The CO2 capture performance of four zeolitic imidazolate frameworks (ZIFs), ZIF-10, ZIF-71, ZIF-68 and ZIF-69, was investigated in the presence of SO2 using molecular simulations. Our results show that SO2 is preferentially adsorbed over CO2. However, it also shows a cooperative effect on CO2 adsorption. In ZIF-10 and ZIF-71, the SO2 presence was found to have almost no effect on CO2 adsorption...

The present studies deals with the adsorption of SO2 by manganese oxide i.e., Pyrulusite ore. Pyrulusite is used as an adsorbent for the present studies. It is found that the percentage removal of SO2 increases with the increase in contact time, follows first order kinetics and a unimolecular layer is formed during the process. The percentage removal of SO2 increases with increase in dosages an...

In this research, the effects of B, O and B&O−doped on the SO2 gas adsorption on the surface of the (4, 4) armchair AlNNTs are investigated by using DFT method. From optimized structures the geometrical and electrical properties, adsorption energy, gap energy, global hardness, electrical potential, HOMO−LUMO orbitals, density of states (DOS) plots, electrostatic potential (ESP) plots and NMR pa...

Palladium-based catalyst can be employed for natural gas exhaust clean up due to its high activity for light hydrocarbon oxidation. Unfortunately, trace amounts of sulfur in the natural gas feed severely deactivate the catalyst. In this paper, SO2 adsorption over a monolithic Pd/Al2O3 oxidation catalyst is monitored in a time-resolved manner in the presence of 100 ppm SO2 under simulated aging ...

The orientation and hydrogen bonding of water molecules in the vapor/water interfacial region in the presence of SO2 and CO2 gas are examined using vibrational sum-frequency spectroscopy (VSFS) to gain insight into the adsorption and reactions of these gases in atmospheric aerosols. The results show that an SO2 surface complex forms when the water surface is exposed to an atmosphere of SO2 gas....

MIL-101(Cr) has drawn much attention due to its high stability compared with other metal-organic frameworks. In this study, three trace flue gas contaminants (H2O, NO, SO2) were each added to a 10 vol% CO2/N2 feed flow and found to have a minimal impact on the adsorption capacity of CO2. In dynamic CO2 regeneration experiments, complete regeneration occurred in 10 min at 328 K for temperature s...

The adsorption and separation behavior of SO2-CO2, SO2-N2 and CO2-N2 binary mixtures in bundles of aligned double-walled carbon nanotubes is investigated using the grand-canonical Monte Carlo (GCMC) method and ideal adsorbed solution theory. Simulations were performed at 303 K with nanotubes of 3 nm inner diameter and various intertube distances. The results showed that the packing with an inte...

Honeycomb cordierite-based Mn–Ce/Al2O3 catalysts were prepared by the impregnation method and used for low-temperature selective catalytic reduction (SCR) of NOx with NH3, with and without SO2 and/or H2O in a homemade fixed-bed tubular reactor. The catalyst reached nearly 80% NOx conversion at 100 ◦C in the absence of SO2. However, SO2 reduces the catalytic activity (80% to 72%) of the honeycom...

We present a density functional theory investigation of the adsorption properties of NO and NO2 as well as SO2 and SO3 on BaO and Pt overlayers on anatase TiO2(001) surface. Monolayers, bilayers, and trilayers of BaO grow without strain-induced large scale reconstructions. While the bilayer and trilayer preserve, to a large extent, the NO2 adsorption characteristics of the clean BaO(100) surfac...

To decrease the operating cost of flue gas purification technologies based on carbon-based materials, the adsorption and regeneration performance of low-price semi-coke and activated coke were compared for SO2 and NO removal in a simulated flue gas. The functional groups of the two adsorbents before and after regeneration were characterized by a Fourier transform infrared (FTIR) spectrometer, a...