Modeling for nanoparticle-stabilized, robust small-domain bicontinuous emulsions

摘要

An ideal interfacial microreactor requires a large interfacial area and robust mechanical properties. Bicontinuous emulsion gels, facilitating reactions at the interface of immiscible fluids, are promising candidates, yet their structural stability remains a challenge. A key issue lies in balancing small domain sizes with mechanical strength, hindered by the inherent trade-off between interfacial free-energy reduction and domain-size minimization. Using coarse-grained molecular dynamics, we compared two surfactant systems: in situ-formed nanoparticlepolymer surfactants (NP-PL surfactants) and Janus nanoparticle surfactants (Janus NPs). Our study presents distinct structural evolution pathways and their impact on gel properties. While some Janus NPs may assemble into micelle-like structures that do not contribute to the bicontinuous network, both surfactants enable small domain sizes (∼200 nm), further reducible with increased concentration. Notably, NP-PL surfactants yield gels with superior thermal and kinetic stability, making them more viable for continuous microreactor applications. These findings offer insights for optimizing bicontinuous emulsion gels as effective microreactors.

出版物
The Journal of Chemical Physics
李子怡
李子怡
博士;博士一年级

越努力,越幸运。

朱有亮
朱有亮
研究员

研究方向包括高分子/超分子的大尺度分子动力学模拟方法和软件、高分子材料力学性能的分子机理、共价有机框架的生长动力学等。