Process Modeling and Optimization of a Catalytic Reactor for Syngas Production via Dry Reforming of Methane

Dry reforming of methane (DRM) represents a promising catalytic route for the co-utilization of two major greenhouse gases CH₄ and CO₂ to produce synthesis gas (syngas, H₂/CO), a versatile intermediate for Fischer-Tropsch synthesis and chemical manufacturing. Despite its thermodynamic favorability at elevated temperatures, the DRM process is challenged by severe catalyst deactivation through coke deposition and sintering, as well as significant endothermicity requiring precise thermal management. This study presents a steady-state process model of a DRM catalytic reactor developed in Aspen Plus, incorporating a rigorous plug flow reactor (PFR) module coupled with published Langmuir–Hinshelwood kinetic expressions for Ni-based catalysts. The model accounts for simultaneous occurrence of the reverse water-gas shift (RWGS) reaction and carbon formation pathways. A parametric study is performed over a temperature range of 700–950°C, pressures of 1-5 bar, and CH₄/ CO₂ feed ratios of 0.8–1.2 to evaluate their influence on CH₄ and CO₂ conversions, H₂/CO product ratio, and equilibrium carbon deposition tendency. Process optimization is subsequently conducted using a sensitivity analysis framework to maximize syngas yield while minimizing thermodynamic driving force for coking. Additionally, heat duty requirements and potential integration with a recuperative heat exchanger network are examined to assess the feasibility of energy-efficient operation. The simulation results are validated against published experimental benchmarks, demonstrating satisfactory agreement within ±8% deviation for conversion metrics. The findings provide a computational basis for the rational design and scale-up of DRM reactor systems, contributing to the broader development of sustainable chemical processes for carbon recycling.