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Realistic molecular model of kerogen's nanostructure

Bousige, Colin ; Ghimbeu, Camélia Matei ; Vix-Guterl, Cathie ; Pomerantz, Andrew E ; Suleimenova, Assiya ; Vaughan, Gavin ; Garbarino, Gaston ; Feygenson, Mikhail ; Wildgruber, Christoph ; Ulm, Franz-Josef ; Pellenq, Roland J-M ; Coasne, Benoit

Nature materials, 2016-05, Vol.15 (5), p.576-582 [Periódico revisado por pares]

England: Nature Publishing Group

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Título:
Realistic molecular model of kerogen's nanostructure
Autor: Bousige, Colin ; Ghimbeu, Camélia Matei ; Vix-Guterl, Cathie ; Pomerantz, Andrew E ; Suleimenova, Assiya ; Vaughan, Gavin ; Garbarino, Gaston ; Feygenson, Mikhail ; Wildgruber, Christoph ; Ulm, Franz-Josef ; Pellenq, Roland J-M ; Coasne, Benoit
Assuntos: Backbone ; Crossovers ; Hydrocarbons ; Kerogen ; Mathematical models ; Nanostructure ; Nanostructured materials ; Panels ; Physics ; Rocks ; Shale ; Shale gas
É parte de: Nature materials, 2016-05, Vol.15 (5), p.576-582
Notas: ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
Descrição: Despite kerogen's importance as the organic backbone for hydrocarbon production from source rocks such as gas shale, the interplay between kerogen's chemistry, morphology and mechanics remains unexplored. As the environmental impact of shale gas rises, identifying functional relations between its geochemical, transport, elastic and fracture properties from realistic molecular models of kerogens becomes all the more important. Here, by using a hybrid experimental-simulation method, we propose a panel of realistic molecular models of mature and immature kerogens that provide a detailed picture of kerogen's nanostructure without considering the presence of clays and other minerals in shales. We probe the models' strengths and limitations, and show that they predict essential features amenable to experimental validation, including pore distribution, vibrational density of states and stiffness. We also show that kerogen's maturation, which manifests itself as an increase in the sp(2)/sp(3) hybridization ratio, entails a crossover from plastic-to-brittle rupture mechanisms.
Editor: England: Nature Publishing Group
Idioma: Inglês

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Realistic molecular model of kerogen's nanostructure

Bousige, Colin ; Ghimbeu, Camélia Matei ; Vix-Guterl, Cathie ; Pomerantz, Andrew E ; Suleimenova, Assiya ; Vaughan, Gavin ; Garbarino, Gaston ; Feygenson, Mikhail ; Wildgruber, Christoph ; Ulm, Franz-Josef ; Pellenq, Roland J-M ; Coasne, Benoit

England: Nature Publishing Group

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