skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Solvent tailoring in coal liquefaction. Quarterly report, October 1983-December 1983

Abstract

The contribution of transferable hydrogen in coal-derived solvents to coal conversion was investigated in a two-step process. Initially, the amount of transferable hydrogen in the coal-derived solvents was analyzed by spectroscopic methods and by catalytic dehydrogenation. The spectroscopic methods included carbon magnetic resonance, proton magnetic resonance as well as a combination of these two methods. Three of the methods gave nearly equivalent quantities for the amount of transferable hydrogen present in the complex coal liquids. Coal conversion determined in each of the coal-derived solvents was correlated to the amount of transferable hydrogen present. The contribution of transferable hydrogen is a significant factor in coal dissolution and the presence of saturates and hexane insolubles compounds in these solvents may have a detrimental effect on coal dissolution. 20 references, 9 figures, 2 tables.

Authors:
; ; ;
Publication Date:
Research Org.:
Auburn Univ., AL (USA). Coal Conversion Lab.
OSTI Identifier:
7090357
Report Number(s):
DOE/PC/30209-T7
ON: DE84014513
DOE Contract Number:
FG22-80PC30209
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
01 COAL, LIGNITE, AND PEAT; COAL LIQUEFACTION; EXPERIMENTAL DATA; COAL LIQUIDS; HYDROGEN TRANSFER; DEHYDROGENATION; CATALYSTS; CORRELATIONS; MEASURING METHODS; ORGANIC SOLVENTS; HYDROGENATION; BENCH-SCALE EXPERIMENTS; CALCULATION METHODS; CARBON 13; HYDROGEN 1; NUCLEAR MAGNETIC RESONANCE; CARBON ISOTOPES; CHEMICAL REACTIONS; DATA; EVEN-ODD NUCLEI; FLUIDS; HYDROGEN ISOTOPES; INFORMATION; ISOTOPES; LIGHT NUCLEI; LIQUEFACTION; LIQUIDS; MAGNETIC RESONANCE; NUCLEI; NUMERICAL DATA; ODD-EVEN NUCLEI; RESONANCE; SOLVENTS; STABLE ISOTOPES; THERMOCHEMICAL PROCESSES; 010405* - Coal, Lignite, & Peat- Hydrogenation & Liquefaction

Citation Formats

Tarrer, A.R., Curtis, C.W., Guin, J.A., and Williams, D.C.. Solvent tailoring in coal liquefaction. Quarterly report, October 1983-December 1983. United States: N. p., 1983. Web. doi:10.2172/7090357.
Tarrer, A.R., Curtis, C.W., Guin, J.A., & Williams, D.C.. Solvent tailoring in coal liquefaction. Quarterly report, October 1983-December 1983. United States. doi:10.2172/7090357.
Tarrer, A.R., Curtis, C.W., Guin, J.A., and Williams, D.C.. Fri . "Solvent tailoring in coal liquefaction. Quarterly report, October 1983-December 1983". United States. doi:10.2172/7090357. https://www.osti.gov/servlets/purl/7090357.
@article{osti_7090357,
title = {Solvent tailoring in coal liquefaction. Quarterly report, October 1983-December 1983},
author = {Tarrer, A.R. and Curtis, C.W. and Guin, J.A. and Williams, D.C.},
abstractNote = {The contribution of transferable hydrogen in coal-derived solvents to coal conversion was investigated in a two-step process. Initially, the amount of transferable hydrogen in the coal-derived solvents was analyzed by spectroscopic methods and by catalytic dehydrogenation. The spectroscopic methods included carbon magnetic resonance, proton magnetic resonance as well as a combination of these two methods. Three of the methods gave nearly equivalent quantities for the amount of transferable hydrogen present in the complex coal liquids. Coal conversion determined in each of the coal-derived solvents was correlated to the amount of transferable hydrogen present. The contribution of transferable hydrogen is a significant factor in coal dissolution and the presence of saturates and hexane insolubles compounds in these solvents may have a detrimental effect on coal dissolution. 20 references, 9 figures, 2 tables.},
doi = {10.2172/7090357},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 01 00:00:00 EDT 1983},
month = {Fri Jul 01 00:00:00 EDT 1983}
}

Technical Report:

