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
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
相关论文
共 52 条
[1]   Simulation of End-Coupling Reactions at a Polymer-Polymer Interface: The Mechanism of Interfacial Roughness Development [J].
Berezkin, Anatoly V. ;
Kudryavtsev, Yaroslav V. .
MACROMOLECULES, 2011, 44 (01) :112-121
[2]   Adsorption of gases in multimolecular layers [J].
Brunauer, S ;
Emmett, PH ;
Teller, E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1938, 60 :309-319
[3]   Diblock copolymer surfactants in immiscible homopolymer blends: Swollen micelles and interfacial tension [J].
Chang, Kwanho ;
Morse, David C. .
MACROMOLECULES, 2006, 39 (22) :7746-7756
[4]   Diblock copolymer surfactants in immiscible homopolymer blends: Interfacial bending elasticity [J].
Chang, Kwanho ;
Morse, David C. .
MACROMOLECULES, 2006, 39 (21) :7397-7406
[5]   Modeling reactive compatibilization of a binary blend with interacting particles [J].
Cheng, MHY ;
Balazs, AC ;
Yeung, C ;
Ginzburg, VV .
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (19) :9044-9052
[6]   STATISTICAL-MECHANICS OF DISSIPATIVE PARTICLE DYNAMICS [J].
ESPANOL, P ;
WARREN, P .
EUROPHYSICS LETTERS, 1995, 30 (04) :191-196
[7]  
Fleer G.J., 1998, Polymers at Interfaces
[8]   Thermodynamics of high polymer solutions [J].
Flory, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1941, 9 (08) :660-661
[9]  
Fredrickson G. H., 2006, International Series of Monographs on Physics, V134
[10]   Time-dependent reactive coupling at polymer-polymer interfaces [J].
Fredrickson, GH ;
Milner, ST .
MACROMOLECULES, 1996, 29 (23) :7386-7390