Molecular Dynamics Study of Interfacial Properties for Crude Oil with Pure and Impure CH<sub>4</sub>
Gas injection has received increasing attention as one of the key technologies to enhance oil recovery. When gas is dissolved in crude oil, it will accelerate the flow of crude oil by reducing the density, viscosity, interfacial tension (IFT), and other properties of crude oil, so IFT is one of the...
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-11-01
|
| Series: | Applied Sciences |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2076-3417/12/23/12239 |
| _version_ | 1797463641833865216 |
|---|---|
| author | Zhenzhen Dong Xinle Ma Haobin Xu Weirong Li Shihao Qian Zhengbo Wang Zhaoxia Liu Gang Lei |
| author_facet | Zhenzhen Dong Xinle Ma Haobin Xu Weirong Li Shihao Qian Zhengbo Wang Zhaoxia Liu Gang Lei |
| author_sort | Zhenzhen Dong |
| collection | DOAJ |
| description | Gas injection has received increasing attention as one of the key technologies to enhance oil recovery. When gas is dissolved in crude oil, it will accelerate the flow of crude oil by reducing the density, viscosity, interfacial tension (IFT), and other properties of crude oil, so IFT is one of the main factors affecting the recovery of the gas drive. The interfacial properties of CH<sub>4</sub>, one of the principal associated hydrocarbon gases, with crude oil remain unclear. In this study, molecular dynamics (MD) simulations were used to determine the IFTs of pure and impure CH<sub>4</sub> with n-decane as well as the IFTs of the ternary systems CH<sub>4</sub> + n-hexane + n-decane and CH<sub>4</sub> + n-decane + n-nonadecane. Additionally, investigating factors including pressure, temperature, gas composition, and crude oil composition reveals the mechanisms affecting the interfacial properties of CH<sub>4</sub> and crude oil. The results demonstrate that CO<sub>2</sub> significantly lowers the IFT of CH<sub>4</sub> + n-decane; the effect of crude oil components on IFT varies with the properties of the crude oil and, generally speaking, IFT is greater for crude oils containing heavy components than for those containing light components; the effect of temperature on the IFT of the CH<sub>4</sub> + n-decane system is more pronounced at low pressure and decreases with increasing pressure. This study contributes to understanding the behavior of CH<sub>4</sub> and oil systems in the formation and could be used to enhance the oil recovery technology. |
| first_indexed | 2024-03-09T17:53:39Z |
| format | Article |
| id | doaj.art-c50699bbcc31471eb1d773cbd40cfd57 |
| institution | Directory Open Access Journal |
| issn | 2076-3417 |
| language | English |
| last_indexed | 2024-03-09T17:53:39Z |
| publishDate | 2022-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Applied Sciences |
| spelling | doaj.art-c50699bbcc31471eb1d773cbd40cfd572023-11-24T10:33:16ZengMDPI AGApplied Sciences2076-34172022-11-0112231223910.3390/app122312239Molecular Dynamics Study of Interfacial Properties for Crude Oil with Pure and Impure CH<sub>4</sub>Zhenzhen Dong0Xinle Ma1Haobin Xu2Weirong Li3Shihao Qian4Zhengbo Wang5Zhaoxia Liu6Gang Lei7College of Petroleum Engineering, Xi’an Shiyou University, Xi’an 710065, ChinaCollege of Petroleum Engineering, Xi’an Shiyou University, Xi’an 710065, ChinaCollege of Petroleum Engineering, Xi’an Shiyou University, Xi’an 710065, ChinaCollege of Petroleum Engineering, Xi’an Shiyou University, Xi’an 710065, ChinaCollege of Petroleum Engineering, Xi’an Shiyou University, Xi’an 710065, ChinaResearch Institute of Petroleum Exploration & Development, PetroChina, Beijing 100083, ChinaResearch Institute of Petroleum Exploration & Development, PetroChina, Beijing 100083, ChinaCollege of Engineering, China University of