Control of the chemical structure of perhydrous coals. FTIR and Py-GC/MS investigations

This work analyses a set of perhydrous coals (mainly composed of huminite/vitrinite maceral group) in order to determine the inter-relations between the hydrogen content and the modifications in the coal structure at a molecular level. The study involves the direct solid state characterisation of th...

Full description

Bibliographic Details
Authors: Iglesias, María José, Río Andrade, José Carlos del, Laggoun-Défarge, Fatima, Cuesta, María José, Suárez Ruiz, Isabel
Format: article
Publication Date:2002
Country:España
Institution:Consejo Superior de Investigaciones Científicas (CSIC)
Repository:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/2606
Online Access:http://hdl.handle.net/10261/2606
Access Level:Open access
Keyword:Coal
Perhydrous vitrinites
Reflectance suppression
Chemical structure
Coal structure
FTIR
Py-GC/MS
id ES_5f683f4cc3a2b7285a87ccd4ffe487d3
oai_identifier_str oai:digital.csic.es:10261/2606
network_acronym_str ES
network_name_str España
repository_id_str
spelling Control of the chemical structure of perhydrous coals. FTIR and Py-GC/MS investigationsIglesias, María JoséRío Andrade, José Carlos delLaggoun-Défarge, FatimaCuesta, María JoséSuárez Ruiz, IsabelCoalPerhydrous vitrinitesReflectance suppressionChemical structureCoal structureFTIRPy-GC/MSThis work analyses a set of perhydrous coals (mainly composed of huminite/vitrinite maceral group) in order to determine the inter-relations between the hydrogen content and the modifications in the coal structure at a molecular level. The study involves the direct solid state characterisation of the coal combined with the analysis of representative fragments of the coal network obtained through flash-pyrolysis. The perhydrous character of the coals is not reflected either in the aliphatic hydrogen concentration (from FTIR data) or by the presence of straight-chain aliphatic moieties in the pyrolysates. This structural study shows that perhydrous coals contain mainly aromatic structures with 1–2 rings and a very small concentration of aromatic rings of large size. In agreement with this, phenol and alkyl phenols are the most prominent degradation products whereas other aromatic compounds (mainly benzene and naphthalene derivatives) are minor and probably evaporative compounds. The major structural elements in the samples studied are simple phenols with a preponderance of substituted para alkyl. The results obtained show that the processes of hydrogen enrichment affect the reactions of aromatisation and condensation. During the natural evolution of the perhydrous coals the transformations of the oxygenated functionalities in the lignin precursor seem to have taken place without the parallel structural reorganisation of the lignin framework responsible for the formation of polycyclic aromatic systems. As a result, the chemical structure of perhydrous vitrinites in coals is substantially modified with respect to that described in ‘normal' coals. The results obtained also indicate that the source of hydrogen content and the effect that it has during the subsequent evolution process of the coals, affects the chemical structure of the perhydrous vitrinite and hence its properties and behaviour.Financial support for this work was provided through a contract with the European Community (No. 7220/EC-769).Peer reviewedElsevierEuropean Commission200720072002info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501550539 bytesapplication/pdfhttp://hdl.handle.net/10261/2606reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttp://dx.doi.org/10.1016/S0165-2370(00)00209-6info:eu-repo/semantics/openAccessoai:digital.csic.es:10261/26062026-05-22T06:33:51Z
dc.title.none.fl_str_mv Control of the chemical structure of perhydrous coals. FTIR and Py-GC/MS investigations
title Control of the chemical structure of perhydrous coals. FTIR and Py-GC/MS investigations
spellingShingle Control of the chemical structure of perhydrous coals. FTIR and Py-GC/MS investigations
Iglesias, María José
Coal
Perhydrous vitrinites
Reflectance suppression
Chemical structure
Coal structure
FTIR
Py-GC/MS
title_short Control of the chemical structure of perhydrous coals. FTIR and Py-GC/MS investigations
title_full Control of the chemical structure of perhydrous coals. FTIR and Py-GC/MS investigations
title_fullStr Control of the chemical structure of perhydrous coals. FTIR and Py-GC/MS investigations
title_full_unstemmed Control of the chemical structure of perhydrous coals. FTIR and Py-GC/MS investigations
title_sort Control of the chemical structure of perhydrous coals. FTIR and Py-GC/MS investigations
dc.creator.none.fl_str_mv Iglesias, María José
Río Andrade, José Carlos del
Laggoun-Défarge, Fatima
Cuesta, María José
Suárez Ruiz, Isabel
author Iglesias, María José
author_facet Iglesias, María José
Río Andrade, José Carlos del
Laggoun-Défarge, Fatima
Cuesta, María José
Suárez Ruiz, Isabel
author_role author
author2 Río Andrade, José Carlos del
Laggoun-Défarge, Fatima
Cuesta, María José
Suárez Ruiz, Isabel
author2_role author
author
author
author
dc.contributor.none.fl_str_mv European Commission
dc.subject.none.fl_str_mv Coal
Perhydrous vitrinites
Reflectance suppression
Chemical structure
Coal structure
FTIR
Py-GC/MS
topic Coal
Perhydrous vitrinites
Reflectance suppression
Chemical structure
Coal structure
FTIR
Py-GC/MS
description This work analyses a set of perhydrous coals (mainly composed of huminite/vitrinite maceral group) in order to determine the inter-relations between the hydrogen content and the modifications in the coal structure at a molecular level. The study involves the direct solid state characterisation of the coal combined with the analysis of representative fragments of the coal network obtained through flash-pyrolysis. The perhydrous character of the coals is not reflected either in the aliphatic hydrogen concentration (from FTIR data) or by the presence of straight-chain aliphatic moieties in the pyrolysates. This structural study shows that perhydrous coals contain mainly aromatic structures with 1–2 rings and a very small concentration of aromatic rings of large size. In agreement with this, phenol and alkyl phenols are the most prominent degradation products whereas other aromatic compounds (mainly benzene and naphthalene derivatives) are minor and probably evaporative compounds. The major structural elements in the samples studied are simple phenols with a preponderance of substituted para alkyl. The results obtained show that the processes of hydrogen enrichment affect the reactions of aromatisation and condensation. During the natural evolution of the perhydrous coals the transformations of the oxygenated functionalities in the lignin precursor seem to have taken place without the parallel structural reorganisation of the lignin framework responsible for the formation of polycyclic aromatic systems. As a result, the chemical structure of perhydrous vitrinites in coals is substantially modified with respect to that described in ‘normal' coals. The results obtained also indicate that the source of hydrogen content and the effect that it has during the subsequent evolution process of the coals, affects the chemical structure of the perhydrous vitrinite and hence its properties and behaviour.
publishDate 2002
dc.date.none.fl_str_mv 2002
2007
2007
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/2606
url http://hdl.handle.net/10261/2606
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://dx.doi.org/10.1016/S0165-2370(00)00209-6
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 550539 bytes
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869409204021755904
score 15,81155

Similar Items