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Final Technical Report for grant entitled "New Horizons in C-F Activation by Main Group Electrophiles"

Description: We became interested in developing new methods for hydrodefluorination (HDF) and other types of C-F bond conversion in polyfluoroalkanes under mild conditions. We were attracted to an approach to C-F activation, where the key C-F cleavage proceeds by a Lewis acid abstraction of fluoride rather than a redox event. The efforts during the previous period were aimed at a) advancing the HDF reactivity with improvement in scope and catalyst longevity; b) extending C-F activation beyond HDF; c) genera… more
Date: January 16, 2014
Creator: Ozerov, Oleg V & Ozerov, Oleg V.
Partner: UNT Libraries Government Documents Department
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Understanding Fundamental Material Degradation Processes in High Temperature Aggressive Chemomechanical Environments

Description: The objective of this project is to develop a fundamental understanding of the mechanisms that limit materials durability for very high-temperature applications. Current design limitations are based on material strength and corrosion resistance. This project will characterize the interactions of high-temperature creep, fatigue, and environmental attack in structural metallic alloys of interest for the very high-temperature gas-cooled reactor (VHTR) or Next–Generation Nuclear Plant (NGNP) and fo… more
Date: January 16, 2014
Creator: Stubbins, James; Gewirth, Andrew; Sehitoglu, Huseyin; Sofronis, Petros & Robertson, Ian
Partner: UNT Libraries Government Documents Department
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Dynamic (G2) Model Design Document, 24590-WTP-MDD-PR-01-002, Rev. 12

Description: The Hanford Tank Waste Treatment and Immobilization Plant (WTP) Statement of Work (Department of Energy Contract DE-AC27-01RV14136, Section C) requires the contractor to develop and use process models for flowsheet analyses and pre-operational planning assessments. The Dynamic (G2) Flowsheet is a discrete-time process model that enables the project to evaluate impacts to throughput from eventdriven activities such as pumping, sampling, storage, recycle, separation, and chemical reactions. The m… more
Date: December 16, 2013
Creator: Deng, Yueying & Kruger, Albert A.
Partner: UNT Libraries Government Documents Department
open access

Engineering Ralstonia eutropha for Production of Isobutanol (IBT) Motor Fuel from Carbon Dioxide, Hydrogen, and Oxygen Project Final Report

Description: This research project is a collaboration between the Sinskey laboratory at MIT and the Worden laboratory at Michigan State University. The goal of the project is to produce Isobutanol (IBT), a branched-chain alcohol that can serve as a drop-in transportation fuel, through the engineered microbial biosynthesis of Carbon Dioxide, Hydrogen, and Oxygen using a novel bioreactor. This final technical report presents the findings of both the biological engineering work at MIT that extended the native … more
Date: December 16, 2013
Creator: Sinskey, Anthony J.; Worden, Robert Mark; Brigham, Christopher; Lu, Jingnan; Quimby, John Westlake; Gai, Claudia et al.
Partner: UNT Libraries Government Documents Department
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Halide, Chromate, and Phosphate Impacts on LAW Glass for Dynamic Flowsheet 24590-WTP-MCR-PET-09-0037, Rev. 1

Description: Revision 1 of this Model Change Request changed Equation 6 in Attachment Al only. Melter studies have shown that halide, chromium, and phosphates can cause precipitation of solids that can interfer the melting process. Pilot melter data now shows what concentrations LAW glass can tolerate. These limits shall be incorporated into the existing LAW glass algorithm per Attachment Al.
Date: December 16, 2013
Creator: Gimpel, Rodney F. & Kruger, Albert A.
Partner: UNT Libraries Government Documents Department
open access

A Possible Dechirper Device for the LCLS and LCLS-II

Description: No Description Available.
Date: December 16, 2013
Creator: Bane, K.; Emma, P.; Huang, Z.; Iverson, R.; Raubenheimer, T.; Stupakov, G. et al.
Partner: UNT Libraries Government Documents Department
open access

WTP Calculation Sheet: Determining the LAW Glass Former Constituents and Amounts for G2 and Acm Models. 24590-LAW-M4C-LFP-00002, Rev. B

