Mathematical Modelling of In Vitro Cinnamaldehyde Controlled Release via Computational Fluid Dynamic

Cinnamon is widely recognised for its distinct flavour and potential health benefits, making it an important subject of study in food and nutraceutical fields. To understand the mechanism of cinnamon flavour release as a fundamental step in its flavour perception from high-amylose corn starch microcapsules, the release of cinnamaldehyde under in vitro mouth conditions was studied using a 3D numerical model. Additionally, predicting cinnamaldehyde release in all three phases simultaneously was developed in COMSOL Multiphysics 5.6. To validate the developed model, cinnamaldehyde release profiles were prepared under simulated mouth conditions using headspace analysis by the SPME-GC–MS procedure. High R² (0.997) and low RMSE (1.78E-06) values, along with good convergence results, confirmed this simulation as a precise numerical model. The effects of cinnamaldehyde initial load, cinnamaldehyde diffusivity and shear rate were also probed, revealing the model to be more sensitive to the microcapsules' properties. This study provides a valuable framework for designing controlled release systems for flavouring agents, with significant implications for food and nutraceutical industries.