Revealing Zeolites Active Sites Role as Kinetic Hydrate Promoters: Combined Computational and Experimental Study

Clathrate hydrates are emerging as a novel storage medium for safe and compact methane storage. However, their industrial-scale applicability is hindered by relatively lower gas uptake sluggish formation kinetics. In this study, we have employed zeolites with acidic (H–Y, FAU-type) basic (Na–X, surface properties kinetic hydrate promoters (KHPs). The impact of physical parameters pressure the gas-to-liquid ratio has also been studied. combined experimental computational assessed performance two types in different concentrations pressures binary CH4–THF clathrate synthesis nonstirred configuration. study results showed that zeolite (H–Y) exhibited superior over one (Na–X), reaching its optimum at 0.5 wt % zeolite, which agreed well DFT calculations. conversion reached 94.25% concentration mild (6 MP). induction time t90 (time to reach 90% final uptake) were reduced 35% 31%, respectively. Our open door better understanding role possible environmental benign KHPs can help utilization water green energy transportation.