Evolution mechanism of microstructure and thermal properties in binary fatty acid nanoencapsulated phase change materials

Nanoencapsulated phase change materials hold broad application prospects in the thermal management of electronic devices and energy storage. A binary fatty acid nanoencapsulated phase change materials system was constructed with different ratios of decanoic acid-lauric acid as the core material and SiO 2 as the shell. The phase transition, microstructural evolution and thermal transport properties were evaluated based on a rigorous multi-scale validation framework integrating atomistic molecular dynamics simulations with macroscopic experimental characterizations by quantitative interfacial characterization. SiO 2 shell restructured the spatial distribution of the core material through interfacial interactions, fabricated an ordered core-shell mesoscopic structure. An increased phase transition temperature emerged since core atoms could overcome higher energy barrier, thereby improving the thermal stability of the nanoencapsulated phase change materials. The nanoencapsulated phase change materials had higher thermal conductivity while keeping a suitable phase transition temperature. Nanoencapsulated phase change materials effectively prevented leakage and successfully preserved the inherent energy storage density of the core. This work elucidates the crucial role of microstructure regulation in determining macroscopic thermal properties, providing important theoretical and methodological support for the rational design of high-performance nanoencapsulated phase change materials and their application in the efficient thermal management of electronic devices.