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National Institute for Petroleum and Energy Research monthly progress report, May 1993

Description: Accomplishments for the month of May are described briefly under tasks for: Energy Production Research; Fuels Research; and Supplemental Government Program. Energy Production Research includes: reservoir assessment and characterization; TORIS research support; development of improved microbial flooding methods; development of improved chemical flooding methods; development of improved alkaline flooding methods; mobility control and sweep improvement in chemical flooding; gas flood performance prediction improvement; mobility control, profile modification, and sweep improvement in gas flooding; three-phase relative permeability research; thermal processes for light oil recovery; thermal processes for heavy oil recovery; and imaging techniques applied to the study of fluids in porous media. Fuels Research covers: development of analytical methodology for analysis of heavy crudes; and thermochemistry and thermophysical properties of organic nitrogen- and diheteratom-containing compounds. Supplemental Government Program covers: microbial-enhanced waterflooding field project; feasibility study of heavy oil recovery in the midcontinent region--Oklahoma, Kansas, and Missouri; surfactant-enhanced alkaline flooding field project; process-engineering property measurements on heavy petroleum components; development and application of petroleum production technologies; upgrade BPO crude oil data base; simulation analysis of steam-foam projects; DOE education initiative project; field application of foams for oil production symposium; technology transfer to independent producers; compilation and analysis of outcrop data from the Muddy and Almond formations; implementation of oil and gas technology transfer initiative; horizontal well production from fractured reservoirs; and chemical EOR workshop.
Date: June 1, 1993
Partner: UNT Libraries Government Documents Department

[National Institute for Petroleum and Energy Research] monthly progress report for June 1992

Description: Accomplishments for this period are described briefly under tasks for: Energy Production Research; Fuels Research; and Supplemental Government Program. Energy Production Research includes: reservoir assessment and characterization; TORIS research support; development of improved microbial flooding methods; surfactant flooding methods; development of improved alkaline flooding methods; mobility control and sweep improvement in chemical flooding; gas flood performance prediction improvement; mobility control, profile modification, and sweep improvement in gas flooding; three-phase relative permeability research; thermal processes for light oil recovery; thermal processes for heavy oil recovery; and imaging techniques applied to the study of fluid in porous media. Fuels research includes; development of analytical methodology for analysis of heavy crudes; and thermochemistry and thermophysical properties of organic nitrogen- and diheteroatom-containing compounds. Supplemental Government Program includes: microbial-enhanced waterflooding field project; feasibility study of heavy oil recovery in the midcontinent region--Oklahoma, Kansas, and Missouri; surfactant-enhanced alkaline flooding field project; development of methods for mapping distribution of clays in petroleum reservoirs; summary of geological and production characteristics of class 1, unstructured, deltaic reservoirs; third international reservoir characterization technical conference; process-engineering property measurements on heavy petroleum components; development and application of petroleum production technologies; upgrade BPO crude oil data base; simulation analysis of steam-foam projects; and analysis of the U. S. oil resource base and estimate of future recoverable oil.
Date: August 1, 1992
Partner: UNT Libraries Government Documents Department

Laser enhanced chemical reaction studies. Technical progress report

Description: A powerful infrared diode laser probe was used to determine final states of small (2-5 atom) molecules produced by collisions, photofragmentation, or chemical reactions with spectral resolution 0.0003 cm{sup {minus}1} and time resolution 10{sup {minus}7}s. Besides picturing the vibrational rotational quantum states of product molecules, this also provides a picture of the translational motion of recoiling fragments through the infrared Doppler line width profile. This method was used to probe collisions between cool bath molecules and vibrationally hot molecules, in order to understand the quenching mechanism for unimolecular chemical reactions. Long-range collisions appear to dominate production of bath molecules which become vibrationally excited during this quenching process. Glimpses are being provided of the separate behavior of translational and rotational degrees of freedom of recoiling bath molecules during relaxation of highly vibrationally excited donors. A study was completed of collisions between hot H atoms and CO{sub 2}, by measuring probability for excitation of the antisymmetric vibrational overtone level CO{sub 2}(00{sup 0}2). Comparison with a 00{sup 0}1 fundamental level study suggests that translational and rotational energy distributions in this collision can be described by classical mechanics, but that vibrational excitation probabilities require full quantum treatment. Relaxation of hot pyrazine by CO{sub 2} was studied. Multiphoton ionization studies have been begun.
Date: December 31, 1993
Creator: Flynn, G.
Partner: UNT Libraries Government Documents Department

