Efficient Encapsulation and Sustained Release of Linalyl Acetate Using Fractal Bimodal Mesoporous Silica

Linalyl acetate is a key bioactive component of essential oils with notable calming and sedative effects; however, its high volatility severely limits stability and practical application. Herein, bimodal mesoporous silica (BMMs) was employed as an efficient carrier to encapsulate linalyl acetate using liquid- and gas-phase loading strategies, enabling high loading capacity and sustained release. Under optimized gas-phase conditions (600 mg·mL^-1, 85 °C, 2 h), a maximum loading capacity of 80.13% was achieved. The X-ray diffraction (XRD) and small-angle X-ray scattering (SAXS) patterns, scanning electron microscopy (SEM) images, N₂ adsorption-desorption isotherms, Fourier transform infrared (FT-IR) spectra, and thermogravimetric (TG) performances confirmed the successful confinement of linalyl acetate within the bimodal mesoporous channels. Particularly, the SAXS patterns revealed the pronounced fractal characteristics, whereas the increased mass-fractal dimension (<i>D_m</i>) values indicated the enhanced structural compactness, and higher surface-fractal dimension (<i>D_s</i>) values reflected increased surface roughness upon loading. Release experiments conducted in an open environment demonstrated an excellent sustained-release performance, with only 22.41% of linalyl acetate released from BMMs over 30 days, compared with 94.41% for the free compound. Molecular dynamics simulations further elucidated that the interactions between linalyl acetate molecules and surface silanol groups dominated the adsorption process and governed diffusion within the mesoporous channels. These findings suggested that BMMs provide a robust platform for stabilizing volatile fragrance compounds and achieving long-term controlled release.