A Comprehensive Analysis of Reactor Modeling Studies for the Methanation of Carbon Oxides

This work presents a comprehensive analysis of reactor modeling studies for the methanation of COx, with the aim of identifying trends, evaluating modeling strategies, and suggesting a generalized modeling framework. The analysis spans a wide range of configurations, including packed/fixed-bed reactors (immobilized catalyst pellets/particles), fluidized-bed reactors, and structured catalyst reactors, as well as membrane and slurry/bubble-column configurations when applicable. This highlights the diversity of modeling approaches used, ranging from simple 1D pseudo-homogeneous models to complex 2D heterogeneous simulations. Emphasis is placed on the governing assumptions, dimensional formulations, transport phenomena, and kinetic models employed across studies. By systematically comparing these models, this work identifies the most critical modeling assumptions and parameters that govern the prediction reliability of reactor performance (e.g., conversion and temperature profiles) and inform reactor design. The proposed reactor model integrates insights from the literature, balancing model fidelity and computational feasibility, and serves as a foundational tool for future modeling efforts and industrial applications. This work contributes to the field by offering a unified perspective that links model complexity to physical realism, providing valuable guidance in the development of predictive tools for COx methanation systems.