Tecnológico Nacional de México, Tecnológico de Estudios Superiores de Ecatepec, División de Ingeniería Química y Bioquímica, Estado de México, Mexico.
PLoS One. 2024 Feb 2;19(2):e0294913. doi: 10.1371/journal.pone.0294913. eCollection 2024.
A study of the self-assembly process into reverse micelles (RMs) of linear surfactants and monomeric aqueous solutes dissolved in nonpolar solvents, varying the concentration (cs) and the persistence length (Lp) of the surfactants is presented here. The influence of cs and Lp on the structural and dynamic properties of the aggregates is investigated through mesoscopic simulations carried out with the dissipative particle dynamics method. All simulations are performed at a fixed water/surfactant molecular ratio of 2:1, varying the surfactant concentration from c = 6 wt% up to c = 12 wt%, for increasing surfactants' rigidity from Lp = 0.73 nm up to Lp = 44.99 nm. It is found that there exists a collaborative interplay between cs and Lp that enhances the number of RMs assembled and their diffusion as carriers of water droplets. These results should be useful as guidelines to understand and improve processes where the RMs are implemented to carry aqueous solutes in nonpolar solvents.
本文研究了在非极性溶剂中，线性表面活性剂和单体水溶质自组装成反胶束（RMs）的过程，其中表面活性剂的浓度（cs）和持久性（Lp）发生了变化。通过使用耗散粒子动力学方法进行介观模拟，研究了 cs 和 Lp 对聚集物结构和动力学性质的影响。所有模拟均在固定的水/表面活性剂摩尔比为 2:1 的条件下进行，表面活性剂浓度从 c = 6 wt%增加到 c = 12 wt%，表面活性剂的刚性从 Lp = 0.73nm 增加到 Lp = 44.99nm。结果发现，cs 和 Lp 之间存在协同作用，增强了组装的 RMs 的数量及其作为携带水滴的载体的扩散性。这些结果可以作为指导，以帮助理解和改进在非极性溶剂中使用 RMs 来携带水溶质的过程。
