation Sciences Physics (TRP)

For the first year of this effort, the UNLV research team set out four objectives. First, the university and laboratory consortium had to be established. This consortium was tasked with helping to determine the methodology for determining the dose coefficients, and to ensure that the resulting DCs will be of use to the national programs developing accelerator-driven nuclear systems (such as the SNS or an accelerator-driven transmutation system) and to the health physics community as a whole. The second goal of this program was to determine a methodology and then prioritize the radionuclides so that the research effort would address …

Development Of Dose Coefficients For Radionulides Produced In Spallation Neutron Sources: Annual Report, Phillip W. Patton, Mark Rudin

Transmutation Sciences Physics (TRP)

The University of Nevada, Las Vegas (UNLV) Transmutation Research Program has been tasked to support U.S. Department of Energy (DOE) efforts to assess the health risks associated with the operation of each of their accelerator-driven nuclear facilities for both NEPA and PSAR development. Quantifying the radiological risks to workers will have to be addressed during the design and siting of each of these facilities. U.S. Environmental Protection Agency (EPA) Federal Guidance Report No. 11 “Limiting Values of Intake and Air Concentration and Dose Conversion Factors for Inhalation, Submersion, and Ingestion”, developed two derived guides, Annual Limit on Intake (ALI) and …

Nuclear Criticality, Shielding, And Thermal Analyses Of Separations Processes For The Transmutation Fuel Cycle, William Culbreth, Denis Beller

Separations Campaign (TRP)

The remediation of nuclear waste created by conventional fission reactors will rely upon the separation of the waste products for further treatment. The UREX+ process now under review will involve the use of an aqueous chemical process to separate out depleted uranium resulting in a product containing minor actinides, fission products, cesium, strontium, technetium, and iodine. The radioactive decay of strontium and cesium produces roughly half of the thermal and gamma production in spent fuel and the relatively short halflife of isotopes of both of these elements requires storage for about 300 years before heat and radiation decreases to safe …

Nuclear Criticality Analyses Of Separations Processes For The Transmutation Fuel Cycle, William Culbreth, Pang Tao, Denis Beller

Separations Campaign (TRP)

The separation and partitioning of used commercial reactor fuel is a vital component of any reprocessing or transmutation strategy. To process the high actinide fuels required for a transmutation effort, the Chemical Technology Division (CMT) at Argonne National Laboratory (ANL) is developing a pyrochemical separations process. Currently, this work is being done via small experiments. While this is more than sufficient to develop the technologies required to process actinide-bearing fuels, it does not allow for the direct investigation of criticality concerns that would be present in larger systems. As the volume of waste to be treated increases, a higher probability …

Nuclear Criticality Analyses Of Separations Processes For The Transmutation Fuel Cycle: Quaterly Report, William Culbreth, Pang Tao

Separations Campaign (TRP)

During the first quarter of the work, the tasks included training students in the use of Monte Carlo codes used in radiation transport studies and the assessment of neutron multiplication factors for specific problems outlined by ANL-East through Drs. Laidler and Vandegrift.

The proposal also included objectives for the first year of work on this project, as listed below. The work conducted in the first quarter of the project was in partial completion of these objectives.

• Train UNLV students in the use of SCALE and/or MCNP for the assessment of nuclear criticality.

• Assess neutron multiplication factor, k_{eff …}