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Title: The role of model compound studies in coal research

Abstract

The extraordinarily complex chemical and physical structure of coals continues to present coal scientists with major challenges in advancing the base of scientific knowledge required for the development of substantially improved coal utilization technologies. As a consequence, model compound studies play a foundational role in advancing coal science. Model compounds are employed in studies for: (a) determination of kinetic and mechanistic information relevant to coal pyrolysis and liquefaction chemistry, and to computational modeling of these processes; (b) development of new catalysts for coal conversion or upgrading of coal-derived liquids; (c) development and benchmarking of various spectroscopic methods for analysis of coal structure and constitution by NMR, FTIR, mass spectrometry, X-ray techniques (XPS, XANES), etc.; and, (d) exploration and development of new chemical reactions for coal such as deploymerization under mild conditions, selective heteroatom removal etc. The choice of a model compound should not be prescribed, and the rational for the selection can vary with the goal of the research. The breadth of use of model compounds in coal research precludes a thorough examination in this report.

Authors:
;
Publication Date:
Research Org.:
Oak Ridge National Lab., TN (United States)
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
10127722
Report Number(s):
CONF-940301-16
ON: DE94007210
DOE Contract Number:  
AC05-84OR21400
Resource Type:
Conference
Resource Relation:
Conference: 207. spring national meeting of the American Chemical Society (ACS),San Diego, CA (United States),13-18 Mar 1994; Other Information: PBD: [1994]
Country of Publication:
United States
Language:
English
Subject:
01 COAL, LIGNITE, AND PEAT; COAL; STRUCTURAL MODELS; USES; PYROLYSIS; COAL LIQUEFACTION; NUCLEAR MAGNETIC RESONANCE; FOURIER TRANSFORMATION; INFRARED SPECTRA; 010600; PROPERTIES AND COMPOSITION

Citation Formats

Buchanan, A.C. III, and Britt, P.F.. The role of model compound studies in coal research. United States: N. p., 1994. Web.
Buchanan, A.C. III, & Britt, P.F.. The role of model compound studies in coal research. United States.
Buchanan, A.C. III, and Britt, P.F.. Tue . "The role of model compound studies in coal research". United States. https://www.osti.gov/servlets/purl/10127722.
@article{osti_10127722,
title = {The role of model compound studies in coal research},
author = {Buchanan, A.C. III and Britt, P.F.},
abstractNote = {The extraordinarily complex chemical and physical structure of coals continues to present coal scientists with major challenges in advancing the base of scientific knowledge required for the development of substantially improved coal utilization technologies. As a consequence, model compound studies play a foundational role in advancing coal science. Model compounds are employed in studies for: (a) determination of kinetic and mechanistic information relevant to coal pyrolysis and liquefaction chemistry, and to computational modeling of these processes; (b) development of new catalysts for coal conversion or upgrading of coal-derived liquids; (c) development and benchmarking of various spectroscopic methods for analysis of coal structure and constitution by NMR, FTIR, mass spectrometry, X-ray techniques (XPS, XANES), etc.; and, (d) exploration and development of new chemical reactions for coal such as deploymerization under mild conditions, selective heteroatom removal etc. The choice of a model compound should not be prescribed, and the rational for the selection can vary with the goal of the research. The breadth of use of model compounds in coal research precludes a thorough examination in this report.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {1994},
month = {3}
}

Conference:
Other availability
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