The single electron chemistry of coals. Quarterly report, January 1, 1994--March 31, 1994

Description: The objective of this work is to investigate and characterize the single electron reactions of alkyl and alkoxy aromatic compounds in order to determine the role these reactions play in the chemistry of coal. The work here is concerned with the interactions of coals, such as Illinois No. 6, with tetracyanoethylene.
Date: August 1, 1994
Creator: Larsen, J. W. & Rothenberg, S. E.
Partner: UNT Libraries Government Documents Department

Analysis of organic sulfur and nitrogen in coal via tandem degradation methods. Technical report, 1 December 1991--29 February 1992

Description: With the recent increase in concern for environmental issues and the implication of sulfur and nitrogen in coal combustion products as prime causes of acid rain, it has become clear that there is an urgent need for alternative methods for determining the nature of organic sulfur and nitrogen compounds in coal. The present study couples mild oxidative and reductive procedures to enhance the depolymerization of coal and its constituent macerals and the quantities of products amenable to analysis. The study also seeks to apply the degradative techniques to coal asphaltenes, since they are believed to be polymeric structures similar to the whole coal, but smaller and more readily analyzed.
Date: August 1, 1992
Creator: Kruge, M. A.; Palmer, S. R. & Baudet, N.
Partner: UNT Libraries Government Documents Department

Nitration of polynuclear aromatic hydrocarbons in coal combustors and exhaust streams. Quarterly report, January 1, 1993--March 31, 1993

Description: Nitro-polynuclear aromatic hydrocarbons (nitro-PAH) are the predominant mutagens on respirable particles from coal-fired boilers. Since nitro-PAH are not primary products of coal devolatilization, their formation must involve secondary chemistry at elevates temperatures. However, it is not known where in the combustion or exhaust processes they form, which reaction species are involved, or how concentrations are influenced by operating conditions. Results from this study will help to relate the environmental impact of mutagenic emission to boiler firing strategies. The objectives of this three-year project are to (1) identify the conditions which promote the nitration of PAH during primary combustion, reburning, hot gas cleanup, and particulate removal; and (2) investigate the potential relationship between NO{sub x} abatement and PAH nitration. A novel coal flow reactor burning actual coal products operates over the domains of heating rates, temperatures, fuel-equivalence ratios, and residence times in utility boilers. A fluidized bed will be built for studies of simulated hot gas cleanup at lower temperatures. Gas chromatography with chemiluminescence detection will measure the aggregate amount of nitro groups present to determine when nitro-PAH first appear, and how nitration is affected by the operating conditions. Tars from primary and secondary pyrolysis and oxidative pyrolysis will be fractionated into chain hydrocarbons, polynuclear aromatics, oxygenated species, and a basic fraction, so that their ring number distribution can be monitored with high performance liquid chromatography.
Date: June 1, 1993
Creator: Yu, L.; Dadamio, J.; Hildemann, L. & Niksa, S.
Partner: UNT Libraries Government Documents Department

Mechanism of hydrodenitrogenation H{sub 2}-D{sub 2} exchange in reduced molybdenum catalysts. Ninth quarterly report, October 1--December 31, 1991

