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Simulations of highly reactive fluids

Description: We report density functional molecular dynamics simulations to determine the early chemical events of hot (T = 3000 K) and dense (1.97 g/cm{sup 3}, V/V{sub 0} = 0.68) nitromethane (CH{sub 3}NO{sub 2}). The first step in the decomposition process is an intermolecular proton abstraction mechanism that leads to the formation of CH{sub 3}NO{sub 2}H and the aci ion H{sub 2}CNO{sub 2}{sup -}, in support of evidence from static high-pressure and shock experiments. An intramolecular hydrogen transfer that transforms nitromethane into the aci acid form, CH{sub 2}NO{sub 2}H, accompanies this event. This is the first confirmation of chemical reactivity with bond selectivity for an energetic material near the condition of fully reacted specimen. We also report the decomposition mechanism followed up to the formation of H{sub 2}O as the first stable product.
Date: July 21, 2005
Creator: Fried, L E; Manaa, M R & Reed, E J
Partner: UNT Libraries Government Documents Department

STUDY OF SOLVENT AND CATALYST INTERACTIONS IN DIRECT COAL LIQUEFACTION

Description: Using a reactor in which the coal is physically separated from the solid catalyst by a porous wall permeable to the hydrogen donor solvent, it was shown that direct contact between the catalyst and the coal is not required for catalyzed coal liquefaction. This occurs however only when there is a hydrogen atmosphere, as liquefaction with catalyst participation does not occur in a nitrogen atmosphere. Liquefaction by hydrogen transfer from the donor solvent itself does occur. This suggests that there is transfer of hydrogen from the catalyst to the coal via the solvent. The character of the solvent makes a significant difference, the better solvents being good hydrogen donors. These results indicate that the role of the catalyst may be to regenerate the spent hydrogen donor solvent during the liquefaction process. The peak temperature for volatiles evolution has been shown to be a reproducible measure of the coal rank. This was shown by an excellent correlation (R2 = 0.998) between peak volatiles temperatures (by TGA) and vitrinite reflectance. Using TG/MS, the volatiles contents of coals of a wide range of ranks was determined. The low rank coals emit largely phenols and some other oxygen compounds and olefins. The higher rank coals emit largely aromatic hydrocarbons and some olefins.
Date: January 1, 2000
Creator: Klein, Michael T.
Partner: UNT Libraries Government Documents Department

Development of laser-ion beam photodissociation methods. Progress report, December 1991--November 1994

Description: This project emphasizes the development of laser mass spectrometry methods for fundamental and applied studies of gas-phase processes. The current studies are focussed on the photochemistry and photophysics of peptides and other biological molecules. Matrix-assisted laser desorption ionization (MALDI) is used to produce ions that are subsequently subjected to photoexcitation and dissociation. MALDI is still very much in the developmental stages, thus a significant portion of this research focusses on fundamental studies of the MALDI ion formation/energy transfer process. The authors view is that excited state H+-transfer reactions play an important role in MALDI, consequently a significant portion of their research activities are focussed on such studies. Fundamental studies of the role of the matrix in MALDI are an integral part of this project. A new MALDI experiment, MALDI of aerosol particles generated from solutions, has been demonstrated and new developmental research in this area is planned. The authors are also actively pursuing a research program on gas-phase H+-transfer processes that mimic the MALDI process. In addition, they are developing photodissociation experiments, based on tandem time-of-flight mass spectrometers, for structural characterization of complex organic molecules. The photodissociation studies use MALDI as the ionization method. These research areas involve the development of new instrumentation, new instrument methodologies, and data processing.
Date: June 1, 1994
Creator: Russell, D. H.
Partner: UNT Libraries Government Documents Department

Low severity coal liquefaction promoted by cyclic olefins. Quarterly report, October 1996--December 1996

Description: The goal of this research is to develop a methodology for analyzing the reactivity of cyclic olefins in situ in a high temperature and high pressure infrared cell. The reactivities of naphthalene, decalin, tetralin, isotetralin, 1,2-dihydronaphthalene and 1,4-dihydronaphthalene have been studied at 230{degrees}C under ambient pressure and under 500 psig blankets of both nitrogen and hydrogen.
Date: June 1, 1997
Creator: Curtis, C.W.
Partner: UNT Libraries Government Documents Department

