Effects of Structure and Composition of Adsorbents on Competitive Adsorption of Gaseous Emissions: Experiment and Modeling

• DOI: 10.3390/nano13040724
• Publication Date: 2023-02-14T07:41:56Z
• Authors: Adam Verner; Jonáš Tokarský; Tomáš Najser; Lenka Matějová; Kateřina Mamulová...; Jan Kielar; Václav Peer
• Keywords: Chemistry; molecular modeling; 13. Climate action; gaseous emission; morphology; 02 engineering and technology; 0210 nano-technology; QD1-999; 7. Clean energy; competitive adsorption; adsorbent structure; Article

Dangerous gases arising from combustion processes must be removed the air simply and cheaply, e.g., by adsorption. This work is focused on competitive adsorption experiments force field-based molecular modeling of interactions at level. Emission gas, containing CO, NO, SO2, CO2, was adsorbed activated carbon, clay mineral, silicon dioxide, cellulose, or polypropylene two different temperatures. At 20 °C, carbon had highest NO SO2 capacity (120.83 3549.61 μg/g, respectively). 110 (6.20 1182.46 respectively) observed for clay. CO very weakly, CO2 not all. better than which correlated with results showing positive influence carboxyl hydroxyl functional groups In addition to wide range adsorbents, main novelty this study strategy enabling simulation surfaces pores controllable sizes shapes, agreement achieved obtained more computationally demanding methods. Moreover, experimental data shows a valuable tool further studies.