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Molecular Modeling of CO2 and n-Octane in Solubility Process and α-Quartz Nanoslit
| Content Provider | MDPI |
|---|---|
| Author | Pu, Jun Qin, Xuejie Gou, Feifei Fang, Wenchao Peng, Fengjie Wang, Runxi Guo, Zhaoli |
| Copyright Year | 2018 |
| Description | After primary and secondary oil recovery, $CO_{2}$-enhanced oil recovery (EOR) has become one of the most mentioned technologies in tertiary oil recovery. Since the oil is confined in an unconventional reservoir, the interfacial properties of $CO_{2}$ and oil are different from in conventional reservoirs, and play a key role in $CO_{2}$ EOR. In this study, molecular dynamics simulations are performed to investigate the interfacial properties, such as interfacial tension, minimum miscibility pressure (MMP), and $CO_{2}$ solubility. The vanishing interfacial tension method is used to get the MMP (~10.8 MPa at 343.15 K) which is in agreement with the reported experimental data, quantitatively. Meanwhile, the diffusion coefficients of $CO_{2}$ and n-octane under different pressures are calculated to show that the diffusion is mainly improved at the interface. Furthermore, the displacement efficiency and molecular orientation in α-quartz nanoslit under different $CO_{2}$ injection ratios have been evaluated. After $CO_{2}$ injection, the adsorbed n-octane molecules are found to be displaced from surface by the injected $CO_{2}$ and, then, the orientation of n-octane becomes more random, which indicates that and $CO_{2}$ can enhance the oil recovery and weaken the interaction between n-octane and α-quartz surface. The injection ratio of $CO_{2}$ to n-octane is around 3:1, which could achieve the optimal displacement efficiency. |
| Starting Page | 3045 |
| e-ISSN | 19961073 |
| DOI | 10.3390/en11113045 |
| Journal | Energies |
| Issue Number | 11 |
| Volume Number | 11 |
| Language | English |
| Publisher | MDPI |
| Publisher Date | 2018-11-06 |
| Access Restriction | Open |
| Subject Keyword | Energies Petroleum Engineering Co2-enhanced Oil Recovery N-octane Α-quartz Pore Minimum Miscibility Pressure Molecular Dynamics Simulation |
| Content Type | Text |
| Resource Type | Article |
