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Modeling a set of heavy oil aqueous pyrolysis experiments

Description: Aqueous pyrolysis experiments, aimed at mild upgrading of heavy oil, were analyzed using various computer models. The primary focus of the analysis was the pressure history of the closed autoclave reactors obtained during the heating of the autoclave to desired reaction temperatures. The models used included a means of estimating nonideal behavior of primary components with regard to vapor liquid equilibrium. The modeling indicated that to match measured autoclave pressures, which often were we… more
Date: November 1, 1996
Creator: Thorsness, Charles B. & Reynolds, John G.
Partner: UNT Libraries Government Documents Department
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Oxidation of Phenolics in Supercritical Water. Combined Quarterly Technical Progress Report, December 1, 1995--May 31, 1996

Description: Over the past two quarters, our work has focused on three main areas. The first area of interest involved a reexamination of the rate laws that were formed in past quarters. A possible error was discovered for the analytical methods used in the o-cresol oxidation study and the data were corrected, yielding a new rate equation. The data for hydroxybenzaldehydes were studied again, this time as a system of parallel oxidation and thermolysis reactions. The second area in which progress was made wa… more
Date: November 1, 1996
Partner: UNT Libraries Government Documents Department
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Determination of the forms of nitrogen released in coal tar during rapid devolatilization

Description: The primary objective of this work is determined the forms of nitrogen in coal that lead to nitrogen release during devolatilization. Experiments are to be performed in two existing laminar flow reactors available at Brigham Young University, which are both capable of temperatures (up to 2000 K), particle heating rates (10{sup 4} to 10{sup 5} K/s), and residence times (up to 500 ms) relevant to conditions commonly encountered in industrial pulverized coal combustors. the forms of nitrogen in co… more
Date: October 31, 1996
Creator: Fletcher, T.H.
Partner: UNT Libraries Government Documents Department
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Development of a high-performance coal-fired power generating system with pyrolysis gas and char-fired high-temperature furnace (HITAF): Volume 4. Final report

Description: An outgrowth of our studies of the FWDC coal-fired high performance power systems (HIPPS) concept was the development of a concept for the repowering of existing boilers. The initial analysis of this concept indicates that it will be both technically and economically viable. A unique feature of our greenfields HIPPS concept is that it integrates the operation of a pressurized pyrolyzer and a pulverized fuel-fired boiler/air heater. Once this type of operation is achieved, there are a few differ… more
Date: May 1, 1996
Partner: UNT Libraries Government Documents Department
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High temperature size selective membranes. Final report, September 1992--March 1995

Description: Availability of a high temperature size selective membrane capable of separating hydrogen from carbon dioxide and other gases is seen as highly desirable from an economic perspective. Preparation of such a membrane is technically very difficult due to the limitations that the high temperature places on materials selection. We have prepared high temperature membranes as thin film composites of a porous Blackglas{trademark} support and a carbon molecular sieve selective film. Porous Blackglail{tr… more
Date: February 1, 1996
Partner: UNT Libraries Government Documents Department
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Extraction and analysis of pollutant organics from contaminated solids using off-line supercritical fluid extraction (SFE) and on-line SFE-infrared spectroscopy. Task 2. Semiannual report, November 1995--March 1996

Description: This document describes activities in the following tasks associated with a project on environmental management technology decontamination and commercialization: A commercialized version of a field-portable instrument for performing supercritical fluid extraction (SFE) with on-line Fourier transform infrared (FT-IR) detection;pyrolysis of plastic wastes associated with mixtures of radioactive wastes;management and reporting activities; centrifugal membrane filtration with application to tank wa… more
Date: April 1, 1996
Creator: Hawthorne, S.B.
Partner: UNT Libraries Government Documents Department
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Towards assessing the violence of reaction during cookoff of confined energetic materials