Save / Share:
  • A simple kinetic model, including a first-order catalyst deactivation rate, was applied to the upgrading of coal-derived feedstocks prepared from two solvent-refined coal fractions. A catalyst deactivation mechanism was proposed which involves the adsorption and surface reaction of coke precursors on active catalytic sites. The effect of feedstock composition, temperature, and pressure on kinetic parameters and, in particular, the catalyst deactivation rate, was determined. 21 references, 6 figures, 7 tables.
  • A series of twenty-three aromatic compounds were ranked for their donor solvent efficacy for the dissolution of Western Kentucky No. 9/14 coal. The transfer of hydrogen from the solvent to the coal fragments, as measured by coal conversion, was examined at three levels of available hydrogen. The hydrogen donors are ranked according to their ability to convert coal to THF solubles. Aromatic analogs of the donors showed little ability to convert coal to THF solubles. Factors which influence hydrogen donation include the presence of heteroatoms or substituents both internal and external to the aromatic or hydroaromatic rings, the degree ofmore » hydrogenation, the aromaticity or nonaromaticity of the hydroaromatics, and the presence of five-membered rings. A relationship between heats of formation and hydrogen donor ability is shown for hydroaromatics within two ring or three ring homologous series. A model hydrogen acceptor, benzophenone, is also used to rank donors. No correlation exists in the ranking of hydrogen donors by the model acceptor used in this work and in other experimental studies and that obtained by conversion of Western Kentucky coal at typical liquefaction conditions. 24 references.« less
  • The objective of this work is to investigate areas of science and technology that have been defined as being of prime interest to coal processing technology development. These areas include properties of coal liquids and slurries, reactor design and performance in relation to reaction mechanisms. The work comprises investigations of the following high priority areas. Reaction kinetics and reactor performance in direct coal liquefaction; role of catalysts in indirect liquefaction and direct coal liquefaction; and physical, chemical and thermodynamic properties of coal liquefaction products. Work during the last quarter has largely been devoted to seaching the Liquefaction Technology Data Basemore » and other relevant sources for literature citations. A detailed description of work in each of the three tasks is given. Six abstracts which were prepared in connection with the PCT properties of coal liquids are attached as an Appendix.« less
  • Experimental work has been initiated with the objective of establishing procedures capable of identifying and quantifying key chemical linkages in the coal, coal extract, and process solvent used in a two-stage coal liquefaction process. The experimental work carried out during this period has been directed to (1) selection and preparation of a model compound having a structure similar to those of basic structural elements of the coal used in the process, (2) physical characterization of the coal extract and the process solvent, (3) catalytic dehydrogenation of model compounds, and (4) acid-catalyzed depolymerization of a sample of the coal. Illinois No.more » 6 coal was used in this work. This coal has been used as a feedstock in the Integrated Two-Stage Liquefaction Process Development Unit (PDU) being operated by the C.E. Lummus Company. Experiments have been carried out using a number of solvents in the dehydrogenation of tetralin and the model compound described above. Durene and quinoline have been found most effective in achieving a near approach (85 to 91%) to the theoretical hydrogen yield in tetralin dehydrogenation. The process solvent from the Lummus PDU has been characterized by distillation, NMR spectroscopy, and molecular weight measurements. Analysis of the Lummus PDU extract has been initiated. Depolymerization of coal and process solvent using phenol and BF/sub 3/ is being conducted to establish the number and type of alkyl bridges in these materials. The initial experiments have defined the conditions for the depolymerization reaction and the detailed procedures to be used in conducting the solvent fractionation of the reaction products. 15 refs., 15 figs., 11 tabs.« less
  • Research was extended to study the effects of liquefaction variables on yield structures. Experimental conditions were carefully chosen to examine the effects of temperature, solvent density and reaction time on Illinois No. 6 coal and a Wyodak subbituminous coal. Elemental analysis of a solid sample derived from Illinois No. 6 coal was also performed. While temperature is the most important variable to the amount of ammonia extract, the data also demonstrate the potential significance of using polar nucleophilic compounds in supercritical fluid extraction of coal. First, conversion to ammonia extract increases with increasing NH/sub 3/ density. The effect of solventmore » density on Illinois No. 6 coal is more notable than Wyodak coal. This indicates that the process could involve other limiting factors such as mass transfer and solubility. Second, in comparison with published liquefaction work, ammonia provides higher conversions than other chemically inert, non-polar, non-nucleophilic, supercritical fluids. This intimates the chemical role of nitrogen-containing compounds. Ammonia almost completely removes the sulfur in Illinois No. 6 coal. However, elemental analysis also shows 3.4 nitrogen adduction per 100 gram of coal. 27 references, 7 figures, 4 tables.« less