Effect of tetralin on the degradation of polymer in solution

Description: The effect of a hydrogen-donor solvent tetralin on thermal degradation of poly(styrene-allyl alcohol) in liquid solution was investigated in a steady-state tubular flow reactor at 1000 psig at various tetralin concentrations, polymer concentrations, and temperatures. The experimental data were interpreted with continuous- mixture kinetics, and rate coefficients determined for the specific and random degradation processes.
Date: December 31, 1995
Creator: Madras, G.; Smith, J.M. & McCoy, B.J.
Partner: UNT Libraries Government Documents Department

Intrinsic barriers for H-atom transfer reactions

Description: Hydrogen transfer reactions play a well-recognized role in coal liquefaction. While H-abstraction reactions between radicals and H-donors have been well-studied, understanding of structure-reactivity relationships remains surprisingly incomplete. Another form of hydrogen transfer known as radical hydrogen transfer (radical donation of H to an unsaturated compound) is currently the subject of much speculation. The barriers for identity reactions are key parameters in the Evans-Polanyi equation for estimating reaction barriers and are fundamentally significant for the insight they provide about bond reorganization energies for formation of transition state structures. Although knowable from experiment, relatively few H-abstraction identity barriers and no barriers for hydrocarbon radical hydrogen transfer reactions have been measured. This paper seeks to supplement and extend existing experimental data with results obtained by calculation. The authors have used ab initio and semiempirical molecular orbital methods (MNDO-PM3) to calculate barriers for a series of H-atom abstraction and radical-hydrogen-transfer identity reactions for alkyl, alkenyl, arylalkyl and hydroaryl systems. Details of this methodology and analyses of how barrier heights correlate with reactant and transition state properties will be presented and discussed.
Date: August 1, 1994
Creator: Camaioni, D.M.; Autrey, S.T. & Franz, J.A.
Partner: UNT Libraries Government Documents Department

Nonplanarity and the protonation behavior of porphyrins

Description: {sup 1}H NMR studies of the protonation of highly nonplanar porphyrins with strong acids reveal the presence of the previously elusive monocation, and show that its stability can be related to the amount of saddle distortion induced by protonation; the amount of saddle distortion for a porphyrin dication is also found to correlate well with the rate of intermolecular proton transfer.
Date: March 21, 2000
Creator: SOMMA,MARIA S.; MEDFORTH,CRAIG J.; TH,KEVIN M. & SHELNUTT,JOHN A.
Partner: UNT Libraries Government Documents Department

Low severity coal liquefaction promoted by cyclic olefins. Quarterly report, April--June 1992

Description: Low severity coal liquefaction allows for solubilization of coal with reduced gas make. These lower severity conditions may result in some selective bond rupture. Promotion of coal solubilization through hydrogen transfer using highly active and effective hydrogen donors is the objective of this study. The highly effective donors being tested are cyclic olefins. Representative cyclic olefins are isotetralin, which is 1,4,5,8-tetrahydronaphthalene, and 1,4,5,8,9,10-hexahydroanthracene. These compounds are hydroaromatics without aromatic rings and have been shown to be highly effective donors. The objective of the work performed in this study during this quarter was to evaluate reaction parameters for low severity liquefaction reactions using the cyclic olefin, hexahydroanthracene, and the aromatic, anthracene. These model compounds were reacted under a variety of conditions to evaluate their reactivity without coal. The reactions were performed under both thermal and catalytic conditions. Finely divided catalysts from different molybdenum precursors were used to determine their activity in promoting hydrogenation and hydrogen transfer at low severity conditions. The catalysts used were Molyvan L, sulfurized oxymolybdenum dithiocarbamate, molybdenum naphthenate, and Molyvan 822, organo molybdenum dithiocarbamate.
Date: July 27, 1992
Creator: Curtis, C. W.
Partner: UNT Libraries Government Documents Department

Efficient Estimators for Quantum Instanton Evaluation of theKinetic Isotope Effects: Application to the Intramolecular HydrogenTransfer in Pentadiene

