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Comprehensive Mechanisms for Combustion Chemistry: An Experimental and Numerical Study with Emphasis on Applied Sensitivity Analysis

Description: This project was an integrated experimental/numerical effort to study pyrolysis and oxidation reactions and mechanisms for small-molecule hydrocarbon structures under conditions representative of combustion environments. The experimental aspects of the work were conducted in large-diameter flow reactors, at 0.3 to 18 atm pressure, 500 to 1100 K temperature, and 10<SUP>-2</SUP> to 2 seconds reaction time. Experiments were also conducted to determine reference laminar flame speeds using a premixe… more
Date: April 10, 2009
Creator: Dryer, Frederick L.
Partner: UNT Libraries Government Documents Department
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Final Technical Report, Grant DE-FG02-87ER13714, "Fundamental Studies of Metastable Liquids"

Description: Grant DE-FG02-87ER13714 supported fundamental work on the physical properties of metastable liquids from 6/1/87 to 4/30/08. Renewal proposals were submitted every three years (1990, 1993, 1996, 1999, 2002, 2005), and included, in every case, a detailed Final Technical Report on the previous three years. Accordingly, the bulk of this report covers the final 2-year period 5/1/06 to 4/30/08 of this grant, which is not covered in any of the previous Final Technical Reports. This is preceded by a br… more
Date: March 9, 2009
Creator: Debenedetti, Pablo G.
Partner: UNT Libraries Government Documents Department
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Molecular Simulation of Phase Equilibria for Complex Fluids

Description: The general area of this project was the development and application of novel molecular simulation methods for prediction of thermodynamic and structural properties of complex polymeric, surfactant and ionic fluids. Over this project period, we have made considerable progress in developing novel algorithms to meet the computational challenges presented by the strong or long-range interactions in these systems and have generated data for well-defined mod-els that can be used to test theories and… more
Date: September 9, 2009
Creator: Panagiotopoulos, Athanassios Z.
Partner: UNT Libraries Government Documents Department
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Final Report US Department of Energy DE-FG02-99ER45797

Description: This grant focused on atomistic studies of the dynamics of grain boundaries in metals performed largely using molecular dynamics simulations. One of the foci of this period was on the appropriate thermodynamics � in particular the grain boundary stiffness. We worked with a group of researchers at Carnegie Mellon University to make a comparison between grain growth simulations using our grain boundary thermodynamics data and experiments. A separate focus of the supported research looked at shear… more
Date: February 22, 2013
Creator: Srolovitz, David J. & Haataja, Mikko
Partner: UNT Libraries Government Documents Department
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Systematic Effects in Type-1a Supernovae Surveys from Host Galaxy Spectra

Description: The physical relation between the properties of Type Ia supernovae and their host galaxies is investigated. Such supernovae are used to constrain the properties of dark energy, making it crucial to understand their physical properties and to check for systematic effects relating to the stellar populations of the progenitor stars from which these supernovae arose. This grant found strong evidence for two distinct populations of supernovae, and correlations between the progenitor stellar populati… more
Date: August 23, 2013
Creator: Strauss, Michael A.
Partner: UNT Libraries Government Documents Department
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Reduction and Reoxidation of Soils During & After Uranium Bioremediation; Implications for Long-Term Uraninite Stability & Bioremediation Scheme Implementation

Description: This research focuses on the conditions and rates under which uranium will be remobilized after it has been precipitated biologically, and what alterations can be implemented to increase its long-term stability in groundwater after the injection of an electron donor has been discontinued. Furthermore, this research addresses short-term iron reoxidation as a mechanism to enhance/extend uranium bioremediation under iron reduction, without its remobilization. The research to date has focused on lo… more
Date: June 1, 2005
Creator: Jaffe, Peter R.
Partner: UNT Libraries Government Documents Department
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Is Geothermal Simulation a "Catastrophe"?