Description: Diffuse reflectance infrared spectroscopy was used to study the deuterium exchangeability of reduced molybdena catalysts supported on silica, alumina and 75% silica-alumina. It was found that silica hydroxyls react partially with deposited molybdena. The new species formed does not lead to regeneration of hydroxyl on the catalyst. On the other hand, the interaction of molybdena with alumina or silica-alumina leads to the generation of interfacial OH groups, that compensate for the hydroxyls lost to reaction. In this project is a proposed that the selectivity of the Hydrodenitrogenation (HDN) reaction can be affected by an alteration of the catalyst acidity since it is possible that an acidic Hofmann-like deamination pathway is operative (1) in parallel with the hydrogenolysis of saturated C--N--C bonds. Such was the conclusion from the study done of the denitrogenation of piperidine (3), where it was demonstrated that Bronsted acid sites are active for the denitrogenation of N-heterocycles where as Lewis sites are not.
Date: December 31, 1991
Creator: Miranda, R.
Partner: UNT Libraries Government Documents Department

Sampling and analysis of natural gas trace constituents

Description: Major and minor components of natural gas are routinely analyzed by gas chromatography (GC), using a thermal conductivity (TC). The best results obtained by these methods can report no better than 0.01 mole percent of each measured component. Even the extended method of analysis by flame ionization detector (FID) can only improve on the detection limit of hydrocarbons. The gas industry needs better information on all trace constituents of natural gas, whether native or inadvertently added during gas processing that may adversely influence the operation of equipment or the safety of the consumer. The presence of arsenic and mercury in some gas deposits have now been documented in international literature as causing not only human toxicity but also damaging to the field equipment. Yet, no standard methods of sampling and analysis exist to provide this much needed information. In this paper the authors report the results of a three-year program to develop an extensive array of sampling and analysis methods for speciation and measurement of trace constituents of natural gas. A cryogenic sampler operating at near 200 K ({minus}99 F) and at pipeline pressures up to 12.4 {times} 10{sup 6}Pa (1800 psig) has been developed to preconcentrate and recover all trace constituents with boiling points above butanes. Specific analytical methods have been developed for speciating and measurement of many trace components (corresponding to US EPA air toxics) by GC-AED and GC-MS, and for determining various target compounds by other techniques. Moisture, oxygen and sulfur contents are measured on site using dedicated field instruments. Arsenic, mercury and radon are sampled by specific solid sorbents for subsequent laboratory analysis.
Date: September 1, 1993
Creator: Attari, A. & Chao, S.
Partner: UNT Libraries Government Documents Department

Mechanism of hydrodenitrogenation adsorption of piperidine on reduced molybdenum catalysts. Tenth quarterly report, January 1--March 31, 1992

Description: Diffuse reflectance ir spectroscopy of adsorbed piperidine was done to study the interaction of highly basic cyclic amines with OH on various surfaces. The silanol groups on pure silica do not interact strongly with piperidine, as shown by their inability to promote the exchange of deuterium from OD with hydrogen from piperidine. After supporting molybdena on such silica, however, the silanol groups associated with interfacial sites became more acidic and are able to exchange D with piperidine, which is also adsorbed more strongly. The OH groups on pure alumina do not interact with adsorbed piperidine because of their high basicity. Upon supporting molybdena, however, new acidity and probably new OH groups are generated that interact and exchange D with piperidine.
Date: August 1, 1992
Creator: Miranda, P.
Partner: UNT Libraries Government Documents Department

[National Institute for Petroleum and Energy Research] monthly progress report for April 1992

