Citation: Hongwei Yu, Shi Li, Jinlong Li, Shaohua Zhu, Chengzhen Sun. Interfacial Mass Transfer Characteristics and Molecular Mechanism of the Gas-Oil Miscibility Process in Gas Flooding[J]. Acta Physico-Chimica Sinica, ;2022, 38(5): 200606. doi: 10.3866/PKU.WHXB202006061 shu

Interfacial Mass Transfer Characteristics and Molecular Mechanism of the Gas-Oil Miscibility Process in Gas Flooding

1.
State Key Laboratory of Enhanced Oil Recovery, PetroChina Research Institute of Petroleum Exploration and Development, Beijing 100083, China
2.
PetroChina Jilin Oilfield Company, Songyuan 138099, Jilin Province, China
3.
State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaotong University, Xi'an 710049, China

Corresponding author: Chengzhen Sun, sun-cz@xjtu.edu.cn
Received Date: 23 June 2020
Revised Date: 28 July 2020
Accepted Date: 29 July 2020
Available Online: 3 August 2020
Fund Project: the Scientific Research and Technology Development Project of PetroChina 2019B-1111the Major Science and Technology Projects of PetroChina 2018E-1805the National Natural Science Foundation of China 51876169

The interfacial mass transfer characteristics of the gas-oil miscibility process are important in gas flooding technology to improve oil recovery. In this study, the process of gas flooding with actual components of Jilin oilfield is investigated by using molecular dynamics simulation method. We have chosen several alkane molecules based specifically on the actual components of crucial oil as the model oil phase for our study. The pressure of the gas phase is adjusted by changing the number of gas molecules while keeping the oil phase constant in the simulation. After the simulation, we analyze the variations of density in the gas-oil phase and interfacial characteristics to obtain the minimum miscibility pressure (MMP) for different displacement gases. The results show that the density of the gas phase increases while the density of the oil phase decreases with an increase in the displacement gas pressure, resulting in efficient mixing between the gas phase and the oil phase. At higher gas pressures, the thickness of the interface between the gas and oil phases is higher while the interfacial tension is lower. At the same time, we observed that the higher the CO₂ content in the displacement phase, the thicker the oil-gas interface becomes and the better the oil-gas mixing is under the same gas pressure. In this work, the gas-oil miscibility is studied with pure CO₂, pure N₂, and the mixture of these two gases, and it is found that the minimum miscibility pressure for pure CO₂ flooding (22.3 MPa) is much lower than that for pure N₂ flooding (119.0 MPa). When these two gases are mixed in 1 : 1 ratio, the MMP (50.7 MPa) is between the MMPs of the two pure gases. Moreover, the pressure required with CO₂ is lower than that required with N₂ to achieve the same displacement effect. Finally, we explain the mechanisms of the different miscibility processes for different gas pressure and different displacement gases from the perspective of the total energy of the system and the potential of the mean force between the gas and the oil. The total energy of the system increases with the pressure of the gas phase, implying that the number of collisions between the oil and gas molecules increases and the gas-oil miscibility is enhanced. In addition, by analyzing the potential of mean force profiles, it can be concluded that the force of attraction between the oil-phase molecules and CO₂ molecules is greater than that between the oil-phase molecules and N₂ molecules; thus, the CO₂ molecules easily mix with oil, and the effect of displacement is more obvious. These results are of great significance for understanding the interfacial mass transfer characteristics of the gas-oil miscibility process and for guiding the optimization and design of enhanced oil recovery technology by gas flooding.
