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J Phys Chem B ; 115(16): 4654-61, 2011 Apr 28.
Article in English | MEDLINE | ID: mdl-21473601

ABSTRACT

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.


Subject(s)
Models, Chemical , Oils/chemistry , Surface-Active Agents/chemistry , Water/chemistry , Algorithms , Surface Tension , Thermodynamics
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