Titre :

Infrared spectroscopy quantification of functional carbon groups in kerogens and coals: A calibration procedure

Auteur(s) :

Phan, Van T.H. [Auteur]
Institut de Planétologie et d'Astrophysique de Grenoble [IPAG]
Quirico, Eric [Auteur]
Institut de Planétologie et d'Astrophysique de Grenoble [IPAG ]
Beck, Pierre [Auteur]
Institut de Planétologie et d'Astrophysique de Grenoble [IPAG]
Le Brech, Yann [Auteur]
Laboratoire Réactions et Génie des Procédés [LRGP]
Jovanovic, Lora [Auteur]
PLANETO - LATMOS
Le Guillou, Corentin [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Bernard, Sylvain [Auteur]
Institut de minéralogie, de physique des matériaux et de cosmochimie [IMPMC]
Bonal, Lydie [Auteur]
Institut de Planétologie et d'Astrophysique de Grenoble [IPAG ]
Carrasco, Nathalie [Auteur]
PLANETO - LATMOS
Gautier, Thomas [Auteur]
PLANETO - LATMOS
Raya, Jesus [Auteur]
Institut de Chimie de Strasbourg [IC]

Titre de la revue :

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [1994-...]

Nom court de la revue :

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Numéro :

259

Pagination :

119853

Éditeur :

Elsevier BV

Date de publication :

2021-10

ISSN :

1386-1425

Discipline(s) HAL :

Chimie/Matériaux
Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]
Physique [physics]/Physique [physics]/Géophysique [physics.geo-ph]
Physique [physics]/Physique [physics]/Géophysique [physics.geo-ph]
Planète et Univers [physics]/Astrophysique [astro-ph]
Planète et Univers [physics]/Sciences de la Terre

Résumé en anglais : [en]

The determination of the abundances of the CHx, C = O and aromatic groups in chondritic Insoluble Organic Matter (IOM) and coals by Infrared (IR) spectroscopy is a challenging issue due to insufficient knowledge on the ...
Lire la suite >The determination of the abundances of the CHx, C = O and aromatic groups in chondritic Insoluble Organic Matter (IOM) and coals by Infrared (IR) spectroscopy is a challenging issue due to insufficient knowledge on the absorption cross-sections and their sensitivity to the molecular environment. Here, we report a calibration approach based on a 13C synthetic model material whose composition was unambiguously determined by Direct-Pulse/Magic Angle Spinning Nuclear Magnetic Resonance (DP/MAS NMR). Ratios of the cross-sections of the CHx, C = O and aromatic groups have been determined, and the method has been applied to IOM samples extracted from four chondrites as Orgueil (CI), Murchison (CM), Tagish Lake (C2-ungrouped) and EET 92042 (CR2), and to a series of coals. The estimate of the aliphatic to aromatic carbon ratio (nCHx/nAro) in IOM samples from Orgueil, Murchison and Tagish Lake chondrites is in good agreement with Single-Pulse/NMR estimates earlier published, and is lower by a factor of 1.3 in the case of the CR chondrite EET 92042 (but the error bars overlap). In contrast, the aliphatic to carbonyl ratio (nCHx/nC=O) is overestimated for the four chondrites. These discrepancies are likely due to the control of the absorption cross-section of the C = O and C = C bonds by the local molecular environment. Regarding coals, the use of published NMR analyses has brought to light that the integrated cross-section ratio ACHx/AAro varies with the vitrinite reflectance over an order of magnitude. Here as well, the local oxygen speciation plays a critical control in AAro, which decreases with increasing the vitrinite reflectance. We provide an analytical law that links ACHx/AAro and vitrinite reflectance, which will allow the determination of nCHx/nAro for any coal sample, provided its vitrinite reflectance is known.Lire moins >

Langue :

Anglais

Comité de lecture :

Oui

Audience :

Internationale

Vulgarisation :

Non

Établissement(s) :

Université de Lille
CNRS
INRA
ENSCL

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Équipe(s) de recherche :

Matériaux Terrestres et Planétaires

Date de dépôt :

2021-11-18T15:24:22Z
2021-11-22T12:51:14Z