Description: All numerical simulators of geothermal reservoirs depend upon an accurate representation of the thermodynamics of steam-water systems. These relationships are required to render tractable the system of balance equations derived from the physics of flow through porous media. While it is generally recognized that the steam-water system (i.e. two phase) is not in thermodynamic equilibrium, equihbrium thermodynamics are employed in its description. In this paper, we present an alternative view base… more
Date: December 16, 1980
Creator: Nguyen, V.V. & Pinder, George F.
Partner: UNT Libraries Government Documents Department
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Algorithmic Techniques for Massive Data Sets

Description: This report describes the progress made during the Early Career Principal Investigator (ECPI) project on Algorithmic Techniques for Large Data Sets. Research was carried out in the areas of dimension reduction, clustering and finding structure in data, aggregating information from different sources and designing efficient methods for similarity search for high dimensional data. A total of nine different research results were obtained and published in leading conferences and journals.
Date: April 3, 2006
Creator: Charikar, Moses
Partner: UNT Libraries Government Documents Department
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Conceptual Design of Optimized Fossil Energy Systems with Capture and Sequestration of Carbon Dioxide

Description: In this final progress report, we describe research results from Phase I of a technical/economic study of fossil hydrogen energy systems with CO{sub 2} sequestration. This work was performed under NETL Award No. DE-FC26-02NT41623, during the period September 2002 through August 2005 The primary objective of the study is to better understand system design issues and economics for a large-scale fossil energy system co-producing H{sub 2} and electricity with CO{sub 2} sequestration. This is accomp… more
Date: November 29, 2005
Creator: Ogden, Joan M.
Partner: UNT Libraries Government Documents Department
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Precipitation and Deposition of Aluminum-Containing Phases in Tank Wastes

Description: In the first phase of our study, we focused on the use of simple organics to raise the solubility of aluminum oxyhydroxides in high alkaline aqueous solvents. In a limited survey of common organic acids, we determined that citric acid had the highest potential to achieve our goal. However, our subsequent investigation revealed that the citric acid appeared to play two roles in the solutions: first, raising the concentration of aluminum in highly alkaline solutions by breaking up or inhibiting '… more
Date: December 1, 2005
Creator: Dabbs, Daniel M. & Aksay, I. A.
Partner: UNT Libraries Government Documents Department
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High-Flux Heat Transfer Studies: An Analytical Investigation of Laminar Film Boiling

Description: An analysis was made of siable, laminar, free convection, film boiling from isothermal vertical plates and horizontal cylinders surrounded by a saturated liquid, where radiation was only of minor importance. The mathematical techniques of boundary layer theory were used and the boundary layer equations were reduced to ordinary differential equations by means of a transformation similar to those used in free convection and condensation. The equations were solved for: (1) compressible flow with v… more
Date: October 1, 1959
Creator: McFadden, P. W. & Grosh, R. J.
Partner: UNT Libraries Government Documents Department
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Precipitation and Deposition of Aluminum-Containing Phases in Tank Wastes

Description: Aluminum-containing phases compose the bulk of solids precipitating during the processing of radioactive tank wastes. Processes designed to minimize the volume of high-level waste through conversion to glassy phases require transporting waste solutions near-saturated with aluminum-containing species from holding tank to processing center. The uncontrolled precipitation within transfer lines results in clogged pipes and lines and fouled ion exchangers, with the potential to shut down processing … more
Date: January 12, 2005
Creator: Dabbs, Daniel M. & Aksay, Ilhan A.
Partner: UNT Libraries Government Documents Department
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Coarse-Grid Simulation of Reacting and Non-Reacting Gas-Particle Flows

Description: Many processes involved in coal utilization involve handling of fine particles, their pneumatic transport, and their reactions in fluidized beds, spouted beds and circulating fluidized beds. One of the factors limiting our ability to simulate these processes is the hydrodynamics encountered in them. Two major issues that contribute to this limitation are lack of good and computationally expedient models for frictional interaction between particles, and models to capture the consequences of meso… more
Date: October 2004
Creator: Sundaresan, Sankaran
Partner: UNT Libraries Government Documents Department
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CONCEPTUAL DESIGN OF OPTIMIZED FOSSIL ENERGY SYSTEMS WITH CAPTURE AND SEQUESTRATION OF CARBON DIOXIDE

