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

被引：71

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

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2011年 / 115卷 / 16期

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

页码：4654 / 4661

页数：8