Molecular Simulation of the Phase Diagram of Methane Hydrate: Free Energy Calculations, Direct Coexistence Method, and Hyperparallel Tempering

International audience

Bibliographic Details
Published in:Langmuir
Main Authors: Jin, Dongliang, Coasne, Benoit
Other Authors: 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
Language:English
Published: HAL CCSD 2017
Subjects:
[PHYS]Physics [physics]
Methane hydrate
Online Access:https://hal.science/hal-01898338
https://doi.org/10.1021/acs.langmuir.7b02238
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spelling ftunigrenoble:oai:HAL:hal-01898338v1 2024-05-12T08:06:57+00:00 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.science/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.science/hal-01898338 doi:10.1021/acs.langmuir.7b02238 ISSN: 0743-7463 EISSN: 1520-5827 Langmuir https://hal.science/hal-01898338 Langmuir, 2017, 33 (42), pp.11217 - 11230. ⟨10.1021/acs.langmuir.7b02238⟩ [PHYS]Physics [physics] info:eu-repo/semantics/article Journal articles 2017 ftunigrenoble https://doi.org/10.1021/acs.langmuir.7b02238 2024-04-18T03:54:12Z International audience Article in Journal/Newspaper Methane hydrate Université Grenoble Alpes: HAL Langmuir 33 42 11217 11230
institution Open Polar
collection Université Grenoble Alpes: HAL
op_collection_id ftunigrenoble
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.science/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.science/hal-01898338
Langmuir, 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.science/hal-01898338
doi:10.1021/acs.langmuir.7b02238
op_doi https://doi.org/10.1021/acs.langmuir.7b02238
container_title Langmuir
container_volume 33
container_issue 42
container_start_page 11217
op_container_end_page 11230
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