20.500.12556/DKUM-91723 Mathematical model-based optimization of trace metal dosage in anaerobic batch bioreactors Anaerobic digestion (AD) is a promising and yet a complex waste-to-energy technology. To optimize such a process, precise modeling is essential. Developing complex, mechanistically inspired AD models can result in an overwhelming number of parameters that require calibration. This study presents a novel approach that considers the role of trace metals (Ca, K, Mg, Na, Co, Cr, Cu, Fe, Ni, Pb, and Zn) in the modeling, numerical simulation, and optimization of the AD process in a batch bioreactor. In this context, BioModel is enhanced by incorporating the influence of metal activities on chemical, biochemical, and physicochemical processes. Trace metal-related parameters are also included in the calibration of all model parameters. The model’s reliability is rigorously validated by comparing simulation results with experimental data. The study reveals that perturbations of 5% in model parameter values significantly increase the discrepancy between simulated and experimental results up to threefold. Additionally, the study highlights how precise optimization of metal additives can enhance both the quantity and quality of biogas production. The optimal concentrations of trace metals increased biogas and CH4 production by 5.4% and 13.5%, respectively, while H2, H2S, and NH3 decreased by 28.2%, 43.6%, and 42.5%, respectively. anaerobic digestion batch bioreactor methane production model parameters calibration active set optimization method perturbation of model parameter gradient based optimization trace metals anaerobna digestija bioreaktorji proizvodnja metana gradientna optimizacija true true false MDPI Angleški jezik Slovenski jezik https://www.mdpi.com/2306-5354/12/2/117 © 2025 by the authors Članek v reviji 2025-01-30 13:36:37 2025-01-30 13:36:37 2025-01-31 03:11:17 0000-00-00 00:00:00 2025 0 0 22 str. no. 2, [art. no.] 117 Vol. 12 2025 0000-00-00 Zaloznikova Objavljeno NiDoloceno 2025-01-21 2025-01-23 2025-01-26 66 224480003 10.3390/bioengineering12020117 2306-5354 bioengineering-12-00117-v2.pdf bioengineering-12-00117-v2.pdf 1 32CFA929A9FBB8C1C1B21699F677A718 0bc128d1fa93019db2f48f0f39d14cce630fc2a41a422f77c1342e8ffb77a895 29b67cbe-df07-11ef-8abf-00155d000105 https://dk.um.si/Dokument.php?lang=slv&id=188335 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0