Atom implantation in graphene or graphene nanoribbons offers a rich opportunity to tune the material structure and functional properties. In this study, zigzag graphene nanoribbons with Ti or Sn adatoms stabilised on a double carbon vacancy site are theoretically studied to investigate their sensitivity to sulfur-containing gases (H2S and SO2). Due to the abundance of oxygen in the atmosphere, ...

The modelling of the in-duct desulfurization process at low temperatures was performed from data obtained in an entrained flow reactor at laboratory scale. Two modelling approaches were used for the process description under in-duct conditions in the reactor: (i) the application of the grain model to a single particle along the reactor, and (ii) a non-ideal adsorption equation for the gas–solid...

The interaction of pure graphene nano sheet and Al-doped with SO2 pollutant gas molecules was examined by density functional theory (DFT). Adsorption energies the transferred Mulliken charge were calculated. Doping Al on improved adsorption electronic properties graphene. Dos plots HOMO-LUMO band gaps showed that semiconductor materials. results revealed sensitivity graphene-based materials enh...

The search for adsorbents flue gas desulfurization processes is a current interest. For the first time, comparative experimental study of SO2 adsorption by porous materials including prototypical metal–organic frameworks NH2-MIL-101(Cr), Basolite F300 (Fe-1,3,5-BTC), HKUST-1 (Cu-BTC), zeolitic imidazolate (ZIF)-8, ZIF-67, alumosilicate Zeolite Y, silicoaluminumphosphate (SAPO)-34, Silica gel 60...

This paper presents the results of sorption tests against selected gaseous pollutants SO2, CO2 and H2O on geopolymer materials obtained from high-calcium fly ash lignite power generation. In synthesis process, activation was carried out using KOH NaOH. It found that activating agent significantly affects porous structure samples. The experiments conducted for KOH-activated sample showed high SO...

Samples of active coke, fresh and spent after cleaning flue gases from communal waste incinerators, were investigated. The outer layers of both coke particles were separately removed by comminution in a spouted bed. The samples of both active cokes were analysed by means of densities, mercury porosimetry, and adsorption technique. Remaining cores were examined to determine the degree of consump...

Selective catalytic reduction of NOx from mobile source over Cu-SAPO-34 catalysts always suffer sulfur poisoning in practical applications. The pore blockage and loss active Cu species after seriously damage the ability catalysts. In this work, we used SO42--coordinated to improve resistance, which can still maintain 90% NO conversion 24 h reaction an SCR feed with high concentration SO2. A ser...