Modelling and simulation of biohydrogen production from waste: Insights from anaerobic digestion and methane conversion

Abstract Efficient biohydrogen production from waste requires a clear understanding of both biogas generation and its subsequent conversion into hydrogen. This study develops a two‐stage modelling and simulation framework: (1) dynamic modelling of biogas formation in an anaerobic digester using Monod and Haldane kinetics, and (2) simulation of methane‐to‐hydrogen conversion and downstream gas separation. In Stage 1, the Monod‐based model predicted methane production with a 9.2% relative error (RE) under high‐temperature pretreatment conditions (180°C), showing slightly better agreement with experimental trends than the Haldane model (10.7% RE). In Stage 2, reactor temperature strongly influenced product composition, with hydrogen purity increasing from 49% at 500°C to 86% at 1000°C. The superior predictive performance of the simpler Monod model highlights its suitability for biogas modelling, while the simulation results illustrate the significant role of thermal conditions in hydrogen enrichment. Overall, this integrated modelling framework provides quantitative insights into both the biological and thermal stages of waste‐to‐hydrogen conversion, supporting the design and evaluation of biohydrogen systems.