Transport Properties of Light Gases in Nanochannels of L–Leu‐L‐Ser Dipeptide Crystals: A Comparative Study by Molecular Dynamics Simulations

Abstract

AbstractDipeptide crystals are stable microporous organic materials which have shown potential to be applied on storage and selective separation techniques with lower environmental impact than other traditional inorganic materials. We present a Molecular Dynamics study on the flow of gas molecules, namely Ar, N2, O2, CH4, CO and CO2 through porous L–Leucyl‐L‐Serine (LS) crystals, at 298 K and elevated pressures, when nanochannels are under saturation conditions.