Optimization of Operating Conditions for CO2 Methanation Process Using Design of Experiments

Abstract

In this study, the Taguchi experimental design method using an L16 orthogonal array was attempted in order to investigate the optimal operating conditions for the CO2 methanation process in Ni-based catalysts. The relative influence of the main factors affecting CO2 conversion and CH4 yield was ranked as follows: reactor pressure > space velocity > reaction temperature. The optimal combination of operating conditions was a reactor temperature of 315 °C, a pressure of 19 bar, and a space velocity of 6000 h−1. The effect of the H2/CO2 ratio on CO2 conversion and CH4 yield was further considered under these optimal operating conditions. Moreover, the catalyst was characterized in order to investigate the production of coke through Brunauer–Emmett–Teller analysis, thermogravimetric analysis, and scanning electron microscopy. The amount of coke produced after the reaction for approximately 24 h was ~2 wt.%. Therefore, the desired CH4 yield and long-term operational stability were successfully obtained using the Taguchi design method and catalyst characterization.

Balancing computational chemistry's potential with its environmental impact

“…DoE can reduce the number of experiments required to find more optimal reaction conditions, such as identifying more effective conditions for CO 2 to CO conversion, 81 electrochemical CO 2 reduction, 82 solventbased CO 2 capture systems, 83 and CO 2 methanation. 84 One popular alternative to DOE is Bayesian optimization (BO), which is a sequential model-based technique that aims to find the global optimum of a black-box function by selecting the next reaction parameters to be evaluated based on the previous observations and a probabilistic model, socalled surrogate model. The new parameters are chosen to strike a balance between exploitation, using the already run experiments to select promising points, and exploration to improve the model's accuracy in unknown regions.…”

“…DoE can reduce the number of experiments required to find more optimal reaction conditions, such as identifying more effective conditions for CO 2 to CO conversion, 81 electrochemical CO 2 reduction, 82 solvent-based CO 2 capture systems, 83 and CO 2 methanation. 84…”

Predictive Modeling of Co2 Methanation Reaction for Carbon Capture

“…The input gases required for methane production from CO2 are CO2 and H2. The methanation of CO2 is an exothermic catalytic reaction and is typically operated at temperatures between 250°C and 4000°C [12] depending on the catalyst used:…”