- Gas-flooding,
- Oil recovery,
- Gas-oil miscibility,
- Interfacial mass transfer,
- Minimum miscibility pressure,
- Molecular dynamics,
- Microscopic mechanism
1. [1]
  Berg, S.; Ott, H.; Klapp, S. A.; Schwing, A.; Neiteler, R.; Brussee, N.; Makurat, A.; Leu, L.; Enzmann, F.; Schwarz, J. O.; et al. Proc. Natl. Acad. Sci. USA 2013, 110, 3755. doi: 10.1073/pnas.1221373110 doi: 10.1073/pnas.1221373110
2. [2]
  Mugele, F.; Bera, B.; Cavalli, A.; Siretanu, I.; Maestro, A.; Duits, M.; Cohen-Stuart, M.; van den Ende, D.; Stocker, I.; Collins, I. Sci. Rep. 2015, 5, 10519. doi: 10.1038/srep10519 doi: 10.1038/srep10519
3. [3]
  Hammond, P. S.; Unsal, E. Langmuir 2011, 27, 4412. doi: 10.1021/la1048503 doi: 10.1021/la1048503
4. [4]
  Wang, X. Z.; Kang, W. L.; Meng, X. C.; Fan, H. M., Xu, H.; Huang, J. W.; Fu, J. B.; Zhang, Y. N. Acta Phys. -Chim. Sin. 2012, 28, 2285. doi: 10.3866/PKU.WHXB201206291
5. [5]
  Murison, J.; Semin, B.; Baret, J. -C.; Herminghaus, S.; Schröter, M.; Brinkmann, M. Phys. Rev. Appl. 2014, 2, 034002. doi: 10.1103/PhysRevApplied.2.034002 doi: 10.1103/PhysRevApplied.2.034002
6. [6]
  Cao, X.; Peng, B.; Ma, S.; Ni, H.; Zhang, L.; Zhang, W.; Li, M.; Hsu, C. S.; Shi, Q. Energy Fuels 2017, 31, 4996. doi: 10.1021/acs.energyfuels.7b00415 doi: 10.1021/acs.energyfuels.7b00415
7. [7]
  Farajzadeh, R.; Andrianov, A.; Zitha, P. L. J. Ind. Eng. Chem. Res. 2010, 49, 1910. doi: 10.1021/ie901109d doi: 10.1021/ie901109d
8. [8]
  de Lara, L. S.; Michelon, M. F.; Miranda, C. R. J. Phys. Chem. B 2012, 116, 14667. doi: 10.1021/jp310172j doi: 10.1021/jp310172j
9. [9]
  Dai, Z.; Middleton, R.; Viswanathan, H.; Fessenden-Rahn, J.; Bauman, J.; Pawar, R.; Lee, S. Y.; McPherson, B. Environ. Sci. Technol. Lett. 2013, 1, 49. doi: 10.1021/ez4001033 doi: 10.1021/ez4001033
10. [10]
  Mahdavi, E.; Zebarjad, F. S.; Taghikhani, V.; Ayatollahi, S. J. Chem. Eng. Data 2014, 59, 2563. doi:10.1021/je500369e doi: 10.1021/je500369e
11. [11]
  Mutailipu, M.; Liu, Y.; Jiang, L.; Zhang, Y. J. Colloid Interface Sci. 2019, 534, 605. doi: 10.1016/j.jcis.2018.09.031 doi: 10.1016/j.jcis.2018.09.031
12. [12]
  Li, X.; Ross, D. A.; Trusler, J. P.; Maitland, G. C.; Boek, E. S. J. Phys. Chem. B 2013, 117, 5647. doi: 10.1021/jp309730m doi: 10.1021/jp309730m
13. [13]
  Wang, G. F.; Yao, J.; Wang, H.; Yu, G. M.; Luo, W. L. Res. Eval. Develop. 2019, 9, 14. doi: 10.13809/j.cnki.cn32-1825/te.2019.03.003 doi: 10.13809/j.cnki.cn32-1825/te.2019.03.003
14. [14]
  Zhang, N.; Yin, M.; Wei, M.; Bai, B. Fuel 2019, 241, 459. doi: 10.1016/j.fuel.2018.12.072 doi: 10.1016/j.fuel.2018.12.072
15. [15]
