Modeling the Mechanisms of Clay Damage by Molecular Dynamic Simulation
We carried out MD simulations to review the mechanisms of clay damage under hydration, the manners clays interact with water and cations, and the structures they form in between aluminosilicate sheets and offered an alternative explanation as to how clay structures become instable after certain wate...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2017-01-01
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| Series: | Geofluids |
| Online Access: | http://dx.doi.org/10.1155/2017/1747068 |
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| _version_ | 1850218742156361728 |
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| author | Luchao Jin Ahmad Jamili Liangliang Huang Felipe Perez |
| author_facet | Luchao Jin Ahmad Jamili Liangliang Huang Felipe Perez |
| author_sort | Luchao Jin |
| collection | DOAJ |
| description | We carried out MD simulations to review the mechanisms of clay damage under hydration, the manners clays interact with water and cations, and the structures they form in between aluminosilicate sheets and offered an alternative explanation as to how clay structures become instable after certain water concentration. Water molecules form one, two, and sometimes three layers parallel to the clay surfaces. The cations already present in montmorillonites (the most representative of the smectites) or coming with low salinity water will either be adsorbed by the clay surfaces or become fully hydrated, detached from the surfaces, and located in the midst of the interlayer space between clay surfaces, while water molecules that do not hydrate the cations invade the clay structures, making them unstable. The driving force of this phenomenon happens to be the hydration energy of the cations in question. |
| format | Article |
| id | doaj-art-7a4d60122ebd4b3ca16c1cde65a2dfd5 |
| institution | OA Journals |
| issn | 1468-8115 1468-8123 |
| language | English |
| publishDate | 2017-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Geofluids |
| spelling | doaj-art-7a4d60122ebd4b3ca16c1cde65a2dfd52025-08-20T02:07:37ZengWileyGeofluids1468-81151468-81232017-01-01201710.1155/2017/17470681747068Modeling the Mechanisms of Clay Damage by Molecular Dynamic SimulationLuchao Jin0Ahmad Jamili1Liangliang Huang2Felipe Perez3Mewbourne School of Petroleum and Geological Engineering, The University of Oklahoma, Norman, OK, USAMewbourne School of Petroleum and Geological Engineering, The University of Oklahoma, Norman, OK, USAGallogly College of Engineering, Chemical, Biological and Materials Engineering, The University of Oklahoma, Norman, OK, USAMewbourne School of Petroleum and Geological Engineering, The University of Oklahoma, Norman, OK, USAWe carried out MD simulations to review the mechanisms of clay damage under hydration, the manners clays interact with water and cations, and the structures they form in between aluminosilicate sheets and offered an alternative explanation as to how clay structures become instable after certain water concentration. Water molecules form one, two, and sometimes three layers parallel to the clay surfaces. The cations already present in montmorillonites (the most representative of the smectites) or coming with low salinity water will either be adsorbed by the clay surfaces or become fully hydrated, detached from the surfaces, and located in the midst of the interlayer space between clay surfaces, while water molecules that do not hydrate the cations invade the clay structures, making them unstable. The driving force of this phenomenon happens to be the hydration energy of the cations in question.http://dx.doi.org/10.1155/2017/1747068 |
| spellingShingle | Luchao Jin Ahmad Jamili Liangliang Huang Felipe Perez Modeling the Mechanisms of Clay Damage by Molecular Dynamic Simulation Geofluids |
| title | Modeling the Mechanisms of Clay Damage by Molecular Dynamic Simulation |
| title_full | Modeling the Mechanisms of Clay Damage by Molecular Dynamic Simulation |
| title_fullStr | Modeling the Mechanisms of Clay Damage by Molecular Dynamic Simulation |
| title_full_unstemmed | Modeling the Mechanisms of Clay Damage by Molecular Dynamic Simulation |
| title_short | Modeling the Mechanisms of Clay Damage by Molecular Dynamic Simulation |
| title_sort | modeling the mechanisms of clay damage by molecular dynamic simulation |
| url | http://dx.doi.org/10.1155/2017/1747068 |
| work_keys_str_mv | AT luchaojin modelingthemechanismsofclaydamagebymoleculardynamicsimulation AT ahmadjamili modelingthemechanismsofclaydamagebymoleculardynamicsimulation AT lianglianghuang modelingthemechanismsofclaydamagebymoleculardynamicsimulation AT felipeperez modelingthemechanismsofclaydamagebymoleculardynamicsimulation |