Mechanical Properties of Methane Hydrate: Intrinsic Differences from Ice
Understanding fundamental mechanical behaviors of ice-like crystals is of importance in many engineering aspects. Herein, mechanical characteristics of monocrystalline methane hydrate (MMH) and hexagonal ice (Ih) under mechanical loads are contrasted by atomistic simulations. Effects of engineering...
Published in: | The Journal of Physical Chemistry C |
---|---|
Main Authors: | , , , , |
Format: | Article in Journal/Newspaper |
Language: | English |
Published: |
ACS Publications
2018
|
Subjects: | |
Online Access: | https://oceanrep.geomar.de/id/eprint/47080/ https://oceanrep.geomar.de/id/eprint/47080/1/Cao%20et.al.pdf https://doi.org/10.1021/acs.jpcc.8b06002 |
id |
ftoceanrep:oai:oceanrep.geomar.de:47080 |
---|---|
record_format |
openpolar |
spelling |
ftoceanrep:oai:oceanrep.geomar.de:47080 2023-05-15T17:11:52+02:00 Mechanical Properties of Methane Hydrate: Intrinsic Differences from Ice Cao, Pinqiang Wu, Jianyang Zhang, Zhisen Fang, Bin Ning, Fulong 2018 text https://oceanrep.geomar.de/id/eprint/47080/ https://oceanrep.geomar.de/id/eprint/47080/1/Cao%20et.al.pdf https://doi.org/10.1021/acs.jpcc.8b06002 en eng ACS Publications https://oceanrep.geomar.de/id/eprint/47080/1/Cao%20et.al.pdf Cao, P., Wu, J., Zhang, Z., Fang, B. and Ning, F. (2018) Mechanical Properties of Methane Hydrate: Intrinsic Differences from Ice. Journal of Physical Chemistry C, 122 . pp. 29081-29093. DOI 10.1021/acs.jpcc.8b06002 <https://doi.org/10.1021/acs.jpcc.8b06002>. doi:10.1021/acs.jpcc.8b06002 info:eu-repo/semantics/restrictedAccess Article PeerReviewed 2018 ftoceanrep https://doi.org/10.1021/acs.jpcc.8b06002 2023-04-07T15:46:23Z Understanding fundamental mechanical behaviors of ice-like crystals is of importance in many engineering aspects. Herein, mechanical characteristics of monocrystalline methane hydrate (MMH) and hexagonal ice (Ih) under mechanical loads are contrasted by atomistic simulations. Effects of engineering strain rate, temperature, crystal orientation, and occupancy of guest molecules on the mechanical properties of MMH are investigated. Results show that the engineering strain rate, temperature, and occupancy of guest molecules in 51262 cages greatly affect the mechanical strength and failure strain of MMH, whereas the effect of crystal orientation on the tensile response of MMH such as along the [100] and [110] directions is negligible. Particularly, the occupancy of guest molecules in 51262 cages primarily governs the mechanical strength and elastic limits of MMH. For Ih, it is tensile stiffer than that of MMH at 263.15 K and 10 MPa, and shows unique mechanical characteristics such as tension-induced stiffening and compression-induced remarkable softening under the [0001] directional load. Both crystals demonstrate brittle fracture behavior but different plasticity with dislocation-free in MMH yet dislocation activities in Ih. The intrinsic differences in the mechanical properties of MMH and monocrystalline Ih mainly result from the host–guest molecule interactions and relative angles which tetrahedral hydrogen bonds make to the loading direction. These mechanical characteristics present microscopic insights to understand the mechanical responses of naturally occurring and artificial synthetic gas hydrates. Article in Journal/Newspaper Methane hydrate OceanRep (GEOMAR Helmholtz Centre für Ocean Research Kiel) The Journal of Physical Chemistry C 122 51 29081 29093 |
institution |
Open Polar |
collection |
OceanRep (GEOMAR Helmholtz Centre für Ocean Research Kiel) |