Description: The quantum instanton approximation is used to compute kinetic isotope effects for intramolecular hydrogen transfer in cis-1,3-pentadiene. Due to the importance of skeleton motions, this system with 13 atoms is a simple prototype for hydrogen transfer in enzymatic reactions. The calculation is carried out using thermodynamic integration with respect to the mass of the isotopes and a path integral Monte Carlo evaluation of relevant thermodynamic quantities. Efficient 'virial' estimators are derived for the logarithmic derivatives of the partition function and the delta-delta correlation functions. These estimators require significantly fewer Monte Carlo samples since their statistical error does not increase with the number of discrete time slices in the path integral. The calculation treats all 39 degrees of freedom quantum-mechanically and uses an empirical valence bond potential based on a modified general AMBER force field.
Date: June 13, 2007
Creator: Vanicek, Jiri & Miller, William H.
Partner: UNT Libraries Government Documents Department

The role of recycle oil in direct coal liquefaction process development

Description: It has long been recognized that use of a recycle oil is a convenient and perhaps necessary feature of a practical direct coal liquefaction process. The recycle oil performs a number of important functions. It serves as a vehicle to convey coal into the liquefaction reactor and products from the reactor. It is a medium for mass and heat transfer among the solid, liquid, and gaseous components of the reactor inventory. It can act as a reactant or intermediate in the liquefaction process. Therefore, the nature of the recycle oil can have a determining effect on process configuration and performance, and the characterization of recycle oil composition and chemistry has been the subject of considerable interest. This paper discusses recycle oil characterization and its influence on the industrial development of coal liquefaction technology,
Date: August 1, 1995
Creator: Burke, F. P.
Partner: UNT Libraries Government Documents Department

Supercritical catalysts of light hydrocarbon conversion. DOE PETC eighth quartery report, July 1, 1995--September 30, 1995

Description: The solid superacid catalysts investigated in this project catalyze hydrocarbon conversions by routes involving carbocation intermediates. This report is a summary of mechanisms of hydrocarbon conversion catalyzed by these and related solid acids. This mechanistic information summarized here is important to the present project because it provides guidance for the modeling of the kinetics of the catalytic butane conversion and propane conversion. Because of the difficulty of determining surface reaction intermediates, understanding of surface reaction mechanisms lags far behind that of solution reaction mechanisms, and what is known about the former is fragmentary and often largely based on presumed analogies with the latter, combined with results such as those from tracer experiments, kinetics experiments, and theoretical chemistry.
Date: June 1, 1996
Creator: Gates, B.C.
Partner: UNT Libraries Government Documents Department

Low severity coal liquefaction promoted by cyclic olefins. Quarterly technical progress report, April--June 1996

Description: The goal of this research is to develop a methodology for analyzing the reactivity of cyclic olefins in situ in a high temperature and high pressure infrared cell. Cyclic olefins, such as 1,4,5,8-tetrahydronaphthalene (isotetralin) and 1,4,5,8,9,10-hexahydroanthracene (HHA), are highly reactive donor compounds that readily donate their hydrogen to coal and model acceptors when heated to temperatures of 200{degrees}C and above. These donors are active donors in the low severity liquefaction of coal at 350{degrees}C as shown in the research performed in this project. The infrared studies are being performed in a high temperature infrared cell that was obtained from AABSPEC. Modifications to that cell have been made and have been reported in previous progress reports.
Date: December 31, 1997
Creator: Curtis, C.W.
Partner: UNT Libraries Government Documents Department

Fundamental studies of supported bimetallic catalysts by NMR spectroscopy

Description: Various hydrogenation reactions on transition metals are important commercially whereas certain hydrogenolysis reactions are useful from fundamental point of view. Understanding the hydrogen mobility and kinetics of adsorption-desorption of hydrogen is important in understanding the mechanisms of such reactions involving hydrogen. The kinetics of hydrogen chemisorption was studied by means of selective excitation NMR on silica supported Pt, Rh and Pt-Rh catalysts. The activation energy of hydrogen desorption was found to be lower on silica supported Pt catalysts as compared to Rh and Pt-Rh catalysts. It was found that the rates of hydrogen adsorption and desorption on Pt-Rh catalyst were similar to those on Rh catalyst and much higher as compared to Pt catalyst. The Ru-Ag bimetallic system is much simpler to study than the Pt-Rh system and serves as a model system to characterize more complicated systems such as the K/Ru system. Ag was found to decrease the amounts of adsorbed hydrogen and the hydrogen-to-ruthenium stoichiometry. Ag reduced the populations of states with low and intermediate binding energies of hydrogen on silica supported Ru catalyst. The rates of hydrogen adsorption and desorption were also lower on silica supported Ru-Ag catalyst as compared to Ru catalyst. This report contains introductory information, the literature review, general conclusions, and four appendices. An additional four chapters and one appendix have been processed separately for inclusion on the data base.
Date: October 17, 1996
Creator: Savargaonkar, N.
Partner: UNT Libraries Government Documents Department

