Citation: 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 Physico-Chimica Sinica doi: 10.3866/PKU.WHXB20110106 shu

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

JING Bo ^1, ,
ZHANG Jian ¹ ,
Lü Xin ¹ ,
ZHU Yue-Jun ¹ ,
ZHANG Feng-Jiu ² ,
JIANG Wei ³ ,
TAN Ye-Bang ⁴

1.
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 Date: 8 September 2010
Available Online: 19 November 2010
Fund Project: 国家科技重大专项(2008ZX05024) (2008ZX05024)国家高技术研究发展计划(863) (2007AA090701)资助项目 (863) (2007AA090701)

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.
- Dissipative particle dynamics,
- Molecular simulation,
- Interfacial tension,
- Surfactant,
- Interfacial density
1. [1]
  
  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. [2]
  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. [3]
  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. [4]
  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. [5]
  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. [6]
  6. Groot, R. D.;Warren, P. B. J. Chem. Phys., 1997, 107: 4423
7. [7]
  7. Rekvig, L.; Kranenburg, M.; Hafskjold, B.; Smit, B. Europhys. Lett., 2003, 63: 902
8. [8]
  8. Li, Y.; Zhang, P.; Dong, F.; Cao, X.; Song, X.; Cui, X. J. Colloid Interface Sci., 2005, 290: 275
9. [9]
  9. Rekvig, L.; Kranenburg, M.; Vreede, J.; Hafskjold, B.; Smit, B. Langmuir, 2003, 19: 8195
10. [10]
  10. Dong, F.; Li, Y.; Zhang, P. Chem. Phys. Lett., 2004, 399: 215
11. [11]
  11. Maiti, A.; McGrother, S. J. Chem. Phys., 2004, 120: 1594
12. [12]
  12. Hromadova, M.; Simister, E. A. J. Phys. Chem., 1994, 98: 11519
13. [13]
  13. Case, F.; Honeycutt, J. D. Trends Polym. Sci., 1994, 2: 259
14. [14]
  14. Yang, C.; Chen, X.; Qiu, H.; Zhuang,W.; Chai, Y.; Hao, J. J. Phys. Chem. B, 2006, 110: 21735
15. [15]
  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. [16]
  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. [17]
  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. [18]
  18. Cao, X. L. Acta Petrolei Sinica, 2008, 24: 682. [曹绪龙. 石油学报, 2008, 24: 682]
1. [1]
  Congying Lu , Fei Zhong , Zhenyu Yuan , Shuaibing Li , Jiayao Li , Jiewen Liu , Xianyang Hu , Liqun Sun , Rui Li , Meijuan Hu . Experimental Improvement of Surfactant Interface Chemistry: An Integrated Design for the Fusion of Experiment and Simulation. University Chemistry, doi: 10.3866/PKU.DXHX202308097
2. [2]
  Yukai Jiang , Yihan Wang , Yunkai Zhang , Yunping Wei , Ying Ma , Na Du . Characterization and Phase Diagram of Surfactant Lyotropic Liquid Crystal. University Chemistry, doi: 10.3866/PKU.DXHX202309033
3. [3]
  Yongmin Zhang , Shuang Guo , Mingyue Zhu , Menghui Liu , Sinong Li . Design and Improvement of Physicochemical Experiments Based on Problem-Oriented Learning: a Case Study of Liquid Surface Tension Measurement. University Chemistry, doi: 10.3866/PKU.DXHX202307026
4. [4]
  Feng Zheng , Ruxun Yuan , Xiaogang Wang . “Research-Oriented” Comprehensive Experimental Design in Polymer Chemistry: the Case of Polyimide Aerogels. University Chemistry, doi: 10.12461/PKU.DXHX202404027
5. [5]
  Meifeng Zhu , Jin Cheng , Kai Huang , Cheng Lian , Shouhong Xu , Honglai Liu . Classical Density Functional Theory for Understanding Electrochemical Interface. University Chemistry, doi: 10.12461/PKU.DXHX202405166
6. [6]
  Shule Liu . Application of SPC/E Water Model in Molecular Dynamics Teaching Experiments. University Chemistry, doi: 10.3866/PKU.DXHX202310029
7. [7]
  Xinlong WANG , Zhenguo CHENG , Guo WANG , Xiaokuen ZHANG , Yong XIANG , Xinquan WANG . Enhancement of the fragile interface of high voltage LiCoO₂ by surface gradient permeation of trace amounts of Mg/F. Chinese Journal of Inorganic Chemistry, doi: 10.11862/CJIC.20230259
