The removal of nitrogen monoxide from polluted air using CHA- and DDR-type zeolite membranes: Insights from molecular simulations

Highly efficient helium purification through a dual-membrane system: insights from molecular dynamics simulations

“…This method, which is current in the NAMD software to apply hydrostatic pressure on the system, has been extensively used in the literature. 31,[72][73][74][75] The following equation is employed to calculate the pushing force (F) on each gas molecule:…”

“…This method, which is current in the NAMD software to apply hydrostatic pressure on the system, has been extensively used in the literature. 31,72–75 The following equation is employed to calculate the pushing force ( F ) on each gas molecule:where A displays the membrane surface area (33.1 × 28.5 Å 2 ), Δ P indicates the applied pressure gradient on the system, and n is the total gas species on the feed section.…”

“…13 The choice of membrane material has a determining role in the separation performance. [29][30][31] A variety of membrane materials, including polymers, silica, zeolites, and metal-organic frameworks (MOFs), have been used for helium recovery from natural gas. 11,[32][33][34][35][36] Kanezashi et al 37 fabricated a nickel-doped silica membrane via sol-gel methods to recover helium from mixed gas within the temperature range of 50-300 1C.…”

Theoretical Study of CO2/N2 Gas Mixture Separation through a High-Silica PWN-type Zeolite Membrane

“…The amount of pushing force on each molecule is computed according to eq where F displays the amount of pushing force on each gas molecule in the direction perpendicular to the membrane, Δ P is the applied pressure up to 10 MPa, A is the membrane surface area (49.73 × 49.73 Å 2 ), and n shows the number of gas molecules. This method, which is common in the NAMD package, has been extensively used in the literature. − …”