Molecular Simulation of the Phase Diagram of Methane Hydrate: Free Energy Calculations, Direct Coexistence Method, and Hyperparallel Tempering
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Online Access: | https://hal.archives-ouvertes.fr/hal-01898338 https://doi.org/10.1021/acs.langmuir.7b02238 |
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ftccsdartic:oai:HAL:hal-01898338v1 2023-05-15T17:11:26+02:00 Molecular Simulation of the Phase Diagram of Methane Hydrate: Free Energy Calculations, Direct Coexistence Method, and Hyperparallel Tempering Jin, Dongliang Coasne, Benoit Laboratoire Interdisciplinaire de Physique Saint Martin d’Hères (LIPhy) Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes 2016-2019 (UGA 2016-2019 ) 2017-09-15 https://hal.archives-ouvertes.fr/hal-01898338 https://doi.org/10.1021/acs.langmuir.7b02238 en eng HAL CCSD American Chemical Society info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.langmuir.7b02238 hal-01898338 https://hal.archives-ouvertes.fr/hal-01898338 doi:10.1021/acs.langmuir.7b02238 ISSN: 0743-7463 EISSN: 1520-5827 Langmuir https://hal.archives-ouvertes.fr/hal-01898338 Langmuir, American Chemical Society, 2017, 33 (42), pp.11217 - 11230. ⟨10.1021/acs.langmuir.7b02238⟩ [PHYS]Physics [physics] info:eu-repo/semantics/article Journal articles 2017 ftccsdartic https://doi.org/10.1021/acs.langmuir.7b02238 2021-11-07T02:38:56Z International audience Article in Journal/Newspaper Methane hydrate Archive ouverte HAL (Hyper Article en Ligne, CCSD - Centre pour la Communication Scientifique Directe) Langmuir 33 42 11217 11230 |
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Archive ouverte HAL (Hyper Article en Ligne, CCSD - Centre pour la Communication Scientifique Directe) |
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ftccsdartic |
language |
English |
topic |
[PHYS]Physics [physics] |
spellingShingle |
[PHYS]Physics [physics] Jin, Dongliang Coasne, Benoit Molecular Simulation of the Phase Diagram of Methane Hydrate: Free Energy Calculations, Direct Coexistence Method, and Hyperparallel Tempering |
topic_facet |
[PHYS]Physics [physics] |
description |
International audience |
author2 |
Laboratoire Interdisciplinaire de Physique Saint Martin d’Hères (LIPhy) Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes 2016-2019 (UGA 2016-2019 ) |
format |
Article in Journal/Newspaper |
author |
Jin, Dongliang Coasne, Benoit |
author_facet |
Jin, Dongliang Coasne, Benoit |
author_sort |
Jin, Dongliang |
title |
Molecular Simulation of the Phase Diagram of Methane Hydrate: Free Energy Calculations, Direct Coexistence Method, and Hyperparallel Tempering |
title_short |
Molecular Simulation of the Phase Diagram of Methane Hydrate: Free Energy Calculations, Direct Coexistence Method, and Hyperparallel Tempering |
title_full |
Molecular Simulation of the Phase Diagram of Methane Hydrate: Free Energy Calculations, Direct Coexistence Method, and Hyperparallel Tempering |
title_fullStr |
Molecular Simulation of the Phase Diagram of Methane Hydrate: Free Energy Calculations, Direct Coexistence Method, and Hyperparallel Tempering |
title_full_unstemmed |
Molecular Simulation of the Phase Diagram of Methane Hydrate: Free Energy Calculations, Direct Coexistence Method, and Hyperparallel Tempering |
title_sort |
molecular simulation of the phase diagram of methane hydrate: free energy calculations, direct coexistence method, and hyperparallel tempering |
publisher |
HAL CCSD |
publishDate |
2017 |
url |
https://hal.archives-ouvertes.fr/hal-01898338 https://doi.org/10.1021/acs.langmuir.7b02238 |
genre |
Methane hydrate |
genre_facet |
Methane hydrate |
op_source |
ISSN: 0743-7463 EISSN: 1520-5827 Langmuir https://hal.archives-ouvertes.fr/hal-01898338 Langmuir, American Chemical Society, 2017, 33 (42), pp.11217 - 11230. ⟨10.1021/acs.langmuir.7b02238⟩ |
op_relation |
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.langmuir.7b02238 hal-01898338 https://hal.archives-ouvertes.fr/hal-01898338 doi:10.1021/acs.langmuir.7b02238 |
op_doi |
https://doi.org/10.1021/acs.langmuir.7b02238 |
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Langmuir |
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33 |
container_issue |
42 |
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11217 |
op_container_end_page |
11230 |
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1766068226764046336 |