Digital Twin Approach toward the Design, Optimization, and Control of a Catalytic System for High-Purity Hydrogen Production from Biogas

This study presents the development and validation of a digital twin (DT) model for a pilot-scale catalytic reforming system (CRS) that encompasses steam methane reforming (SMR) and a water–gas shift (WGS) reactor. The CRS is part of an integrated pilot-scale system that includes an anaerobic digester (AD), a gas-cleaning unit (GCU), and a pressure swing adsorption (PSA) unit designed to produce high-purity hydrogen from waste biomass. The proposed DT integrates real-time sensor data of temperature, pressure, flow rates, and gas compositions with a physics-informed simulation framework developed by employing MATLAB and LABVIEW. The DT model assesses key performance indicators (KPI) such as the hydrogen yield, thermal efficiency, and energy consumption. Experimental validation confirmed strong agreement with measured data, showing RMSE values of 12.5 °C for reformer temperatures, 13.9 °C for WGS reactor temperatures, 1.9% for hydrogen yield, and 2.4% for CO2 selectivity. The DT enabled real-time monitoring, performance forecasting, and optimization, highlighting its potential for predictive maintenance and intelligent control. This work lays the foundation for scaling up waste biomass-to-hydrogen production systems and integrating advanced carbon capture and renewable power strategies to enhance sustainability and economic viability.