8. [8]
  Shanghua Li , Malin Li , Xiwen Chi , Xin Yin , Zhaodi Luo , Jihong Yu . 基于高离子迁移动力学的取向ZnQ分子筛保护层实现高稳定水系锌金属负极的构筑. Acta Physico-Chimica Sinica, doi: 10.3866/PKU.WHXB202309003
9. [9]
  Yaping Li , Sai An , Aiqing Cao , Shilong Li , Ming Lei . The Application of Molecular Simulation Software in Structural Chemistry Education: First-Principles Calculation of NiFe Layered Double Hydroxide. University Chemistry, doi: 10.12461/PKU.DXHX202405185
10. [10]
  Yanhui Sun , Junmin Nan , Guozheng Ma , Xiaoxi Zuo , Guoliang Li , Xiaoming Lin . Exploration and Teaching Practice of Ideological and Political Elements in Interface Physical Chemistry: Taking “Additional Pressure on Curved Surfaces” as an Teaching Example. University Chemistry, doi: 10.3866/PKU.DXHX202402023
11. [11]
  Aoyu Huang , Jun Xu , Yu Huang , Gui Chu , Mao Wang , Lili Wang , Yongqi Sun , Zhen Jiang , Xiaobo Zhu . Tailoring Electrode-Electrolyte Interfaces via a Simple Slurry Additive for Stable High-Voltage Lithium-Ion Batteries. Acta Physico-Chimica Sinica, doi: 10.3866/PKU.WHXB202408007
12. [12]
  Chunai Dai , Yongsheng Han , Luting Yan , Zhen Li , Yingze Cao . Ideological and Political Design of Solid-liquid Contact Angle Measurement Experiment. University Chemistry, doi: 10.3866/PKU.DXHX202306065
13. [13]
  Jiayu Tang , Jichuan Pang , Shaohua Xiao , Xinhua Xu , Meifen Wu . Improvement for Measuring Transference Numbers of Ions by Moving-Boundary Method. University Chemistry, doi: 10.3866/PKU.DXHX202311021
14. [14]
  Jiandong Liu , Zhijia Zhang , Mikhail Kamenskii , Filipp Volkov , Svetlana Eliseeva , Jianmin Ma . Research Progress on Cathode Electrolyte Interphase in High-Voltage Lithium Batteries. Acta Physico-Chimica Sinica, doi: 10.3866/PKU.WHXB202308048
15. [15]
  Yaling Chen . Basic Theory and Competitive Exam Analysis of Dynamic Isotope Effect. University Chemistry, doi: 10.3866/PKU.DXHX202311093
16. [16]
  Ruilin Han , Xiaoqi Yan . Comparison of Multiple Function Methods for Fitting Surface Tension and Concentration Curves. University Chemistry, doi: 10.3866/PKU.DXHX202311023
17. [17]
  Xuan Zhou , Yi Fan , Zhuoqi Jiang , Zhipeng Li , Guowen Yuan , Laiying Zhang , Xu Hou . Liquid Gating Mechanism and Basic Properties Characterization: a New Experimental Design for Interface and Surface Properties in the Chemistry “101 Plan”. University Chemistry, doi: 10.12461/PKU.DXHX202407111
18. [18]
  Pengyu Dong , Yue Jiang , Zhengchi Yang , Licheng Liu , Gu Li , Xinyang Wen , Zhen Wang , Xinbo Shi , Guofu Zhou , Jun-Ming Liu , Jinwei Gao . NbSe₂纳米片优化钙钛矿太阳能电池的埋底界面. Acta Physico-Chimica Sinica, doi: 10.3866/PKU.WHXB202407025
19. [19]
  Chongjing Liu , Yujian Xia , Pengjun Zhang , Shiqiang Wei , Dengfeng Cao , Beibei Sheng , Yongheng Chu , Shuangming Chen , Li Song , Xiaosong Liu . Understanding Solid-Gas and Solid-Liquid Interfaces through Near Ambient Pressure X-Ray Photoelectron Spectroscopy. Acta Physico-Chimica Sinica, doi: 10.3866/PKU.WHXB202309036
20. [20]
  Xiaotian ZHU , Fangding HUANG , Wenchang ZHU , Jianqing ZHAO . Layered oxide cathode for sodium-ion batteries: Surface and interface modification and suppressed gas generation effect. Chinese Journal of Inorganic Chemistry, doi: 10.11862/CJIC.20240260

Get Citation

PDF

XML

Metrics

PDF Downloads(1599)
Abstract views(3078)
HTML views(51)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

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

Metrics

通讯作者: 陈斌, bchen63@163.com

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