Quantum scattering studies of spin-orbit effects in the Cl({sup 2}P) + HCl {yields} ClH + Cl({sup 2}P) reaction

Description: The authors present quantum scattering calculations for the Cl + HCl {yields} ClH + Cl reaction in which they include the three electronic states that correlate asymptotically to the ground state of Cl({sup 2}P) + HCl(X{sup 1}{Sigma}{sup +}). The potential surfaces and couplings are taken from the recent work of C.S. Maierle, G.C. Schatz, M.S. Gordon, P. McCabe and J.N.L. Connor, J. Chem. Soc. Farad. Trans. (1997). They are based on extensive ab initio calculations for geometries in the vicinity of the lowest energy saddle point, and on an electrostatic expansion (plus empirical dispersion and repulsion) for long range geometries including the van der Waals wells. Spin-orbit coupling has been included using a spin-orbit coupling parameter {lambda} that is assumed to be independent of nuclear geometry, and Coriolis interactions are incorporated accurately. The scattering calculations use a hyperspherical coordinate coupled channel method in full dimensionality. AJ-shifting approximation is employed to convert cumulative reaction probabilities for total angular momentum quantum number J = 1/2 into state selected and thermal rate coefficients. Two issues have been studied: (a) the influence of the magnitude of {lambda} on the fine-structure resolved cumulative probabilities and rate coefficients (the authors consider {lambda}`s that vary from 0 to {+-}100% of the true Cl value), and (b) the transition state resonance spectrum, and its variation with {lambda} and with other parameters in the calculations. Cl + HCl is a simple hydrogen transfer reaction which serves as a canonical model both for heavy-light-heavy atom reactions, and for the reactions of halogen atoms with closed shell molecules.
Date: July 1, 1998
Creator: Schatz, G.C.; McCabe, P. & Connor, J.N.L.
Partner: UNT Libraries Government Documents Department

Molecular Mechanism of Biological Proton Transport

Description: Proton transport across lipid membranes is a fundamental aspect of biological energy transduction (metabolism). This function is mediated by a Grotthuss mechanism involving proton hopping along hydrogen-bonded networks embedded in membrane-spanning proteins. Using molecular simulations, the authors have explored the structural, dynamic, and thermodynamic properties giving rise to long-range proton translocation in hydrogen-bonded networks involving water molecules, or water wires, which are emerging as ubiquitous H{sup +}-transport devices in biological systems.
Date: September 1, 1998
Creator: Pomes, R.
Partner: UNT Libraries Government Documents Department

FUNDAMENTAL KINETICS OF SUPERCRITICAL COAL LIQUEFACTION: EFFECT OF CATALYSTS AND HYDROGEN-DONOR SOLVENTS

Description: This report outlines a distribution kinetics approach to macromolecular reactions that has been applied to several processes. The objective was to develop an understanding of high-temperature, dense-phase thermolytic processes for complex macromolecular systems, such as coal. Experiments and theory are described for chemical models that simulate depolymerization of coal. The approach has been exceptionally successful for the model macromolecular systems. Development of a novel chemical reaction engineering analysis, based on distribution kinetics, was a major accomplishment of the current research.
Date: August 1, 1998
Creator: McCoy, Benjamin J. & Smith, J.M.
Partner: UNT Libraries Government Documents Department

A unified view of coherent and incoherent dihydrogen exchange in transition metal hydrides by nuclear resonance and inelastic neutron scattering

Description: In this paper a unified view of coherent and incoherent dihydrogen exchange in transition metal hydrides by nuclear magnetic resonance (NMR) and inelastic neutron scattering (INS) is presented. It is shown that both exchange processes coexist i.e. do not transform into each other although they may dominate the spectra in different temperature ranges. This superposition is the consequence of the incorporation of the tunnel frequency J of the coherent process into the nuclear two-spin hamiltonian of hydrogen pairs which allows to treat the problem using the well known density matrix theory of NMR line-shapes developed by Alexander and Binsch. It is shown that this theory can also be used to predict the line-shapes of the rotational tunneling transitions observed in the INS spectra of transition metal dihydrogen complexes and that both NMR and INS spectra depend on similar parameters.
Date: August 12, 1995
Creator: Limbach, H.H.; Ulrich, S.; Buntkowsky, G.; Sabo-Etienne, S.; Chaudret, B.; Kubas, G.J. et al.
Partner: UNT Libraries Government Documents Department