Description: An analysis of post-ignition events in a variable confinement cookoff test (VCCT) geometry is presented aimed toward predicting the level of violence during cookoff of confined thermally-degraded energetic materials. This study focuses on the dynamic events following thermal initiation whereby accelerated combustion interacts with confinement. Numerical simulations, based on a model of reactive multiphase mixtures, indicate that the response of energetic material is highly dependent upon therma… more
Date: November 1, 1996
Creator: Baer, M. R.; Kipp, M. E.; Schmitt, R. G. & Hobbs, M. L.
Partner: UNT Libraries Government Documents Department
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[Development, Implementation and Testing of Highly Efficient Algorithms for Evaluation and Analysis of Electronic Structures]. Progress Report, April 1, 1995--July 31, 1996

Description: This study has involved the following investigations: (1) Energetics and site specificity of the homolytic C-H bond cleavage in benzenoid hydrocarbons; (2) Nonclassical aryl radicals; (3) Regularities in energies and geometries of biaryls; (4) Energetics of homolytic C-H and C-Cl bond cleavages in polychlorobenzenes; and (5) Cyclodehydrogenation of 1-phenylnaphthalene to fluoranthene. Pyrolysis of simple polycyclic aromatic hydrocarbons (PAHs), which produces complex mixtures of biaryls, perico… more
Date: December 31, 1996
Creator: Cioslowski, J. & Moncrieeff, D.
Partner: UNT Libraries Government Documents Department
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Loss/gain on ignition test report

Description: Document provides the results of tests done on Product Cans from the HC-21C sludge stabilization process. Tests included running a simulated Thermogravimetric Analysis, TGA, on the processed material that have received Loss On Ignition (LOI) sample results that show a gain on ignition or a high LOI and reprocessing product cans with high LOIs. Also, boat material temperatures in the furnace were tracked during the testing.
Date: January 10, 1996
Creator: Winstead, M.L.
Partner: UNT Libraries Government Documents Department
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Maintenance of the coal sample bank and database. Quarterly report, October 1, 1995--December 31, 1995

Description: This five year project is intended to ensure the availability of well- characterized high-quality coal samples for public and private coal research. It continues support of the DOE Coal Sample Bank and Database at the Pennsylvania State University. Eleven coal samples will be collected, processed, packaged, and analyzed, and a resulting database will be maintained. these samples and data, as well as 45 samples collected under previous contract, will be distributed to DOE contractors and others … more
Date: March 22, 1996
Creator: Davis, A. & Glick, D. C.
Partner: UNT Libraries Government Documents Department
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Flamelet/flow interaction in premixed turbulent flames: simultaneous measurements of gas velocity and flamelet position

Description: An experimental technique for obtaining simultaneous measurements of fluid velocity and flamelet position in premixed flames is described and applied in a turbulent V-flame. The flamelet position information is used to calculate conditional velocity statistics, conditional on both zone (reactants or products) as well as conditional on distance from the flamelet. The conditional zone statistics demonstrate that increases (or decreases) in turbulence across the flame are dependent on axial positi… more
Date: December 1, 1996
Creator: Miles, P.C. & Gouldin, F.C.
Partner: UNT Libraries Government Documents Department
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Utilization of Lightweight Materials Made from Coal Gasificaiton Slags

Description: The integrated gasification combined-cycle (IGCC) coal conversion process has been demonstrated to be a clean, efficient, and environmentally acceptable method of generating power; however, it generates solid waste materials in relatively large quantities. For example, a 400-MW power plant using 4000 tons of 10% ash coal per day may generate over 440 tons/day of solid waste of slag, consisting of vitrified mineral matter and unburned carbon. The disposal of the wastes represents significant cos… more
Date: December 31, 1996
Creator: Choudhry, V. & Hadley, S.
Partner: UNT Libraries Government Documents Department
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The influence of precursor structure on the development of porosity in polymer-derived SiC

