Kegl Tina, Paramasivan Balasubramanian, Maharaj Bikash Chandra
Faculty of Chemistry and Chemical Engineering, University of Maribor, 2000 Maribor, Slovenia.
Department of Biotechnology and Medical Engineering, National Institute of Technology Rourkela, Rourkela 769008, Odisha, India.
Bioengineering (Basel). 2025 Jan 26;12(2):117. doi: 10.3390/bioengineering12020117.
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 CH production by 5.4% and 13.5%, respectively, while H, HS, and NH decreased by 28.2%, 43.6%, and 42.5%, respectively.
厌氧消化（AD）是一种有前景但复杂的废物转化能源技术。为了优化这一过程，精确建模至关重要。开发复杂的、受机理启发的AD模型会产生大量需要校准的参数。本研究提出了一种新方法，该方法考虑了痕量金属（钙、钾、镁、钠、钴、铬、铜、铁、镍、铅和锌）在间歇式生物反应器中AD过程的建模、数值模拟和优化中的作用。在此背景下，通过纳入金属活性对化学、生化和物理化学过程的影响来增强生物模型。痕量金属相关参数也包含在所有模型参数的校准中。通过将模拟结果与实验数据进行比较，严格验证了模型的可靠性。研究表明，模型参数值5%的扰动会使模拟结果与实验结果之间的差异显著增加高达三倍。此外，该研究还强调了金属添加剂的精确优化如何提高沼气产量的数量和质量。痕量金属的最佳浓度分别使沼气和甲烷产量提高了5.4%和13.5%，而氢气、硫化氢和氨气分别降低了28.2%、43.6%和42.5%。