Mechanism of hydrogen incorporation in coal liquefaction. Quarterly progress report, April 1995--June 1995

Description: Mechanisms important to coal liquefaction and hydrogen transfer in coal liquefaction are being investigated. We continued our studies of the reactions of various organic compounds with D{sub 2}. Also described in this report is the success of hydrogenating naphthalene utilizing silica as a catalyst.
Date: September 1, 1995
Partner: UNT Libraries Government Documents Department

Low severity coal liquefaction promoted by cyclic olefins. Quarterly report, October 1995--December 1995

Description: The goal of this research is to develop a methodology for analyzing the reactivity of cyclic olefins in situ in a high temperature and high pressure infrared cell. Cyclic olefins, such as 1,4,5,8-tetrahydronaphthalene (isotetralin) and 1,4,5,8,9,10-hexahydroanthracene (HHA), are highly reactive donor compounds that readily donate their hydrogen to coal and model acceptors when heated to temperatures of 200{degrees}C and above. These donors are active donors in the low severity liquefaction of coal at 350{degrees}C as shown in the research performed in this project. The infrared studies are being performed in a high temperature infrared cell that was obtained from AABSPEC. Modifications to that cell have been made and have been reported in previous progress reports. During this last quarter the useful temperature range of the high temperature infrared cell was extended to 230{degrees}C through the use of a high-boiling perfluorocarbon solvent. The solvent used was an Air Products and Chemicals Company proprietary product trade named Multifluor APF-240. Solubilities of aromatics and cyclic olefins were quite low in APF-240, usually less than 0.1 wt% at room temperature, but were found to be a strong function of temperature, increasing markedly when the mixtures were heated to 65{degrees}C. Spectra have been obtained of n-hexadecane and naphthalene at temperatures of 65, 100, 125, 150, 175, 200 and 230{degrees}C. This demonstration of the safe operation of the high temperature IR cell and the acquisition of spectra at elevated temperatures paves the way for kinetic studies of the hydrogen donor capability of isotetralin. A perfluoroether has been obtained from Dupont which should extend the useful temperature range of the high temperature IR cell to 350{degrees}C.
Date: December 31, 1995
Creator: Curtis, C.W.
Partner: UNT Libraries Government Documents Department

Intermolecula transfer and elimination of molecular hydrogen in thermal reactions of unsaturated organic compounds

Description: Two reactions which are important to coal liquefaction include intermolecular transfer and the elimination of two hydrogen atoms. We have designed several model reactions to probe the viability of several hydrogen transfer and elimination pathways. This report described studies on these reactions using organic model compounds.
Date: February 10, 1995
Creator: Suria, S.
Partner: UNT Libraries Government Documents Department

Development of Novel Electrode Materials for the Electrocatalysis of Oxygen-Transfer and Hydrogen-Transfer Reactions

Description: Throughout this thesis, the fundamental aspects involved in the electrocatalysis of anodic O-transfer reactions and cathodic H-transfer reactions have been studied. The investigation into anodic O-transfer reactions at undoped and Fe(III)[doped MnO{sub 2} films] revealed that MnO{sub 2} film electrodes prepared by a cycling voltammetry deposition show improved response for DMSO oxidation at the film electrodes vs. the Au substrate. Doping of the MnO{sub 2} films with Fe(III) further enhanced electrode activity. Reasons for this increase are believed to involve the adsorption of DMSO by the Fe(III) sites. The investigation into anodic O-transfer reactions at undoped and Fe(III)-doped RuO{sub 2} films showed that the Fe(III)-doped RuO{sub 2}-film electrodes are applicable for anodic detection of sulfur compounds. The Fe(III) sites in the Fe-RuO{sub 2} films are speculated to act as adsorption sites for the sulfur species while the Ru(IV) sites function for anodic discharge of H{sub 2}O to generate the adsorbed OH species. The investigation into cathodic H-transfer reactions, specifically nitrate reduction, at various pure metals and their alloys demonstrated that the incorporation of metals into alloy materials can create a material that exhibits bifunctional properties for the various steps involved in the overall nitrate reduction reaction. The Sb{sub 10}Sn{sub 20}Ti{sub 70}, Cu{sub 63}Ni{sub 37} and Cu{sub 25}Ni{sub 75} alloy electrodes exhibited improved activity for nitrate reduction as compared to their pure component metals. The Cu{sub 63}Ni{sub 37} alloy displayed the highest activity for nitrate reduction. The final investigation was a detailed study of the electrocatalytic activity of cathodic H-transfer reactions (nitrate reduction) at various compositions of Cu-Ni alloy electrodes. Voltammetric response for NO{sub 3}{sup -} at the Cu-Ni alloy electrode is superior to the response at the pure Cu and Ni electrodes. This is explained on the basis of the synergism of the two different metal sites at these binary ...
Date: August 27, 2002
Creator: Simpson, Brett Kimball
Partner: UNT Libraries Government Documents Department

