CFD Development of a Silica Membrane Reactor during HI Decomposition Reaction Coupling with CO(2) Methanation at Sulfur–Iodine Cycle

In this work, a novel structure of a hydrogen-membrane reactor coupling HI decomposition and CO(2) methanation was proposed, and it was based on the adoption of silica membranes instead of metallic, according to their ever more consistent utilization as nanomaterial for hydrogen separation/purification. A 2D model was built up and the effects of feed flow rate, sweep gas flow rate and reaction pressure were examined by CFD simulation. This work well proves the feasibility and advantage of the membrane reactor that integrates HI decomposition and CO(2) methanation reactions. Indeed, two membrane reactor systems were compared: on one hand, a simple membrane reactor without proceeding towards any CO(2) methanation reaction; on the other hand, a membrane reactor coupling the HI decomposition with the CO(2) methanation reaction. The simulations demonstrated that the hydrogen recovery in the first membrane reactor was higher than the methanation membrane reactor. This was due to the consumption of hydrogen during the CO(2) methanation reaction, occurring in the permeate side of the second membrane reactor system, which lowered the amount of hydrogen recovered in the outlet streams. After model validation, this theoretical study allows one to evaluate the effect of different operating parameters on the performance of both the membrane reactors, such as the pressure variation between 1 and 5 bar, the feed flow rate between 10 and 50 mm(3)/s and the sweep gas flow rate between 166.6 and 833.3 mm(3)/s. The theoretical predictions demonstrated that the best results in terms of HI conversion were 74.5% for the methanation membrane reactor and 67% for the simple membrane reactor.