Description: Polymer-based routes to ceramic oxides take advantage of precursor chemistry and structure to produce materials with a range of pore sizes. Polymer precursor routes to non-oxide ceramics offer products with superior thermal and chemical stability in many cases. Polymethylsilane (PMS), a versatile cross linked SiC precursor, [(MeHSi){sub x}(MeSi){sub y}], was synthesized using published procedures to yield fluid precursors with a low (20--40%) degree of cross linking. Unique, highly cross linked… more
Date: July 1996
Creator: Nebo, J. F.; Scotto, C. S.; Bennett, C. A. & Brinker, C. J.
Partner: UNT Libraries Government Documents Department
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Controlling porosity in bridged polysilsesquioxanes through elimination reactions

Description: The retro Diels-Alder reaction was used to modify porosity in hydrocarbon-bridged polysilsesquioxane gels. Microporous polysilsesquioxanes incorporating a thermally labile Diels-Alder adduct as the hydrocarbon bridging group were prepared by sol-gel polymerization of trans-2,3-bis(triethoxysilyl)norbornene. Upon heating the 2,3-norbornenylene-bridges polymers at temperatures above 250 C, the norbornenylene-bridging group underwent a retro Diels-Alder reaction losing cyclopentadiene and leaving … more
Date: June 1, 1996
Creator: McClain, M.D.; Loy, D.A. & Prabakar, S.
Partner: UNT Libraries Government Documents Department
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Fabrication of SrCo{sub 0.5}FeO{sub x} oxygen separation membranes on porous supports

Description: SrCo{sub 0.5}FeO{sub x} (SCF) is an attractive material for oxygen separation membranes and for use in catalytic membrane reactors. While tubes of this material have been prepared by extrusion, further improvements in oxygen transport performance may be gained by preparing thinner membranes on porous supports. In this paper, we will discuss the deposition of thick films by spray deposition and centrifugal casting, and thin films by pyrolysis of chemical precursors. For the chemically derived th… more
Date: September 1, 1996
Creator: Ng, Man Fai; Riechert, T. L.; Schwartz, R. W. & Collins, J. P.
Partner: UNT Libraries Government Documents Department
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Development of a high-performance coal-fired power generating system with pyrolysis gas and char-fired high-temperature furnace (HITAF): Volume 3. Final report

Description: Testing of an atmospheric circulating bed pyrolyzer was done at Southern Illinois University. A variety of experiments have been conducted in a laboratory scale pyrolyzer with coal input flow rates from 2 to 6 lb/h. three feed coal particle sizes, corresponding to a nominal -40 mesh, -30 mesh and -18 mesh were used. The limestone used in the tests was a Genstar limestone. Parameters investigated in the tests include the influence of superficial velocity, temperature and coal-air mass ratios. Ch… more
Date: May 1, 1996
Partner: UNT Libraries Government Documents Department
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Advanced oxidation technologies for chemical demilitarization

Description: This is the final report of a one-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory. The main project objective was to establish a technical basis for future program development in the area of chemical warfare agent destruction using a Los Alamos-developed advanced oxidation process: a two-stage device consisting of thermal packed-bed reactor (PBR) and a nonthermal plasma (NTP) reactor. Various compounds were evaluated as potential surrogate… more
Date: December 31, 1996
Creator: Rosocha, L. A.; Korzekwa, R. A.; Monagle, M.; Coogan, J. J.; Tennant, R. A.; Brown, L. F. et al.
Partner: UNT Libraries Government Documents Department
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Engineering development of coal-fired high-performance power systems. Progress report, April 1--June 30, 1996

Description: In Phase 1 of the project, a conceptual design of a coal-fired, high-performance power system (HIPPS) was developed, and small-scale R and D was done in critical areas of the design. The current phase of the project includes development through the pilot plant stage and design of a prototype plant that would be built in Phase 3. The power-generating system being developed in this project will be an improvement over current coal-fired systems. It is a combined-cycle plant. This arrangement is re… more
Date: December 31, 1996
Partner: UNT Libraries Government Documents Department
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Catalytic pyrolysis of plastic wastes - Towards an economically viable process