op_collection_id |
ftoceanrep |
language |
English |
description |
Understanding fundamental mechanical behaviors of ice-like crystals is of importance in many engineering aspects. Herein, mechanical characteristics of monocrystalline methane hydrate (MMH) and hexagonal ice (Ih) under mechanical loads are contrasted by atomistic simulations. Effects of engineering strain rate, temperature, crystal orientation, and occupancy of guest molecules on the mechanical properties of MMH are investigated. Results show that the engineering strain rate, temperature, and occupancy of guest molecules in 51262 cages greatly affect the mechanical strength and failure strain of MMH, whereas the effect of crystal orientation on the tensile response of MMH such as along the [100] and [110] directions is negligible. Particularly, the occupancy of guest molecules in 51262 cages primarily governs the mechanical strength and elastic limits of MMH. For Ih, it is tensile stiffer than that of MMH at 263.15 K and 10 MPa, and shows unique mechanical characteristics such as tension-induced stiffening and compression-induced remarkable softening under the [0001] directional load. Both crystals demonstrate brittle fracture behavior but different plasticity with dislocation-free in MMH yet dislocation activities in Ih. The intrinsic differences in the mechanical properties of MMH and monocrystalline Ih mainly result from the host–guest molecule interactions and relative angles which tetrahedral hydrogen bonds make to the loading direction. These mechanical characteristics present microscopic insights to understand the mechanical responses of naturally occurring and artificial synthetic gas hydrates. |
format |
Article in Journal/Newspaper |
author |
Cao, Pinqiang Wu, Jianyang Zhang, Zhisen Fang, Bin Ning, Fulong |
spellingShingle |
Cao, Pinqiang Wu, Jianyang Zhang, Zhisen Fang, Bin Ning, Fulong Mechanical Properties of Methane Hydrate: Intrinsic Differences from Ice |
author_facet |
Cao, Pinqiang Wu, Jianyang Zhang, Zhisen Fang, Bin Ning, Fulong |
author_sort |
Cao, Pinqiang |
title |
Mechanical Properties of Methane Hydrate: Intrinsic Differences from Ice |
title_short |
Mechanical Properties of Methane Hydrate: Intrinsic Differences from Ice |
title_full |
Mechanical Properties of Methane Hydrate: Intrinsic Differences from Ice |
title_fullStr |
Mechanical Properties of Methane Hydrate: Intrinsic Differences from Ice |
title_full_unstemmed |
Mechanical Properties of Methane Hydrate: Intrinsic Differences from Ice |
title_sort |
mechanical properties of methane hydrate: intrinsic differences from ice |
publisher |
ACS Publications |
publishDate |
2018 |
url |
https://oceanrep.geomar.de/id/eprint/47080/ https://oceanrep.geomar.de/id/eprint/47080/1/Cao%20et.al.pdf https://doi.org/10.1021/acs.jpcc.8b06002 |
genre |
Methane hydrate |
genre_facet |
Methane hydrate |
op_relation |
https://oceanrep.geomar.de/id/eprint/47080/1/Cao%20et.al.pdf Cao, P., Wu, J., Zhang, Z., Fang, B. and Ning, F. (2018) Mechanical Properties of Methane Hydrate: Intrinsic Differences from Ice. Journal of Physical Chemistry C, 122 . pp. 29081-29093. DOI 10.1021/acs.jpcc.8b06002 <https://doi.org/10.1021/acs.jpcc.8b06002>. doi:10.1021/acs.jpcc.8b06002 |
op_rights |
info:eu-repo/semantics/restrictedAccess |
op_doi |
https://doi.org/10.1021/acs.jpcc.8b06002 |
container_title |
The Journal of Physical Chemistry C |
container_volume |
122 |
container_issue |
51 |
container_start_page |
29081 |
op_container_end_page |
29093 |
_version_ |
1766068626241093632 |