Modeling the Mechanisms of Clay Damage by Molecular Dynamic Simulation
| Autor: | Ahmad Jamili, Liangliang Huang, Felipe Perez, Luchao Jin |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
inorganic chemicals
Low salinity Article Subject Chemistry lcsh:QE1-996.5 Mineralogy 02 engineering and technology Water concentration 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences complex mixtures 0104 chemical sciences lcsh:Geology Molecular dynamics Adsorption Chemical engineering Aluminosilicate General Earth and Planetary Sciences Clay mineral X-ray diffraction 0210 nano-technology Hydrate Hydration energy |
| Zdroj: | Geofluids, Vol 2017 (2017) |
| ISSN: | 1468-8115 |
| DOI: | 10.1155/2017/1747068 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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