Description: The purpose of this calculation is to determine the LAW glass former recipe and additives with their respective amounts. The methodology and equations contained herein are to be used in the G2 and ACM models until better information is supplied by R&T efforts. This revision includes calculations that determines the mass and volume of the bulk chemicals/minerals needed per batch. Plus, it contains calculations (for the G2 model) to help prevent overflow in LAW Feed Preparation Vessel.
Date: December 16, 2013
Creator: Gimpel, Rodney F. & Kruger, Albert A.
Partner: UNT Libraries Government Documents Department
open access

The role of nanopores on U(VI) sorption and redox behavior in U(VI)-contaminated subsurface sediments

Description: Most reactive surfaces in clay-dominated sediments are present within nanopores (pores of nm dimension). The behavior of geological fluids and minerals in nanopores is significantly different from those in normal non-nanoporous environments. The effect of nanopore surfaces on U(VI) sorption/desorption and reduction is likely to be significant in clay-rich subsurface environments. Our research results from both model nanopore system and natural sediments from both model system (synthetic nanopor… more
Date: October 16, 2013
Creator: Xu, Huifang; Roden, Eric E.; Kemner, Kenneth M.; Jung, Hun-Bok; Konishi, Hiromi; Boyanov, Maxim et al.
Partner: UNT Libraries Government Documents Department
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Simulation Analyses in Support of DOE’s Fossil Fuel Rule for Single Component Equipment and Lighting Replacements

Description: At the request of DOE’s Federal Energy Management Program (FEMP), Pacific Northwest National Laboratory (PNNL) conducted a series of building energy simulations using a large office model to investigate the potential savings that could be accrued from a typical chiller, boiler, or lighting replacement in a Federal office building.
Date: October 16, 2013
Creator: Halverson, Mark A. & Wang, Weimin
Partner: UNT Libraries Government Documents Department
open access

Accurate Numerical Simulations Of Chemical Phenomena Involved in Energy Production and Storage with MADNESS and MPQC: ALCF-2 Early Science Program Technical Report

Description: This report describes the interfacing of Eigen3 as C++ Substitute of LACKPACK and introduces elemental for the diagonalization of large matrices.
Date: September 16, 2013
Creator: Harrison, R.J.; Vzquez-Mayagoitia, A.; Hammond, J.R. (LCF) & University), (Stony Brook
Partner: UNT Libraries Government Documents Department
open access

BioCat 2.0

Description: The U.S. Department of Homeland Security (DHS) National Biosurveillance Integration Center (NBIC) was established in 2008 with a primary mission to “(1) enhance the capability of the Federal Government to (A) rapidly identify, characterize, localize, and track a biological event of national concern by integrating and analyzing data relating to human health, animal, plant, food, and environmental monitoring systems (both national and international); and (B) disseminate alerts and other informati… more
Date: September 16, 2013
Creator: Corley, Courtney D.; Noonan, Christine F.; Bartholomew, Rachel A.; Franklin, Trisha L.; Hutchison, Janine R.; Lancaster, Mary J. et al.
Partner: UNT Libraries Government Documents Department
open access

Commercial Building Partnerships Replication and Diffusion

Description: This study presents findings from survey and interview data investigating replication efforts of Commercial Building Partnership (CBP) partners that worked directly with the Pacific Northwest National Laboratory (PNNL). PNNL partnered directly with 12 organizations on new and retrofit construction projects, which represented approximately 28 percent of the entire U.S. Department of Energy (DOE) CBP program. Through a feedback survey mechanism, along with personal interviews, PNNL gathered quant… more
Date: September 16, 2013
Creator: Antonopoulos, Chrissi A.; Dillon, Heather E. & Baechler, Michael C.
Partner: UNT Libraries Government Documents Department
open access

FINAL SUMMARIZING REPORT on Grant DE-SC0001014 "Separation of Highly Complex Mixtures by Two-dimension Liquid Chromatography"