Description: Accomplishments for this period are described briefly under tasks for: Energy Production Research; Fuels Research; and Supplemental Government Program. Energy Production Research includes: reservoir assessment and characterization; TORIS research support; development of improved alkaline flooding methods, surfactant flooding methods; mobility control and sweep improvement in chemical flooding; gas flood performance prediction improvement; mobility control, profile modification, and sweep improvement in gas flooding; three-phase relative permeability; thermal processes for light oil recovery; thermal processes for heavy oil recovery; and imaging techniques applied to the study of fluids in porous media. Fuel Research includes: development of analytical methodology for analysis of heavy crudes; and thermochemistry and thermophysical properties of organic nitrogen- and diheteroatom-containing compounds. Supplemental Government Programs covers; field projects in microbial-enhanced waterflooding and surfactant-enhanced alkaline flooding; feasibility study of heavy oil recovery in the midcontinent region -- Oklahoma, Kansas, and Missouri; development of methods for mapping distribution of clays in petroleum reservoirs; summary of geological and production characteristics of class 1, unstructured, deltaic reservoirs; and process-engineering property measurements on heavy petroleum components.
Date: June 1, 1992
Partner: UNT Libraries Government Documents Department

Sulfided heterogeneous, bimetallic RuMo catalysts derived from mixtures of Ru{sub 3}(CO){sub 12} (or RuCl{sub 3}) and a molybdenum heteropolyanion. The reactions of ethanol with tetrahydroquinoline

Description: Efforts have been made to develop Ru/Mo bimetallic catalyst systems for hydrodenitrogenation (HDN) of tetrahydroquinoline (THQ)- In the course of these studies, it was discovered that in ethanol, under H{sub 2} and in the presence Of CS2, Precatalyst solutions containing Ru [as Ru{sub 3} (CO){sub 12} or RuCl{sub 3}] and Mo [as the H{sub 3}PMO{sub 12}0{sub 40} heteropolyanion (HPA)] decompose to form bimetallic, sulfided particles. Particle diameters run from 0.1 to 5 {mu}m depending on the rate of stirring. Catalyst particles with sizes ranging from 0.1--1 {mu}m can be prepared reproducibly. BET measured surface areas for these size particles ranged from 2 to 20 m2/g. These sulfided particles were found to catalyze, at temperatures of 200--250{degrees}C and hydrogen pressures of 200--1000 psig H{sub 2}, the N-ethylation of THQ to form NEt-THQ; rather than the formation of propylcyclohexane or propylbenzene, reaction products expected for HDN of THQ. Monometallic heterogeneous catalysts prepared from the individual precatalyst complexes, under identical conditions, show minimal activity for N-ethylation by comparison with the bimetallic catalyst. In the absence of H{sub 2}, the reaction proceeds such that THQ is converted to Q, N-EtTHQ, N-C{sub 6}H{sub 9}-THQ, and N-C{sub 6}H{sub 13}-THQ. The latter products appear to arise via acetaldehyde, formed as an intermediate by dehydrogenation of ethanol. Acetaldehyde either condenses with THQ to form N-Et-THQ, or self condenses (aldol condensation) prior to reaction with THQ thereby giving higher homolog alkylation products.
Date: September 1, 1992
Creator: Koo, Sang-Man; Ryan, D. & Laine, R. M.
Partner: UNT Libraries Government Documents Department

Coal-derived promoters for the liquefaction of Illinois coal. [Quarterly] technical report, December 1, 1991--February 29, 1992

Description: The objective of this program is to investigate the use of liquids derived from coal either by mild gasification or supercritical extraction (SCE) to promote direct liquefaction of Illinois coal. Some organic sulfur-, nitrogen-, and oxygen-containing compounds have been found to enhance liquefaction reactions. The use of Illinois coal to produce liquid fractions rich in these types of compounds could increase the rates of liquefaction reactions, thus improving the process economics. An integrated process combining direct liquefaction with mild gasification or SCE of coal is being developed by IGT.
Date: August 1, 1992
Creator: Carty, R. H. & Knight, R. A.
Partner: UNT Libraries Government Documents Department

The single electron chemistry of coals. Quarterly report, October 1, 1993--December 31, 1993

Description: The objective of this work is to investigate and characterize the single electron reactions of alkyl and alkoxy aromatic compounds in order to determine the role these reactions play in the chemistry of coal. The work here is concerned with the interactions of coals, such as Illinois No. 6, with tetracyanoethylene.
Date: August 1, 1994
Creator: Larsen, J. W. & Rothenberg, S. E.
Partner: UNT Libraries Government Documents Department

