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
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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

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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