Hydrogen shutting pathways in thermal hydroliquefaction: Solvent-induced scission of coal model compound structures

Description: It has been demonstrated that donor solvents play a key role in the scission of thermal stable bonds in coal model compounds and therefore it has been speculated that they will improve liquefaction efficiencies. The authors have been studying the transfer of hydrogen from dihydroarene donor solvents to arene model compounds to quantify the barriers of competing hydrogen transfer mechanisms. Hydrogen can be transferred between arene rings by a variety of pathways. The specific hydrogen transfer pathway or pathways can be predicted given an understanding of the thermochemistry of the reactants intermediates and products. The individual pathways that contribute to strong bond scission have been shown to be dependent on the dihydroarene donor and the arene acceptor. In this paper they quantify the hydrogen pathways between the solvent components anthracene and phenanthrene. In addition, they describe reaction conditions requiring consideration of an additional hydrogen transfer pathway: a multi-step nonipso hydrogen transfer to coal model compounds to evaluate the hydrogen transfer steps to cleave strong diarylmethane bonds in coal structures.
Date: September 1, 1995
Creator: Autrey, S.T.; Powers, T.; Alborn, E.A.; Camaioni, D.M. & Franz, J.A.
Partner: UNT Libraries Government Documents Department

Selective solvent absorption in coal conversion. Quarterly report, July 1, 1992--September 30, 1992

Description: The objectives of this program include: Determine the importance of the presence of added hydrogen donor compounds within the coal in the first stage of direct liquefaction processes; and to determine the composition of the solvent absorbed by and present within the coal in the first stages of direct coal liquefaction. The scope includes the study of the conversion of Argonne Premium coals in tetralin and 2-t-butyltetralin and a comparison of the following: Conversion to soluble products and product composition. Hydrogen donated by both solvents will be measured by gas chromatography and the same technique will be used to establish the amount of dealkylation of 2-t-butyltetralin. Reactions will be performed at several different temperatures for varying amounts of time.
Date: December 31, 1992
Creator: Larsen, J. W. & Amui, J.
Partner: UNT Libraries Government Documents Department

Progress in donor assisted coal liquefaction: Hydroaromatic compound formation

Description: The role of hydrogen donor compounds in coal liquefaction has been extensively investigated since the mid 1960`s using model compounds and process derived hydrogen donor solvents. Our recent research and that of other investigators have shown that two model compounds in particular have great efficacy in solvating low rank coals. 1,2,3,10b tetrahydrofluoranthene (H{sub 4}Fl) and 1,2,3,6,7,8 hexahydropyrene (H{sub 6}Py) have been used to dissolve Wyodak coal to > 95% soluble material as measured by tetrahydrofuran (THF). Although these hydrogen donors are very effective, they may not be found in any significant concentrations in actual liquefaction process recycle solvents. Therefore, studies with process derived recycle materials are necessary to understand donor solvent chemistry. The objective of this paper is to present results of solvent hydrogenation experiments using heavy distillate solvents produced during testing at the Wilsonville Advanced Coal Liquefaction Test Facility. We evaluated the impact of hydrogenation conditions upon hydrogen donor formation in process derived distillates and compared these process derived solvents with the highly effective H{sub 4}Fl and H{sub 6}Py donors in coal liquefaction tests. This paper presents data on reaction conditions used for distillate hydrotreating and subsequent coal liquefaction, with an aim toward understanding the relationship between reaction conditions and donor solvent quality in recycle distillates.
Date: December 31, 1993
Creator: Kottenstette, R. J. & Stephens, H. P.
Partner: UNT Libraries Government Documents Department