Research and Development, The Dow Chemical Company, Midland, Michigan 48674, United States.
J Phys Chem B. 2011 Apr 28;115(16):4654-61. doi: 10.1021/jp109234u. Epub 2011 Apr 7.
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.
我们使用两种介观模拟方法，耗散粒子动力学（DPD）和自洽场理论（SCFT），来模拟三元油/水/表面活性剂混合物的界面张力。对于油为十二烷且表面活性剂为直链脂肪醇乙氧基化物的模型体系，这两种方法在彼此之间以及与实验数据之间具有良好的半定量一致性。我们进一步讨论了这两种方法的优缺点及其在特定工业应用中的表面活性剂筛选中的可能用途。
