Thermodynamic Insight in Design of Methanation Reactor with Water Removal Considering Nexus between CO2 Conversion and Irreversibilities

The inevitable nexus between energy use and CO2 emission necessitates the development of sustainable energy systems. The conversion of CO2 to CH4 using green H2 in power-to-gas applications in such energy systems has attracted much interest. In this context, the present study provides a thermodynamic insight into the effect of water removal on CO2 conversion and irreversibility within a CO2 methanation reactor. A fixed-bed reactor with one intermediate water removal point, representing two reactors in series, was modeled by a one-dimensional pseudo-homogeneous model. Pure CO2 or a mixture of CO2 and methane, representing a typical biogas mixture, were used as feed. For short reactors, both the maximum conversion and the largest irreversibilities were observed when the water removal point was located in the middle of the reactor. However, as the length of the reactor increased, the water removal point with the highest conversion was shifted towards the end of the reactor, accompanied by a smaller thermodynamic penalty. The largest irreversibilities in long reactors were obtained when water removal took place closer to the inlet of the reactor. The study discusses the potential benefit of partial water removal and reactant feeding for energy-efficient reactor design.