Modeling the Interfacial Tension in Oil-Water-Nonionic Surfactant Mixtures Using Dissipative Particle Dynamics and Self-Consistent Field Theory

被引:70
|
作者
Ginzburg, Valeriy V. [1 ]
Chang, Kwanho [2 ]
Jog, Prasanna K. [1 ]
Argenton, Andre B. [1 ]
Rakesh, Leela [3 ]
机构
[1] Dow Chem Co USA, Res & Dev, Midland, MI 48674 USA
[2] Dow Chem Co USA, Res & Dev, Freeport, TX 77541 USA
[3] Cent Michigan Univ, Dept Math, Ctr Appl Math & Polymer Fluid Dynam, Mt Pleasant, MI 48859 USA
关键词
IMMISCIBLE HOMOPOLYMER BLENDS; DIBLOCK COPOLYMER SURFACTANTS; FREE-ENERGY METHODS; MOLECULAR-DYNAMICS; MICELLE COMPOSITION; BLOCK-COPOLYMERS; FORCE-FIELD; SIMULATION; ADSORPTION; MICELLIZATION;
D O I
10.1021/jp109234u
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We use two mesoscale simulation methods, dissipative particle dynamics (DPD) and self-consistent field theory (SCFT), to model interfacial tension in ternary oil/water/surfactant mixtures. For model systems where the oil is dodecane and the surfactant is a linear alkyl ethoxylate,;the two methods show a good semiquantitative agreement among themselves, and with experimental :data. We further. discuss the advantages and limitations of the two methods and their possible use for surfactant screening in specific industrial applications.
引用
收藏
页码:4654 / 4661
页数:8
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