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- W4306407487 abstract "The separation of propane/propylene mixtures remains a subject under intensive research because designing cheaper, greener and sustainable processes is of paramount importance to industry. Dipeptides crystallize into several lattices displaying a variety of porosities that enable the separation of species with approximate size. In this study, we show that microporous crystals of L-Isoleucyl– l -Valine (IV) and L-Valyl- l -Isoleucine (VI) are able to distinguish between methane, propane and propylene. Adsorption equilibrium isotherms were determined and coupled with Molecular Dynamics simulations for computing diffusion and loading of binary mixtures of relevant gases in the dipeptide frameworks to obtain kinetic and equilibrium gas mixtures selectivities. It was found that although the pore diameters in both dipeptide crystals are similar, VI has a higher permselective separation of propane/propylene mixtures displaying a maximum ideal permselectivity of α P(C3H6)/C3/H8) = 1.3. • MD simulations were used to study gas permeation through dipeptide crystals. • Behaviour of gases diffusion through membrane are shown at molecular level. • Gas permeations for single and binary mixtures of gas systems are analysed by MD simulation. • Theoretical predictions of selectivities show promising performance of VI crystals for C3H6/C3H8 mixture." @default.
- W4306407487 created "2022-10-17" @default.
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- W4306407487 date "2022-11-01" @default.
- W4306407487 modified "2023-10-16" @default.
- W4306407487 title "Selective adsorption and separation of light hydrocarbon gases in VI/IV dipeptide crystals" @default.
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- W4306407487 doi "https://doi.org/10.1016/j.micromeso.2022.112284" @default.
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