[National Institute for Petroleum and Energy Research] monthly progress report for July 1993

Description: Brief progress reports are presented under the following tasks: energy production research; fuels research; and supplemental Government programs. Energy production research includes: reservoir assessment and characterization; TORIS research support; development of improved microbial flooding methods; development of improved chemical flooding methods; development of improved alkaline flooding methods; mobility control and sweep improvement in chemical flooding; gas flood performance prediction improvement; mobility control, profile modification, and sweep improvement in gas flooding; three-phase relative permeability research; thermal processes for light oil recovery; thermal processes for heavy oil recovery; and imaging techniques applied to the study of fluids in porous media. Fuels research covers; development of analytical methodology for analysis of heavy crudes; and thermochemistry and thermophysical properties of organic nitrogen- and diheteroatom-containing compounds. Supplemental Government program includes: microbial-enhanced waterflooding field project; feasibility study of heavy oil recovery in the Midcontinent region: Oklahoma, Kansas, and Missouri; surfactant-enhanced alkaline flooding field project; process-engineering property measurements on heavy petroleum components; development and application of petroleum production technologies; upgrade PBO crude oil database; simulation analysis of steam-foam projects; DOE education initiative project; technology transfer to independent producers; compilation and analysis of outcrop data from the Muddy and Almond formations; implementation of oil and gas technology transfer initiative; horizontal well production from fractured reservoirs; chemical EOR workshop; and organization of UNITAR 6th International conference of Heavy Crude and Tar Sands.
Date: August 1, 1993
Partner: UNT Libraries Government Documents Department

Monthly progress report for April 1993

Description: Accomplishments for the month of April are described briefly for the following tasks: energy production research; fuels research; and supplemental government program. Energy production research includes: reservoir assessment and characterization; TORIS research support; development of improved microbial flooding methods; development of improved chemical flooding methods; development of improved alkaline flooding methods; mobility control and sweep improvement in chemical flooding; gas flood performance prediction improvement; mobility control, profile modification, and sweep improvement in gas flooding; three-phase relative permeability research; thermal processes for light oil recovery; thermal processes for heavy oil recovery; and imaging techniques applied to the study of fluids in porous media. Fuel research includes: development of analytical methodology for analysis of heavy crudes; and thermochemistry and thermophysical properties of organic nitrogen- and diheteratom-containing compounds. Supplemental government program includes: microbial-enhanced waterflooding field project; feasibility study of heavy oil recovery in the midcontinent region--Oklahoma, Kansas, and Missouri; surfactant-enhanced alkaline flooding field project; process- engineering property measurements on heavy petroleum components; development and application of petroleum production technologies; upgrade BPO crude oil data base; simulation analysis of steam-foam projects; DOE education initiative project; field application of foams for oil production symposium; technology transfer to independent producers; compilations and analysis of outcrop data from the Muddy and Almond Formations; implementation of oil and gas technology transfer initiative; and horizontal well production from fractured reservoirs.
Date: May 1, 1993
Partner: UNT Libraries Government Documents Department

Supercritical thermodynamics of sulfur and nitrogen species. Quarterly progress report, January 1, 1993--March 31, 1993

Description: Significant opportunity exists for the application of supercritical fluid (SCF) technology to coal processing, both for pretreatment of high sulfur coals, as well as liquefaction and treatment of coal liquids. Supercritical fluids are attractive solvents for a variety of coal processing applications because of their unusual solvating and mass transfer properties. Solubility studies have been carried out for a number of model coal and coal-liquid compounds, primarily in pure supercritical fluids. We are extending this database of model coal compound equilibria using modem techniques that have the advantage of being much more rapid than traditional techniques. Cosolvent effects on solubility are being investigated over a variety of solvent properties. In addition, specific molecular interactions are being investigated through spectroscopic techniques. The resulting data are being used to develop a chemical-physical equation of state (EOS) model of SCF solution with meaningful parameters. The equation of state wig be used to predict solubility behavior, which will permit the design and tailoring of SCF cosolvent systems for specific coal processing applications.
Date: July 1, 1993
Creator: Eckert, C. A.
Partner: UNT Libraries Government Documents Department

