The role of surface chemistry on CO₂ adsorption in biomass-derived porous carbons by experimental results and molecular dynamics simulations.

ABSTRACT: Biomass-derived porous carbons have been considered one of the most effective adsorbents for CO₂ capture, due to their porous structure and high specific surface area. In this study, we successfully synthesized porous carbon from celery biomass and examined the effect of external adsorption parameters including time, temperature, and pressure on CO₂ uptake in experimental and molecular dynamics (MD) simulations. Furthermore, the influence of carbon's surface chemistry (carboxyl and hydroxyl functionalities) and nitrogen type on CO₂ capture were investigated utilizing MD simulations. The results showed that pyridinic nitrogen has a greater tendency to adsorb CO₂ than graphitic. It was found that the simultaneous presence of these two types of nitr

SUBMITTER: Khosrowshahi MS 

PROVIDER: S-EPMC9135713 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature