Comparative simulation study of methanol production by CO2 hydrogenation with 3A, 4A and 5A zeolites as adsorbents in a PSA reactor

In this work, the performance of 3A, 4A and 5A zeolites in a PSA reactor to obtain methanol by CO2 hydrogenation has been compared by numerical simulation. Henry's constants of adsorption and the reciprocal diffusion time constants of water and methanol in these adsorbents have been measured in the reaction temperature range (200-350 degrees C) to simulate their performance using a zeolite/Cu-ZnO-Al2O3 catalyst mixture. A new cycle has been proposed for PSA reactors including a complete recirculation of heavy product, without using a purge. The best performance is obtained with 3A zeolite, having the lower water and methanol affinities facilitating bed regeneration. With the proposed process, methanol can be produced from CO2 hydrogenation at 250 degrees C and 50 bar with a conversion of 99.6% in one step, a selectivity of 83-96%, and productivities of 0.023-0.13 mol m(3) s(-1). The process has minimal loss of H-2 in the form of water (1 mol H2O/mole converted CO2).

Automated summary

The performance of 3A, 4A, and 5A zeolites in a PSA reactor for methanol production via CO2 hydrogenation was compared through numerical simulation. It was found that 3A zeolite exhibited the best performance, leading to high conversion rates and selectivity with minimal loss of hydrogen. The proposed process allows for methanol production at 250°C and 50 bar with a conversion rate of 99.6% and selectivity of 83-96%.