Guzmán Eduardo, Fernández-Peña Laura, S Luengo Gustavo, Rubio Ana María, Rey Antonio, Léonforte Fabien
Departamento de Química Física, Universidad Complutense de Madrid, 28040 Madrid, Spain.
Instituto Pluridisciplinar, Universidad Complutense de Madrid, 28040 Madrid, Spain.
Polymers (Basel). 2020 Mar 9;12(3):624. doi: 10.3390/polym12030624.
Self-Consistent Mean-Field Calculations (SCF) have provided a semi-quantitative description of the physico-chemical behavior of six different polyelectrolyte-surfactant mixtures. The SCF calculations performed showed that both the formation of polymer-surfactant in bulk and the adsorption of the formed complexes onto negatively-charged surfaces are strongly affected by the specific nature of the considered systems, with the polymer-surfactant interactions playing a central role in the self-assembly of the complexes that, in turn, affects their adsorption onto interfaces and surfaces. This work evidences that SCF calculations are a valuable tool for deepening on the understanding of the complex physico-chemical behavior of polyelectrolyte-surfactant mixtures. However, it is worth noting that the framework obtained on the basis of an SCF approach considered an equilibrium situation which may, in some cases, be far from the real situation appearing in polyelectrolyte-surfactant systems.
自洽平均场计算（SCF）对六种不同的聚电解质-表面活性剂混合物的物理化学行为进行了半定量描述。所进行的SCF计算表明，本体中聚合物-表面活性剂的形成以及所形成的复合物在带负电表面上的吸附都受到所考虑体系特定性质的强烈影响，聚合物-表面活性剂相互作用在复合物的自组装中起核心作用，而这反过来又影响它们在界面和表面上的吸附。这项工作证明，SCF计算是加深对聚电解质-表面活性剂混合物复杂物理化学行为理解的有价值工具。然而，值得注意的是，基于SCF方法获得的框架考虑的是一种平衡情况，在某些情况下，这可能与聚电解质-表面活性剂体系中出现的实际情况相差甚远。
