Zobrazeno 1 - 9 of 9 pro vyhledávání: '"Pierre-Louis Valdenaire"'
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How chemical defects influence the charging of nanoporous carbon supercapacitors
Autor: Romain Dupuis, Pierre-Louis Valdenaire, Roland J.-M. Pellenq, Katerina Ioannidou
Publikováno v: Proceedings of the National Academy of Sciences of the United States of America
Proceedings of the National Academy of Sciences of the United States of America, National Academy of Sciences, 2022, 119 (17), ⟨10.1073/pnas.2121945119⟩
Significance Nanoporous carbon texture makes fundamental understanding of the electrochemical processes challenging. Based on density functional theory (DFT) results, the proposed atomistic approach takes into account topological and chemical defects
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0cc5f6cb74bca85bd90a51f1e93e35af
https://pubmed.ncbi.nlm.nih.gov/35439053
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4
A simple way to use X-ray micro-tomography to infer elastic properties of heterogeneous materials: application to sedimentary rocks
Autor: Jonathan Perrin, Olivier Grauby, Pierre-Louis Valdenaire, Roland J.-M. Pellenq, Franz-Josef Ulm
Publikováno v: Springer US
Macroscopic mechanical properties of materials depend directly on their microstructure. Microscopy, and more specifically tomography, is a key method for studying microstructures. Here, we propose a simple way to use an X-ray tomogram to infer local
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f6559228664f43e85b2f5824e8dfa89c
https://doi.org/10.1007/s10853-019-04241-w
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5
Simulating the Geological Fate of Terrestrial Organic Matter: Lignin vs Cellulose
Autor: Jean-Marc Leyssale, Christophe Bichara, Henri Van Damme, Pierre-Louis Valdenaire, Franz J. Ulm, Adri C. T. van Duin, Lea Atmani, Roland J.-M. Pellenq
Publikováno v: Energy & Fuels
Energy & Fuels, 2020, 34 (2), pp.1537-1547. ⟨10.1021/acs.energyfuels.9b03681⟩
Energy and Fuels
Energy and Fuels, American Chemical Society, 2020, 34 (2), pp.1537-1547. ⟨10.1021/acs.energyfuels.9b03681⟩
International audience; While shale gas has become a major source of energy, a more sustainable recovery requires better understanding of the gas/kerogen matrix interactions. Here we use replica exchange molecular dynamics to investigate the geologic
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2cd9fbd954247cd5e8fdad1732ec777f
https://hal.science/hal-02491070/file/lignin_vs_cellulose.pdf
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6
Timescale prediction of complex multi-barrier pathways using flux sampling molecular dynamics and 1D kinetic integration: Application to cellulose dehydration
Autor: Roland J.-M. Pellenq, Jean-Marc Leyssale, Pierre-Louis Valdenaire, Franz J. Ulm, Adri C. T. van Duin
Publikováno v: Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2020, 152 (2), pp.024123. ⟨10.1063/1.5126391⟩
Journal of Chemical Physics, 2020, 152 (2), pp.024123. ⟨10.1063/1.5126391⟩
International audience; Reactive molecular dynamics simulations, especially those employing acceleration techniques, can provide useful insights on the mechanism underlying the transformation of buried organic matter, yet, so far, it remains extremel
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eb7bdf17670d226d3dd8fcdb3591e6ab
https://hal.archives-ouvertes.fr/hal-03018519/document
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7
A reaction model for cement solidification: Evolving the C–S–H packing density at the micrometer-scale
Autor: Roland J.-M. Pellenq, Pierre-Louis Valdenaire, Franz-Josef Ulm, Thomas Petersen
Publikováno v: Journal of the Mechanics and Physics of Solids. 118:58-73
Cement paste is a multiphase material of complex chemistry, of which 60% by volume is typically composed of calcium–silicate–hydrates (C–S–H), the phase that lends the material its strength and stiffness. Moreover, it has been shown that the
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5fdf5fce3d1882b72e1477c1eb4f483f
https://doi.org/10.1016/j.jmps.2018.05.010
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8
Methane Diffusion in a Flexible Kerogen Matrix
Autor: Roland J.-M. Pellenq, Franz-Josef Ulm, Pierre-Louis Valdenaire, Jean-Marc Leyssale, Amaël Obliger
Publikováno v: Journal of Physical Chemistry B
Journal of Physical Chemistry B, American Chemical Society, 2019, 123 (26), pp.5635-5640. ⟨10.1021/acs.jpcb.9b03266⟩
Journal of Physical Chemistry B, 2019, 123 (26), pp.5635-5640. ⟨10.1021/acs.jpcb.9b03266⟩
It has been recognized that the microporosity of shale organic matter, especially that of kerogen, strongly affects the hydrocarbon recovery process from unconventional reservoirs. So far, the numerical studies on hydrocarbon transport through the mi
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::56a3e77edaf064500daa481e70b35436
https://hal.archives-ouvertes.fr/hal-02372074
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9
Poroelasticity of Methane-Loaded Mature and Immature Kerogen from Molecular Simulations
Autor: Amaël Obliger, Nicolas Capit, Pierre-Louis Valdenaire, Roland J.-M. Pellenq, Franz J. Ulm, Jean-Marc Leyssale
Publikováno v: Langmuir
Langmuir, American Chemical Society, 2018, 34 (45), pp.13766-13780. ⟨10.1021/acs.langmuir.8b02534⟩
Langmuir, 2018, 34 (45), pp.13766-13780. ⟨10.1021/acs.langmuir.8b02534⟩
International audience; While hydrocarbon expulsion from kerogen is certainly the key step in shale oil/gas recovery, the poromechanical couplings governing this desorption process, taking place under a significant pressure gradient, are still poorly
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::97a242ca2de3948fa0331a0178fdaeb5
https://hal.archives-ouvertes.fr/hal-01958679
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