Description: The ultimate goal of our project is an economically viable pyrolysis process to recover useful fuels and/or chemicals from plastics- containing wastes. This paper reports the effects of various promoted and unpromoted binary oxide catalysts on yields and compositions of liquid organic products, as measured in a small laboratory pyrolysis reactor. On the basis of these results, a commercial scale catalytic pyrolysis reactor was simulated by the Aspen software and rough costs were estimated. The … more
Date: July 1, 1996
Creator: McIntosh, M.J.; Arzoumanidis, G.G. & Brockmeier, F.E.
Partner: UNT Libraries Government Documents Department
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Structural evolution in carbon aerogels as a function of precursor material and pyrolysis temperature

Description: Several organic reactions that proceed through a sol-gel transition have been identified at LLNL. The most-studied reaction involves the aqueous polycondensation of resorcinol (1,3-dihydroxybenzene) with formaldehyde. Recently, we have shown that phenol can be added to this polymerization as a comonomer. The resultant crosslinked gels are supercritically dried from carbon dioxide ({Tc}=31{degrees}C, P{sub c}=7.4 MPa) to give resorcinol-phenol-formaldehyde (RPF) aerogels. Because RPF aerogels ar… more
Date: April 1, 1996
Creator: Gross, J.; Alviso, C. T.; Neilsen, J. K. & Pekala, R. W.
Partner: UNT Libraries Government Documents Department
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Studies of thin films and surfaces with optical harmonic generation and electron spectroscopy

Description: Optical second harmonic generation (SHG) and sum frequency generation (SFG) were used to study C{sup 60} thin solid films (low energy ED forbidden electronic excitations), and electron spectroscopy was used to study organic overlayers (xylenes) on Pt(111). Theory of SHG from a thin film is described in terms of surface and bulk contributions as well as local and nonlocal contributions to the optical nonlinearities. (1)In situ SHG data on C{sub 60} films during UHV film growth can be described i… more
Date: January 1, 1996
Creator: Wilk, D.E.
Partner: UNT Libraries Government Documents Department
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Coal combustion: Effect of process conditions on char reactivity. Final technical report, September 1, 1991--May 31, 1995

Description: Coal utilization involves two major stages: coal pyrolysis and char combustion. Figure 1.1 summarizes the steps of these processes. During the pyrolysis stage, heated particles from plastic coals soften, swell and release their volatiles before resolidifying again. During the combustion or gasification stage, char particles may ignite and fragment as the carbon is consumed leaving behind a solid ash residue. Process conditions such as pyrolysis heating rate, heat treatment temperature, pyrolysi… more
Date: February 1996
Creator: Zygourakis, K.
Partner: UNT Libraries Government Documents Department
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Engineering development of coal-fired high-performance power systems. Technical progress report 2, October--December 1995

Description: In Phase 1 of the project, a conceptual design of a coal-fired high performance power system was developed, and small scale R and D was done in critical areas of design. The current Phase of the project includes development through the pilot plant stage, and design of a prototype plant that would be built in Phase 3. The power generating system being developed in this project will be an improvement over current coal-fired systems. Goals have been identified that relate to the efficiency, emissi… more
Date: February 1, 1996
Partner: UNT Libraries Government Documents Department
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Coal precursors for carbon molecular sieves (CMS): Appendices A through L. Final report, October 1, 1994--March 31, 1996

Description: The data for each coal sample used in this study are included in a separate appendix. The information for each coal is presented in the following order: coal sample data (literature); coal sample data (measured); thermogravimetric data; mass spectroscopy data; mercury intrusion pore analysis; quantachrome gas sorption analysis (BET) using nitrogen (raw whole coal sample); quantachrome gas sorption analysis (BET) using nitrogen (activated whole coal sample; and plot of FTIR (DRIS) information ab… more
Date: March 31, 1996
Creator: Kopp, O. C.; Sparks, C. R.; McKinney, M. L.; Fuller, Jr., E. L. & Rogers, M. R.
Partner: UNT Libraries Government Documents Department
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