Atomistic understanding of gas separation through nanoporous DDR-type zeolite membrane

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.…”

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

“…Zeolites, natural or synthetic, are wonderful materials because of their structural nanopores. Actually, the size of zeolite pores is at the molecular level, which makes them a suitable candidate for gas separation applications. − Thanks to their wonderful chemical and mechanical features, zeolites have shown an effective performance for gas separation, and now they are an interesting topic of many theoretical and experimental studies. − Compared to natural zeolites, synthetic ones are widely used in membrane-based separation technology because of their regular particle size and high purity . PWN (PST-29) is a new type of zeolite family, which consists of five building units including lta , d 8 r , pau , t - plg , and t - oto .…”

“…In this work, we explored the efficiency of a pure silica PWN-type (Si-PWN) zeolite membrane for N 2 /CO 2 separation. The technique of employing the pure silica form of zeolite was first reported by Diaz–Cabanas, and high-silica membrane was greatly preferred in gas separation studies. ,, The kinetic diameters of N 2 and CO 2 gases are quite close, which makes their separation challenging. Additionally, applying a new zeolite membrane system for specific separation is very difficult and needs detailed information on the complex transport mechanisms at the molecular level.…”