Investigation of coal structure. Quarterly report, January 1, 1993--March 31, 1993

Description: The goal of the present work is to conduct multi-stage sequences of extraction experiments and direct solvent swelling measurements of raw and extracted coal to study in a greater depth the role of intra- and intermolecular interactions in the structure of coal. One of the possible ways to investigate the structure of coal is to extract it with a series of procedures. The individual extraction step chosen will be such that it weaken or disrupt intra- and intermolecular interactions that are particular to the rank of the test coal. To date, we attempted to extract raw and pyridine extracted (PI) DECS 16 coal with two solvents; 1:1 volume percent carbon disulfide & 1-methyl-2-pyrrolidinone (NMEP) mixed solvent and 1:3 volume percent 1M tetrabutylammonium hydroxide (TBAH) in methanol & pyridine. Also, raw DECS 16 coal was o-butylated followed by pyridine extraction in a soxhlet apparatus and the ultimate extraction yields were compared with o-butylated pyridine extracted coal.
Date: April 1, 1993
Partner: UNT Libraries Government Documents Department

Characterization of air toxics from a laboratory coal-fired combustor and utility scale power plants. Quarterly progress report No. 6, January--March 1993

Description: Laboratory combustor studies were conducted at Battelle in the fall of 1992 to evaluate sampling methods and analysis techniques for air toxics generated by buming pulverized coal. These experiments were described in the fifth quarterly progress report. In this report results from additional analyses of samples are reported. Results are shown in Tables 1--8 for analysis of nitro-polycyclic aromatic hydrocarbons (nitro-PAH), oxygenated PAH (oxy-PAH), hydroxy-nitro-aromatic compounds (OH-NO2-AR/PAH), and PAH derivatives containing sulfur (PASH) and nitrogen (PANH). In the tables the two fning rates refer to the rate at which coal was fired in the laboratory fumace. The high firing rate was 5.7 g/s (45 lbs/hr), and the low firing rate was 5.3 g/s. The first letter in the sample identification refers to high (H) or low (L) coal firing rate. The second letter refers to either the hot flue samples (H) or samples collected with a Plume Simulating Dilution Sampler (D). The third letter refers to the particle size range. Size range A was about 3.3-7.1 {mu}m. Size range B was about 0.87-3.3 Jim. Size range C was less than 0.87-3.3{mu}m. Size range C was less than 0.87{mu}m. The nitro-PAH data from the hot flue and PSDS vapor and particle samples are summarized in Tables 1 through 4. The data on oxy-PAH, N02-OH-AR/PAH, PASH, and PANH from the PSDS particle samples are given in Tables 5 through 8, respectively. The most abundant target oxyPAH is fluorenone. Higher concentrations were found in size C samples as compared to the size A and size B composite samples. A similar relative concentration trend was also observed for other PAH derivatives.
Date: April 1, 1993
Partner: UNT Libraries Government Documents Department

[National Institute for Petroleum and Energy Research] 1991 annual report, October 1, 1990--September 30, 1991

Description: This Annual Report provides research accomplishments, publications, and presentations resulting from the FY91 research conducted under the following Base Program projects: reservoir assessment and characterization; TORIS research support; three-phase relative permeability; imaging techniques applied to the study of fluids in porous media; development of improved microbial flooding methods; development of improved surfactant flooding methods; development of improved alkaline flooding methods; development of improved mobility- control methods; gas flooding; mobility control and sweep improvement in gas flooding; thermal processes for light oil recovery; thermal processes for heavy oil recovery; thermochemistry and thermophysical properties of organic nitrogen- and diheteroatom- containing compounds; and development of analytical methodology for analysis of heavy crudes.
Date: May 1, 1993
Partner: UNT Libraries Government Documents Department