  Yao, J.; Sun, H.; Li, A.; Yang, Y.; Huang, Z.; Wang, Y.; Zhang, L.; Kou, J.; Xie, H.; Zhao, J.; et al. Chin. Sci. Bull. 2018, 63, 425. doi: 10.1360/n972017-00161 doi: 10.1360/n972017-00161
16. [16]
  Cao, M.; Gu, Y. Fluid Phase Equilib. 2013, 356, 78. doi: 10.1016/j.fluid.2013.07.006 doi: 10.1016/j.fluid.2013.07.006
17. [17]
  Zolghadr, A.; Escrochi, M.; Ayatollahi, S. J. Chem. Eng. Data 2013, 58, 1168. doi: 10.1021/je301283e doi: 10.1021/je301283e
18. [18]
  Bessie`res, D.; Saint-Guirons, H.; Daridon, J. L. J. Chem. Eng. Data 2001, 46, 1136. doi: 10.1021/je010016k doi: 10.1021/je010016k
19. [19]
  Zhao, L.; Tao, L.; Lin, S. Ind. Eng. Chem. Res. 2015, 54, 2489. doi:10.1021/ie505048c doi: 10.1021/ie505048c
20. [20]
  Sun, C.; Zhou, R.; Zhao, Z.; Bai, B. J. Phys. Chem. Lett. 2020, 11, 4678. doi: 10.1021/acs.jpclett.0c00591 doi: 10.1021/acs.jpclett.0c00591
21. [21]
  Zhao, Z.; Sun, C.; Zhou, R. Int. J. Heat Mass Transfer 2020, 152, 119502. doi: 10.1016/j.ijheatmasstransfer.2020.119502 doi: 10.1016/j.ijheatmasstransfer.2020.119502
22. [22]
  Zhang, J.; Pan, Z.; Liu, K.; Burke, N. Energy Fuels 2013, 27, 2741. doi: 10.1021/ef400283n doi: 10.1021/ef400283n
23. [23]
  Yang, Z.; Li, M.; Peng, B.; Lin, M.; Dong, Z. J. Chem. Eng. Data 2012, 57, 882. doi: 10.1021/je201114g doi: 10.1021/je201114g
24. [24]
  Mohammed, S.; Mansoori, G. A. Energy Fuels 2018, 32, 5409. doi: 10.1021/acs.energyfuels.8b00488 doi: 10.1021/acs.energyfuels.8b00488
25. [25]
  Kiran, E.; Po1hler, H.; Xiong, Y. J. Chem. Eng. Data 1996, 41, 158. doi: 10.1021/je9501503 doi: 10.1021/je9501503
26. [26]
  Ayirala, S. C.; Rao, D. N. J. Can. Pet. Technol. 2011, 50, 71. doi: 10.2118/99606-PA doi: 10.2118/99606-PA
27. [27]
  Rao, D. N.; Lee, J. I. J. Pet. Sci. Eng. 2002, 35, 247. doi: 10.1016/S0920-4105(02)00246-2 doi: 10.1016/S0920-4105(02)00246-2
28. [28]
  Sun, C.; Zhu, S.; Liu, M.; Shen, S.; Bai, B. J. Phys. Chem. Lett. 2019, 10, 7188. doi: 10.1021/acs.jpclett.9b02715 doi: 10.1021/acs.jpclett.9b02715
29. [29]
  Peng, F.; Wang, R.; Guo, Z.; Feng, G. J. Phys. Commun. 2018, 2, 25. doi: 10.1088/2399-6528/aaf090 doi: 10.1088/2399-6528/aaf090
30. [30]
  Frenkel, D.; Smit, B. Understanding Molecular Simulations: From Algorithms to Applications, 2nd ed.; Academic Press: San Diego, CA, USA, 2002.
31. [31]
  Wen, B.; Sun, C.; Bai, B.; Gatapova, E. Y.; Kabov, O. A. Phys. Chem. Chem. Phys. 2017, 19, 14606. doi: 10.1039/c7cp01826f doi: 10.1039/c7cp01826f
32. [32]
  Orr, F. M.; Jessen, K. Fluid Phase Equilib. 2007, 255, 99. doi: 10.1016/j.fluid.2007.04.002 doi: 10.1016/j.fluid.2007.04.002
33. [33]
  Nobakht, M.; Moghadam, S.; Gu, Y. Ind. Eng. Chem. Res. 2008, 47, 8918. doi: 10.1021/ie800358g doi: 10.1021/ie800358g
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