In this work, a systematic molecular simulation study was performed to compare the separation of CO2/N2 and CH4/N2 mixtures in two different classes of nanoporous materials, zeolites, and metal-organic frameworks (MOFs). For this purpose, three zeolites (MFI, LTA, and DDR) and seven MOFs (Cu-BTC, MIL-47 (V), IRMOF-1, IRMOF-12, IRMOF-14, IRMOF-11, and IRMOF-13) were chosen as the representatives...

DOR and MQMAS NMR techniques were applied in the high field of 17.6 T to the study of several oxygen-17 enriched zeolites with the ratio Si/Al = 1. The tendency that the isotropic chemical shift of the O NMR decreases with increasing bond angle (or s-character of the oxygen hybrid orbital) was confirmed by this study. A quite linear correlation exists for the oxygen sites in the zeolites A and ...

Molecular simulations have been used to investigate at the molecular level the suitability of zeolites with different topology on the adsorption, diffusion and separation of a nitrogen-sulfur hexafluoride mixture containing the latter at low concentration. This mixture represents the best alternative for the sulfur hexafluoride in industry since it reduces the use of this powerful greenhouse ga...

Adsorption of 1-propanethiol on Co and Cd modified, synthetic (3A, 4A and 13X) zeolites were studied by FTIR (Fourier Transform Infrared) spectroscopy and SEM-EDX (Scanning Electron Microscope-Energy Dispersive X-Ray) graphics. Amount of metal cations on mentioned zeolites was measured by AAS (Atomic Absorption Spectrometer). Based on divalent cations of zeolites, it was assumed that cations ma...

In this paper, the utilisation of zeolites synthesised from fly ash (FA) and related co-disposal filtrates as low-cost adsorbent material were investigated. When raw FA and co-disposal filtrates were subjected to alkaline hydrothermal zeolite synthesis, the zeolites faujasite, sodalite and zeolite A were formed. The synthesised zeolites were explored to establish its ability to remove lead and ...