Supercritical thermodynamics of sulfur and nitrogen species. Quarterly progress report, October 1, 1992--December 31, 1992

Description: Significant opportunity exists for the application of supercritical fluid.(SCF) technology to coal processing, both for pretreatment of high sulfur coals, as well as liquefaction and treatment of coal liquids. Supercritical fluids are attractive solvents for a variety of coal processing applications because of their unusual solvating and mass transfer properties. Solubility studies have been carried out for a number of model coal and coal-liquid compounds, primarily in pure supercritical fluids. We are extending this database of model coal compound equilibria using modern techniques that have the advantage of being much more rapid than traditional techniques. Cosolvent effects on solubility are being investigated over a variety of solvent properties. In addition, specific molecular interactions are being investigated through spectroscopic techniques. The resulting data are being used to develop a chemical-physical equation of state (EOS) model of SCF solution with meaningful parameters. The equation of state win be used to predict solubility behavior, which will permit the design and tailoring of SCF cosolvent systems for specific coal processing applications.
Date: October 1, 1991
Creator: Eckert, C. A.
Partner: UNT Libraries Government Documents Department

Bimetallic promotion of cooperative hydrogen transfer and heteroatom removal in coal liquefaction. Final technical report, September 1, 1988--December 31, 1991

Description: The ultimate objective of this research has been to uncover novel reagents and experimental conditions for heteroatom removal and hydrogen transfer processes, which would be applicable to the liquefaction of coal under low-severity conditions. To this end, one phase of this research has investigated the cleavage of carbon-heteroatom bonds involving sulfur, oxygen, nitrogen and halogen by subvalent transition-metal complexes. A second phase of the study has assessed the capability of the same transition-metal complexes or of organoaluminum Lewis acids to catalyze the cleavage of carbon-hydrogen bonds in aromatics and hence to promote hydrogen shuttling. Finally, a third phase of our work has uncovered a remarkable synergistic effect of combinations of transition metals with organoaluminum Lewis acids on hydrogen shuttling between aromatics and hydroaromatics. (VC)
Date: April 7, 1992
Creator: Eisch, J. J.
Partner: UNT Libraries Government Documents Department

Progress report for subcontract 9-X33-LO152-1

Description: X-ray structural studies were made for complexes of Co ions with ammonia, 4-nitroimidazole, benzimidazole, aniline, pyridine, DMSO, en, 4-nitropyrazole, histidine, 4-nitrohistidine, 4-chloroimidazole. Synthetic procedures are given. Molecular modeling is discussed.
Date: March 1, 1994
Creator: Storm, C. B. & Butcher, R. J.
Partner: UNT Libraries Government Documents Department

Supercritical thermodynamics of sulfur and nitrogen species. Quarterly progress report October 1991--December 31, 1991

Description: Significant opportunity exists for the application of supercritical fluid (SCF) technology to coal processing, both for pretreatment of high sulfur coals, as well as liquefaction and treatment of coal liquids. Supercritical fluids are attractive solvents for a variety of coal processing applications because of their unusual solvating and mass transfer properties. Solubility studies have been carried out for a number of model coal and coal-liquid compounds, primarily in pure supercritical fluids. We are extending this database of model coal compound equilibria using modern techniques that have the advantage of being much more rapid than traditional techniques. Cosolvent effects on solubility are being investigated over a variety of solvent properties. In addition, specific molecular interactions are being investigated through spectroscopic techniques. The resulting data is being used to develop a chemical-physical equation of state (EOS) model of SCF solution with meaningful parameters. The equation of state will be used to predict solubility behavior, which will permit the design and tailoring of SCF cosolvent systems for specific coal processing applications.
Date: December 31, 1991
Creator: Eckert, C. A.
Partner: UNT Libraries Government Documents Department