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]
  Shule Liu . Application of SPC/E Water Model in Molecular Dynamics Teaching Experiments. University Chemistry, doi: 10.3866/PKU.DXHX202310029
6. [6]
  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
7. [7]
  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
8. [8]
  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
9. [9]
  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
10. [10]
  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
11. [11]
  Yaling Chen . Basic Theory and Competitive Exam Analysis of Dynamic Isotope Effect. University Chemistry, doi: 10.3866/PKU.DXHX202311093
12. [12]
  Ruilin Han , Xiaoqi Yan . Comparison of Multiple Function Methods for Fitting Surface Tension and Concentration Curves. University Chemistry, doi: 10.3866/PKU.DXHX202311023
13. [13]
  Zeyuan WANG , Songzhi ZHENG , Hao LI , Jingbo WENG , Wei WANG , Yang WANG , Weihai SUN . Effect of I₂ interface modification engineering on the performance of all-inorganic CsPbBr₃ perovskite solar cells. Chinese Journal of Inorganic Chemistry, doi: 10.11862/CJIC.20240021
14. [14]
  Jizhou Liu , Chenbin Ai , Chenrui Hu , Bei Cheng , Jianjun Zhang . 六氯锡酸铵促进钙钛矿太阳能电池界面电子转移及其飞秒瞬态吸收光谱研究. Acta Physico-Chimica Sinica, doi: 10.3866/PKU.WHXB202402006
15. [15]
  Jinfu Ma , Hui Lu , Jiandong Wu , Zhongli Zou . Teaching Design of Electrochemical Principles Course Based on “Cognitive Laws”: Kinetics of Electron Transfer Steps. University Chemistry, doi: 10.3866/PKU.DXHX202309052
16. [16]
  Yeyun Zhang , Ling Fan , Yanmei Wang , Zhenfeng Shang . Development and Application of Kinetic Reaction Flasks in Physical Chemistry Experimental Teaching. University Chemistry, doi: 10.3866/PKU.DXHX202308044
17. [17]
  Xuzhen Wang , Xinkui Wang , Dongxu Tian , Wei Liu . Enhancing the Comprehensive Quality and Innovation Abilities of Graduate Students through a “Student-Centered, Dual Integration and Dual Drive” Teaching Model: A Case Study in the Course of Chemical Reaction Kinetics. University Chemistry, doi: 10.3866/PKU.DXHX202401074
18. [18]
  Dexin Tan , Limin Liang , Baoyi Lv , Huiwen Guan , Haicheng Chen , Yanli Wang . Exploring Reverse Teaching Practices in Physical Chemistry Experiment Courses: A Case Study on Chemical Reaction Kinetics. University Chemistry, doi: 10.12461/PKU.DXHX202403048
19. [19]
  Jiaxing Cai , Wendi Xu , Haoqiang Chi , Qian Liu , Wa Gao , Li Shi , Jingxiang Low , Zhigang Zou , Yong Zhou . 具有0D/2D界面的InOOH/ZnIn₂S₄空心球S型异质结用于增强光催化CO₂转化性能. Acta Physico-Chimica Sinica, doi: 10.3866/PKU.WHXB202407002
20. [20]
  Honglian Liang , Xiaozhe Kuang , Fuping Wang , Yu Chen . Exploration and Practice of Integrating Ideological and Political Education into Physical Chemistry: a Case on Surface Tension and Gibbs Free Energy. University Chemistry, doi: 10.12461/PKU.DXHX202405073

Get Citation

PDF

XML

Metrics

PDF Downloads(1599)
Abstract views(3036)
HTML views(50)

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