Description: In this third semi-annual progress report, we describe research results from an ongoing study of fossil hydrogen energy systems with CO{sub 2} sequestration. This work was performed under NETL Award No. DE-FC26-02NT41623, during the six-month period September 2003 through March 2004. The primary objective of the study is to better understand system design issues and economics for a large-scale fossil energy system co-producing H{sub 2} and electricity with CO{sub 2} sequestration. This is accom… more
Date: May 1, 2004
Creator: Ogden, Joan M.
Partner: UNT Libraries Government Documents Department
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Contaminant Organic Complexes: Their Structure and Energetics in Surface Decontamination Processes

Description: Siderophores are biological macromolecules (400-2000 Da) released by bacteria in iron limiting situations to sequester Fe from iron oxyhydroxides and silicates in the natural environment. These molecules contain hydroxamate and phenolate functional groups, and exhibit very high affinity for Fe{sup 3+}. While several studies were conducted to understand the behavior of siderophores and their application to the metal sequestration and mineral dissolution, only a few of them have examined the mole… more
Date: December 13, 2005
Creator: Myneni, Satish C. B.
Partner: UNT Libraries Government Documents Department
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COARSE-GRID SIMULATION OF REACTING AND NON-REACTING GAS-PARTICLE FLOWS

Description: The principal goal of this project, funded under the ''DOE Vision 21 Virtual Demonstration Initiative'' is virtual demonstration of circulating fluidized bed performance. We had proposed a ''virtual demonstration tool'', which is based on the open-domain CFD code MFIX. The principal challenge funded through this grant is to devise and implement in this CFD code sound physical models for the rheological characteristics of the gas-particle mixtures. Within the past year, which was the third year … more
Date: March 2004
Creator: Sundaresan, Sankaran
Partner: UNT Libraries Government Documents Department
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CONCEPTUAL DESIGN OF OPTIMIZED FOSSIL ENERGY SYSTEMS WITH CAPTURE AND SEQUESTRATION OF CARBON DIOXIDE

Description: In this second semi-annual progress report, we describe research results from an ongoing study of fossil hydrogen energy systems with CO{sub 2} sequestration. This work was performed under NETL Award No. DE-FC26-02NT41623, during the six-month period March 2003 through September 2003. The primary objective of the study is to better understand system design issues and economics for a large-scale fossil energy system co-producing H{sub 2} and electricity with CO{sub 2} sequestration. This is acco… more
Date: December 2003
Creator: Ogden, Joan M.
Partner: UNT Libraries Government Documents Department
open access

CONCEPTUAL DESIGN OF OPTIMIZED FOSSIL ENERGY SYSTEMS WITH CAPTURE AND SEQUESTRATION OF CARBON DIOXIDE

Description: In this semi-annual progress report, we describe research results from an ongoing study of fossil hydrogen energy systems with CO{sub 2} sequestration. This work was performed under NETL Award No. DE-FC26-02NT41623, during the six-month period September 2002 through March 2003. The primary objective of the study is to better understand system design issues and economics for a large-scale fossil energy system co-producing H{sub 2} and electricity with CO{sub 2} sequestration. This is accomplishe… more
Date: June 26, 2003
Creator: Ogden, Joan M.
Partner: UNT Libraries Government Documents Department
open access

Corridor One: An Integrated Distance Visualization Environment for SSI and ASCI Applications

Description: The Corridor One project is a three-year integrated research project that combines the forces of six leading-edge laboratory and university groups working in the area of visualization, distributed computing and high-performance networking to develop and to deploy the most advanced, integrated distance visualization environment.
Date: July 15, 1999
Creator: Li, K.; Finkelstein, A. & Funkhouser, T.
Partner: UNT Libraries Government Documents Department
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