| Nanostructured Clay Swelling Study in Oil Drilling Wells |
| Paper ID : 2553-UFGNSM13-FULL |
| Authors: |
|
Arash Khosravi1, Hassanali Allahyari *2 171, 22 Bldg, Kooy-e-daneshgah, N Kargar, Tehran 2تهران-بلوار ابوذر شمالی-نبش کوچه هشتم غربی- پلاک183-واحد2 |
| Abstract: |
| Monte Carlo molecular simulations in NP_zz T and μVT ensembles is employed to simulate the swelling of Na-Montmorillonite in sedimentary basin conditions of 483 K at 1050 atm by using the CLAYFF force field. Consistent with reported works in literature, a one-layer stable hydrate with the stable basal spacing of 12.44 Å is predicted, while the adsorbed water molecules and total energy is 41.92 water molecules per unit cell and 3.65 kcal/mol. |
| Keywords: |
| Na-Montmorillonite; Monte Carlo simulation; Basin condition; CLAYFF force field; Grand canonical ensemble |
| Status : Paper Accepted (Poster Presentation) |
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