ArticleFoods (Basel, Switzerland)2026
Kinetic Simulation of Lipid Oxidation and Lycopene Antioxidant Activity in Tomato Pomace Using ANSYS Chemkin.
Article in Foods (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
This study investigates the kinetics of lipid oxidation and the antioxidant activity of lycopene in tomato pomace using a combined computational-experimental approach. A reaction mechanism describing initiation, propagation, hydroperoxide formation, and radical scavenging was implemented in ANSYS Chemkin 2025 R2 and simulated under controlled conditions at 50, 70, and 90 °C for up to 12 h. The model was validated using experimental measurements of linoleic acid, lycopene, and hexanal obtained from thermally treated tomato pomace. The results showed a strong temperature dependence of oxidation processes, with minimal changes at 50 °C and a transition to a propagation-dominated regime at 90 °C. Linoleic acid degradation reached 18.17% after 12 h at 90 °C, accompanied by a significant increase in hexanal formation, while lycopene loss remained below 5%. The model accurately reproduced experimental trends, with high correlation coefficients (R
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