Geoscience, Wuhan 430074, ChinaGas injection has received increasing attention as one of the key technologies to enhance oil recovery. When gas is dissolved in crude oil, it will accelerate the flow of crude oil by reducing the density, viscosity, interfacial tension (IFT), and other properties of crude oil, so IFT is one of the main factors affecting the recovery of the gas drive. The interfacial properties of CH<sub>4</sub>, one of the principal associated hydrocarbon gases, with crude oil remain unclear. In this study, molecular dynamics (MD) simulations were used to determine the IFTs of pure and impure CH<sub>4</sub> with n-decane as well as the IFTs of the ternary systems CH<sub>4</sub> + n-hexane + n-decane and CH<sub>4</sub> + n-decane + n-nonadecane. Additionally, investigating factors including pressure, temperature, gas composition, and crude oil composition reveals the mechanisms affecting the interfacial properties of CH<sub>4</sub> and crude oil. The results demonstrate that CO<sub>2</sub> significantly lowers the IFT of CH<sub>4</sub> + n-decane; the effect of crude oil components on IFT varies with the properties of the crude oil and, generally speaking, IFT is greater for crude oils containing heavy components than for those containing light components; the effect of temperature on the IFT of the CH<sub>4</sub> + n-decane system is more pronounced at low pressure and decreases with increasing pressure. This study contributes to understanding the behavior of CH<sub>4</sub> and oil systems in the formation and could be used to enhance the oil recovery technology.https://www.mdpi.com/2076-3417/12/23/12239molecular dynamics simulationinterfacial propertiessensitivity analysisdensity profilesdiffusion properties |
| spellingShingle | Zhenzhen Dong Xinle Ma Haobin Xu Weirong Li Shihao Qian Zhengbo Wang Zhaoxia Liu Gang Lei Molecular Dynamics Study of Interfacial Properties for Crude Oil with Pure and Impure CH<sub>4</sub> Applied Sciences molecular dynamics simulation interfacial properties sensitivity analysis density profiles diffusion properties |
| title | Molecular Dynamics Study of Interfacial Properties for Crude Oil with Pure and Impure CH<sub>4</sub> |
| title_full | Molecular Dynamics Study of Interfacial Properties for Crude Oil with Pure and Impure CH<sub>4</sub> |
| title_fullStr | Molecular Dynamics Study of Interfacial Properties for Crude Oil with Pure and Impure CH<sub>4</sub> |
| title_full_unstemmed | Molecular Dynamics Study of Interfacial Properties for Crude Oil with Pure and Impure CH<sub>4</sub> |
| title_short | Molecular Dynamics Study of Interfacial Properties for Crude Oil with Pure and Impure CH<sub>4</sub> |
| title_sort | molecular dynamics study of interfacial properties for crude oil with pure and impure ch sub 4 sub |
| topic | molecular dynamics simulation interfacial properties sensitivity analysis density profiles diffusion properties |
| url | https://www.mdpi.com/2076-3417/12/23/12239 |
| work_keys_str_mv | AT zhenzhendong moleculardynamicsstudyofinterfacialpropertiesforcrudeoilwithpureandimpurechsub4sub AT xinlema moleculardynamicsstudyofinterfacialpropertiesforcrudeoilwithpureandimpurechsub4sub AT haobinxu moleculardynamicsstudyofinterfacialpropertiesforcrudeoilwithpureandimpurechsub4sub AT weirongli moleculardynamicsstudyofinterfacialpropertiesforcrudeoilwithpureandimpurechsub4sub AT shihaoqian moleculardynamicsstudyofinterfacialpropertiesforcrudeoilwithpureandimpurechsub4sub AT zhengbowang moleculardynamicsstudyofinterfacialpropertiesforcrudeoilwithpureandimpurechsub4sub AT zhaoxialiu moleculardynamicsstudyofinterfacialpropertiesforcrudeoilwithpureandimpurechsub4sub AT ganglei moleculardynamicsstudyofinterfacialpropertiesforcrudeoilwithpureandimpurechsub4sub |