Chain architecture and micellization: a mean-field coarse-grained model for poly(ethylene oxide) alkyl ether surfactants.

摘要: Microscopic modeling of surfactant systems is expected to be an important tool describe, understand, and take full advantage the micellization process for different molecular architectures. Here, we implement a single chain mean field theory study relevant equilibrium properties such as critical micelle concentration (CMC) aggregation number three sets surfactants with geometries maintaining constant hydrophobic hydrophilic monomers. The results demonstrate direct effect block organization under by means analysis excess energy entropy which can accurately determined from mean-field scheme. Our reveals that CMC values are sensitive branching in head part observed entropy-enthalpy balance, while numbers also affected splitting tail manifested slight changes packing entropy.