Description: The goal of our research was a fundamental investigation of methods available for the coupling of two separate chromatographic separations that would considerably enhance the individual separation power of each of these two separations. This gain arises from the combination of two independent retention mechanisms, one of them separating the components that coelute on the other column, making possible the separation of many more compounds in a given time. The two separation mechanisms used must … more
Date: September 16, 2013
Creator: Guiochon, Georges
Partner: UNT Libraries Government Documents Department
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New MEA Materials for Improved DMFC Performance, Durability and Cost

Description: Abstract Project Title: New MEA Materials for Improved DMFC Performance, Durability and Cost The University of North Florida (UNF)--with project partners the University of Florida, Northeastern University, and Johnson Matthey--has recently completed the Department of Energy (DOE) project entitled “New MEA Materials for Improved DMFC Performance, Durability and Cost”. The primary objective of the project was to advance portable fuel cell MEA technology towards the commercial targets as laid out … more
Date: September 16, 2013
Creator: Fletcher, James H.; Campbell, Joseph L.; Cox, Philip & Harrington, William J.
Partner: UNT Libraries Government Documents Department
open access

PRELIMINARY DATA REPORT: HUMATE INJECTION AS AN ENHANCED ATTENUATION METHOD AT THE F-AREA SEEPAGE BASINS, SAVANNAH RIVER SITE

Description: A field test of a humate technology for uranium and I-129 remediation was conducted at the F-Area Field Research Site as part of the Attenuation-Based Remedies for the Subsurface Applied Field Research Initiative (ABRS AFRI) funded by the DOE Office of Soil and Groundwater Remediation. Previous studies have shown that humic acid sorbed to sediments strongly binds uranium at mildly acidic pH and potentially binds iodine-129 (I-129). Use of humate could be applicable for contaminant stabilization… more
Date: September 16, 2013
Creator: Millings, M.
Partner: UNT Libraries Government Documents Department
open access

REDUCTIONS WITHOUT REGRET: SUMMARY

Description: This paper briefly summarizes the series in which we consider the possibilities for losing, or compromising, key capabilities of the U.S. nuclear force in the face of modernization and reductions. The first of the three papers takes an historical perspective, considering capabilities that were eliminated in past force reductions. The second paper is our attempt to define the needed capabilities looking forward in the context of the current framework for force modernization and the current pictu… more
Date: September 16, 2013
Creator: Swegle, J. & Tincher, D.
Partner: UNT Libraries Government Documents Department
open access

Transforming Markets for Energy-Efficient Buildings in China: Final Report on Activity Conducted by the Institute for Market Transformation (IMT) Under Cooperative Agreement DE-FC01-00EE10672 with the U.S. Department of Energy (DOE)

Description: This report summarizes activity conducted by the Institute for Market Transformation and a team of American and Chinese partners in development of a new building energy-efficiency code for the transitional climate zone in the People's Republic of China.
Date: September 16, 2013
Creator: Chao, Mark
Partner: UNT Libraries Government Documents Department
open access

Final Report on the “New Directions in the Variational Multiscale Formulation of Large Eddy Simulation of Turbulence”

Description: In the report we present a summary of the new models and algorithms developed by the PI and the students supported by this grant. These developments are described in detail in ten peer-reviewed journal articles that acknowledge support from this grant.
Date: July 16, 2013
Creator: Oberai, Assad A.
Partner: UNT Libraries Government Documents Department
open access

INVESTIGATION INTO THE RATE OF TRIOCTYLAMINE PARTITIONING INTO THE MCU AQUEOUS PHASES

Description: The Savannah River National Laboratory (SRNL) has examined the issue of trioctylamine (TOA) losses at the Modular Caustic-Side Solvent Extraction Unit (MCU) solvent. For this study, SRNL used partitioning and radiolysis data from the Oak Ridge National Laboratory (ORNL) as well as actual MCU operational data. From the radiolysis data, SRNL prepared a model on the rate of TOA degradation. From the combined sets of data, SRNL has calculated the largest possible value of TOA (although this value i… more
Date: July 16, 2013
Creator: Peters, T. & Couture, A.
Partner: UNT Libraries Government Documents Department
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