Triton X-100/甲苯/水三元体系界面张力的耗散颗粒动力学模拟

doi:10.3866/PKU.WHXB20110106

Acta Phys. -Chim. Sin. ›› 2011, Vol. 27 ›› Issue (01): 65-70.doi: 10.3866/PKU.WHXB20110106

• THEORETICAL AND COMPUTATIONAL CHEMISTRY • Previous Articles Next Articles

Dissipative Particle Dynamics Simulation of Interface Tension in the Ternary Triton X-100/Toluene/H₂O System

JING Bo¹, ZHANG Jian¹, Lü Xin¹, ZHU Yue-Jun¹, ZHANG Feng-Jiu², JIANG Wei³, TAN Ye-Bang⁴

1. State Key Laboratory of Offshore Oil Exploitation, China National Offshore Oil Corporation (CNOOC) Research Institute, Beijing 100027, P. R. China;
2. CNOOC Limited, Beijing 100010, P. R. China;
3. CNOOC, Beijing 100010, P. R. China;
4. School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, P. R. China

Received:2010-09-08 Revised:2010-09-28 Published:2010-12-31
Contact: JING Bo E-mail:jingbo@cnooc.com.cn
Supported by:
The project was supported by the National Science and Technology Major Project of China (2008ZX05024) and National High Technology Research and Development Program of China (863) (2007AA090701).

Abstract

Abstract:

The assembly behavior of the nonionic surfactant Triton X-100 at the water/oil interface was studied at the mesoscopic level using a dissipative particle dynamics simulation. We extended the calculation method for interfacial tension from a binary water/oil system to a ternary system with surfactants. In particular, the simulated results of interfacial tension that were chosen for illustration are in excellent agreement with the experimental results. Additionally, we discuss the relationship between interfacial tension and interfacial density, which supports the synergistic theory of mixed surfactants. The microscopic information obtained from the simulated method will opens another door for the selection and application of surfactants in enhanced oil recovery.

Key words: Dissipative particle dynamics, Molecular simulation, Interfacial tension, Surfactant, Interfacial density

JING Bo, ZHANG Jian, Lü Xin, ZHU Yue-Jun, ZHANG Feng-Jiu, JIANG Wei, TAN Ye-Bang. Dissipative Particle Dynamics Simulation of Interface Tension in the Ternary Triton X-100/Toluene/H₂O System[J].Acta Phys. -Chim. Sin., 2011, 27(01): 65-70.

References

1. Li, G. Z.; Zheng, L. Q.; Xu, G. Y. Colloid chemistry in petroleum exploitation. Beijing: Chemical Industry Press, 2008. [李干佐, 郑利强, 徐桂英. 石油开采中的胶体化学. 北京: 化学工业出版社, 2008]
2. Fu, Y. Z.; Liu, Y. Q.; Lan, Y. H. Acta Phys. -Chim. Sin., 2009, 25: 1267. [ 付一政, 刘亚青, 兰艳花. 物理化学学报, 2009, 25: 1267]
3. Wei, K. C.; Lu, D. Y.; Zhou, H.; Xu, W.; Wen, H.; Xu, Z. H. Acta Phys. -Chim. Sin., 2004, 20: 602. [ 魏克成, 陆冬云, 周涵, 徐未, 温浩, 许志宏. 物理化学学报, 2004, 20: 602]
4. Li, Z. Q.; He, X. J.; Li, Y.; Ma, B. M.; Cao, X. L.; Song, X. W.; Cui, X. H. Acta Chim. Sin., 2007, 65: 2803. [李振泉, 何秀娟, 李英, 马保民, 曹绪龙, 宋新旺, 崔晓红. 化学学报, 2007, 65: 2803]
5. Yang, X. Z. Molecular simulation and macromolecular material. Beijing: Science Press, 2002. [杨小震. 分子模拟与高分子材料. 北京: 科学出版社, 2002]
6. Groot, R. D.;Warren, P. B. J. Chem. Phys., 1997, 107: 4423
7. Rekvig, L.; Kranenburg, M.; Hafskjold, B.; Smit, B. Europhys. Lett., 2003, 63: 902
8. Li, Y.; Zhang, P.; Dong, F.; Cao, X.; Song, X.; Cui, X. J. Colloid Interface Sci., 2005, 290: 275
9. Rekvig, L.; Kranenburg, M.; Vreede, J.; Hafskjold, B.; Smit, B. Langmuir, 2003, 19: 8195
10. Dong, F.; Li, Y.; Zhang, P. Chem. Phys. Lett., 2004, 399: 215
11. Maiti, A.; McGrother, S. J. Chem. Phys., 2004, 120: 1594
12. Hromadova, M.; Simister, E. A. J. Phys. Chem., 1994, 98: 11519
13. Case, F.; Honeycutt, J. D. Trends Polym. Sci., 1994, 2: 259
14. Yang, C.; Chen, X.; Qiu, H.; Zhuang,W.; Chai, Y.; Hao, J. J. Phys. Chem. B, 2006, 110: 21735
15. Li, X. F.; Chen, Z. R.; Liu, D. X.; Pan, H. H.; Li, H. R.; Han, S. J. Acta Phys. -Chim. Sin., 2000, 16: 964. [李啸风, 陈志荣, 刘迪霞, 潘海华, 李浩然, 韩世钧. 物理化学学报, 2000, 16: 964]
16. Chen, L.; Hu, Y. D.; Liu, Q. Z. Comp. Appl. Chem., 2008, 25: 697 [陈莉, 胡仰栋, 刘清芝. 计算机与应用化学, 2008, 25: 697]
17. Kang, W. L.; Dong, X. G. Applications of surfactant in oil field. Beijing: Chemical Industry Press, 2005. [康万利, 董喜贵. 表面活性剂在油田中的应用. 北京: 化学工业出版社, 2005]
18. Cao, X. L. Acta Petrolei Sinica, 2008, 24: 682. [曹绪龙. 石油学报, 2008, 24: 682]

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Dissipative Particle Dynamics Simulation of Interface Tension in the Ternary Triton X-100/Toluene/H₂O System

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Dissipative Particle Dynamics Simulation of Interface Tension in the Ternary Triton X-100/Toluene/H₂O System