Abstract
Grand canonical Monte Carlo simulations were performed to study the occupancy of structure I multicomponent gas hydrates by CO2/CH4, CO2/N2, and N2/CH4 binary gas mixtures with various compositions at a temperature of 270 K and pressures up to 70 atm. The presence of nitrogen in the gas mixture allows for an increase of both the hydrate framework selectivity to CO2 and the amount of carbon dioxide encapsulated in hydrate cages, as compared to the CO2/CH4 hydrate. Despite the selectivity to CH4 molecules demonstrated by N2/CH4 hydrate, nitrogen can compete with methane if the gas mixture contains at least 70% of N2.
Highlights
OpenAccessGas hydrates are crystalline solids comprised of gas molecules enclosed in cavities of water lattice
It is possible to overcome this drawback by replacing pure carbon dioxide by its mixture with nitrogen [7], which is the predominant component of flue gas
For mixtures containing more than 70% of carbon dioxide a significant decrease in total occupancy was observed
Summary
OpenAccessGas hydrates are crystalline solids comprised of gas molecules enclosed in cavities of water lattice. Methane is known to form sI hydrates with a unit cell comprised of 46 water and 8 gas molecules located in 6 large (51262) and 2 small (512) cavities [2, 3]. Experimental studies have shown that the use of CO2/N2 mixtures leads to more efficient CH4 recovery, as compared to pure CO2 injection [7,8,9]. These findings have been recently verified by testing on the industrial scale [10]
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